Home Description Output legend Molecular Dynamics

MT-ND1 (AA64T) vs. MT-ND3 (SB45P)

Classic molecular dynamics






Essential molecular dynamics

AA64T
-212.9
196.94
SB45P
-225.4
196.1
WT
-207.6
174.36
AA64T-SB45P
-207.6
174.36



Analysis of inter-protein binding energy (H-bonds through the interface)

Legend: position:protein:residue(atom)-position:protein residue(atom)

AA64T
Donor-Acceptor Occupancy (%)
318 MT-ND1:THR(HG1) - 317 MT-ND1:GLN( O ) 21.8
318 MT-ND1:THR(HG1) - 316 MT-ND1:PRO( O ) 15.4
317 MT-ND1:GLN(E21) - 77 MT-ND3:TRP( O ) 22.0
309 MT-ND1:ILE( H ) - 306 MT-ND1:SER( O ) 86.0
306 MT-ND1:SER(HG ) - 302 MT-ND1:MET( O ) 53.6
306 MT-ND1:SER( H ) - 302 MT-ND1:MET( O ) 40.6
305 MT-ND1:VAL( H ) - 301 MT-ND1:LEU( O ) 89.6
302 MT-ND1:MET( H ) - 298 MT-ND1:LEU( O ) 92.6
298 MT-ND1:LEU( H ) - 294 MT-ND1:LEU( O ) 95.0
292 MT-ND1:ASN(D21) - 291 MT-ND1:LYS( O ) 15.6
292 MT-ND1:ASN(D21) - 287 MT-ND1:HIS( O ) 63.8
291 MT-ND1:LYS(HZ1) - 287 MT-ND1:HIS(ND1) 18.2
291 MT-ND1:LYS(HZ1) - 112 MT-ND3:ASP(OD2) 43.4
291 MT-ND1:LYS(HZ1) - 112 MT-ND3:ASP(OD1) 40.6
291 MT-ND1:LYS( H ) - 287 MT-ND1:HIS( O ) 50.4
290 MT-ND1:TRP( H ) - 286 MT-ND1:MET( O ) 77.0
287 MT-ND1:HIS(HE2) - 292 MT-ND1:ASN(ND2) 23.6
287 MT-ND1:HIS( H ) - 283 MT-ND1:ASP( O ) 67.2
286 MT-ND1:MET( H ) - 282 MT-ND1:TYR( O ) 87.2
222 MT-ND1:LEU( H ) - 219 MT-ND1:PRO( O ) 31.0
159 MT-ND1:SER(HG ) - 318 MT-ND1:THR(OXT) 13.0
159 MT-ND1:SER(HG ) - 318 MT-ND1:THR( O ) 30.4
155 MT-ND1:LEU( H ) - 151 MT-ND1:LEU( O ) 60.2
151 MT-ND1:LEU( H ) - 147 MT-ND1:ALA( O ) 97.0
148 MT-ND1:ILE( H ) - 144 MT-ND1:VAL( O ) 79.0
147 MT-ND1:ALA( H ) - 143 MT-ND1:GLU( O ) 79.6
144 MT-ND1:VAL( H ) - 140 MT-ND1:ILE( O ) 65.4
141 MT-ND1:SER(HG ) - 137 MT-ND1:ALA( O ) 92.2
141 MT-ND1:SER( H ) - 137 MT-ND1:ALA( O ) 81.2
137 MT-ND1:ALA( H ) - 133 MT-ND1:LEU( O ) 84.2
133 MT-ND1:LEU( H ) - 129 MT-ND1:LEU( O ) 89.2
129 MT-ND1:LEU( H ) - 125 MT-ND1:SER( O ) 88.6
126 MT-ND1:ASN(D21) - 38 MT-ND3:GLU(OE2) 10.0
126 MT-ND1:ASN(D21) - 38 MT-ND3:GLU(OE1) 13.0
125 MT-ND1:SER(HG ) - 214 MT-ND1:GLU(OE2) 36.4
125 MT-ND1:SER(HG ) - 214 MT-ND1:GLU(OE1) 35.2
124 MT-ND1:ASN( H ) - 121 MT-ND1:TRP( O ) 91.2
104 MT-ND1:PHE( H ) - 100 MT-ND1:LEU( O ) 80.0
103 MT-ND1:LEU( H ) - 100 MT-ND1:LEU( O ) 32.8
98 MT-ND1:LEU( H ) - 96 MT-ND1:VAL( O ) 15.6
96 MT-ND1:VAL( H ) - 87 MT-ND1:THR( O ) 67.0
95 MT-ND1:LEU( H ) - 87 MT-ND1:THR( O ) 55.2
87 MT-ND1:THR(HG1) - 84 MT-ND1:LEU( O ) 99.2
87 MT-ND1:THR( H ) - 84 MT-ND1:LEU( O ) 79.2
84 MT-ND1:LEU( H ) - 80 MT-ND1:THR( O ) 43.4
83 MT-ND1:LEU( H ) - 79 MT-ND1:LEU( O ) 92.6
80 MT-ND1:THR(HG1) - 76 MT-ND1:THR( O ) 93.0
80 MT-ND1:THR( H ) - 76 MT-ND1:THR( O ) 83.8
79 MT-ND1:LEU( H ) - 75 MT-ND1:PRO( O ) 93.2
76 MT-ND1:THR(HG1) - 72 MT-ND1:ILE( O ) 96.8
76 MT-ND1:THR( H ) - 72 MT-ND1:ILE( O ) 35.6
71 MT-ND1:TYR(HH ) - 214 MT-ND1:GLU( O ) 42.6
64 MT-ND1:ALA( H ) - 34 MT-ND3:SER( O ) 32.4
62 MT-ND1:LYS( H ) - 60 MT-ND1:PRO( O ) 19.6
59 MT-ND1:GLU( H ) - 59 MT-ND1:GLU(OE2) 12.0
59 MT-ND1:GLU( H ) - 59 MT-ND1:GLU(OE1) 17.0
10 MT-ND1:ILE( H ) - 6 MT-ND1:LEU( O ) 96.6
7 MT-ND1:LEU( H ) - 3 MT-ND1:MET( O ) 67.6
6 MT-ND1:LEU( H ) - 2 MT-ND1:PRO( O ) 91.2
106 MT-ND3:TRP( H ) - 102 MT-ND3:LEU( O ) 88.4
102 MT-ND3:LEU( H ) - 98 MT-ND3:LEU( O ) 89.4
99 MT-ND3:ALA( H ) - 95 MT-ND3:ILE( O ) 90.4
96 MT-ND3:ILE( H ) - 92 MT-ND3:LEU( O ) 90.4
95 MT-ND3:ILE( H ) - 91 MT-ND3:SER( O ) 96.0
92 MT-ND3:LEU( H ) - 88 MT-ND3:VAL( O ) 95.4
91 MT-ND3:SER(HG ) - 87 MT-ND3:MET( O ) 95.0
91 MT-ND3:SER( H ) - 87 MT-ND3:MET( O ) 89.2
88 MT-ND3:VAL( H ) - 84 MT-ND3:LEU( O ) 98.0
80 MT-ND3:GLN(E21) - 318 MT-ND1:THR(OG1) 24.6
80 MT-ND3:GLN(E21) - 315 MT-ND1:PRO( O ) 79.0
80 MT-ND3:GLN( H ) - 77 MT-ND3:TRP( O ) 52.0
79 MT-ND3:LEU( H ) - 75 MT-ND3:LEU( O ) 39.4
75 MT-ND3:LEU( H ) - 72 MT-ND3:LEU( O ) 93.2
73 MT-ND3:LEU( H ) - 69 MT-ND3:ILE( O ) 69.2
72 MT-ND3:LEU( H ) - 69 MT-ND3:ILE( O ) 44.2
69 MT-ND3:ILE( H ) - 65 MT-ND3:PHE( O ) 84.8
66 MT-ND3:ASP( H ) - 62 MT-ND3:PHE( O ) 36.6
65 MT-ND3:PHE( H ) - 62 MT-ND3:PHE( O ) 21.6
65 MT-ND3:PHE( H ) - 61 MT-ND3:THR( O ) 45.8
62 MT-ND3:PHE( H ) - 59 MT-ND3:ALA( O ) 16.8
62 MT-ND3:PHE( H ) - 58 MT-ND3:VAL( O ) 62.0
61 MT-ND3:THR(HG1) - 58 MT-ND3:VAL( O ) 34.6
61 MT-ND3:THR( H ) - 58 MT-ND3:VAL( O ) 24.6
59 MT-ND3:ALA( H ) - 55 MT-ND3:PHE( O ) 81.8
58 MT-ND3:VAL( H ) - 55 MT-ND3:PHE( O ) 19.0
47 MT-ND3:ALA( H ) - 124 MT-ND1:ASN( O ) 44.0
39 MT-ND3:CYS( H ) - 127 MT-ND1:TYR(OH ) 16.6
33 MT-ND3:LYS(HZ1) - 59 MT-ND1:GLU(OE2) 18.0
33 MT-ND3:LYS(HZ1) - 59 MT-ND1:GLU(OE1) 22.8
27 MT-ND3:LEU( H ) - 25 MT-ND3:PRO( O ) 21.0
24 MT-ND3:LEU( H ) - 20 MT-ND3:ILE( O ) 87.8
22 MT-ND3:PHE( H ) - 18 MT-ND3:MET( O ) 28.6
21 MT-ND3:THR(HG1) - 18 MT-ND3:MET( O ) 10.4
21 MT-ND3:THR(HG1) - 17 MT-ND3:LEU( O ) 82.6
21 MT-ND3:THR( H ) - 17 MT-ND3:LEU( O ) 91.6
18 MT-ND3:MET( H ) - 14 MT-ND3:ALA( O ) 81.0
17 MT-ND3:LEU( H ) - 13 MT-ND3:LEU( O ) 76.6
15 MT-ND3:LEU( H ) - 11 MT-ND3:THR( O ) 95.0
14 MT-ND3:ALA( H ) - 10 MT-ND3:ASN( O ) 92.2
13 MT-ND3:LEU( H ) - 9 MT-ND3:THR( O ) 91.8
11 MT-ND3:THR(HG1) - 7 MT-ND3:LEU( O ) 92.2
11 MT-ND3:THR( H ) - 7 MT-ND3:LEU( O ) 90.6
10 MT-ND3:ASN(D21) - 80 MT-ND1:THR( O ) 52.2
10 MT-ND3:ASN(D21) - 6 MT-ND3:ILE( O ) 18.6
10 MT-ND3:ASN( H ) - 6 MT-ND3:ILE( O ) 98.8
9 MT-ND3:THR(HG1) - 5 MT-ND3:LEU( O ) 98.2
9 MT-ND3:THR( H ) - 5 MT-ND3:LEU( O ) 79.6
7 MT-ND3:LEU( H ) - 3 MT-ND3:PHE( O ) 97.0
6 MT-ND3:ILE( H ) - 2 MT-ND3:ASN( O ) 88.8
2 MT-ND3:ASN(D21) - 95 MT-ND1:LEU( O ) 53.6
SB45P
Donor-Acceptor Occupancy (%)
318 MT-ND1:THR(HG1) - 318 MT-ND1:THR( O ) 16.4
318 MT-ND1:THR(HG1) - 315 MT-ND1:PRO( O ) 15.8
318 MT-ND1:THR( H ) - 315 MT-ND1:PRO( O ) 12.0
309 MT-ND1:ILE( H ) - 306 MT-ND1:SER( O ) 83.6
306 MT-ND1:SER(HG ) - 302 MT-ND1:MET( O ) 60.4
306 MT-ND1:SER( H ) - 302 MT-ND1:MET( O ) 40.4
305 MT-ND1:VAL( H ) - 301 MT-ND1:LEU( O ) 91.2
302 MT-ND1:MET( H ) - 298 MT-ND1:LEU( O ) 95.2
298 MT-ND1:LEU( H ) - 294 MT-ND1:LEU( O ) 94.2
292 MT-ND1:ASN(D21) - 291 MT-ND1:LYS( O ) 16.8
292 MT-ND1:ASN(D21) - 287 MT-ND1:HIS( O ) 76.2
291 MT-ND1:LYS(HZ1) - 287 MT-ND1:HIS(ND1) 23.4
291 MT-ND1:LYS(HZ1) - 112 MT-ND3:ASP(OD2) 83.0
291 MT-ND1:LYS( H ) - 287 MT-ND1:HIS( O ) 50.6
290 MT-ND1:TRP( H ) - 286 MT-ND1:MET( O ) 68.8
287 MT-ND1:HIS(HE2) - 292 MT-ND1:ASN(ND2) 40.6
287 MT-ND1:HIS( H ) - 283 MT-ND1:ASP( O ) 76.0
286 MT-ND1:MET( H ) - 282 MT-ND1:TYR( O ) 98.0
282 MT-ND1:TYR(HH ) - 134 MT-ND1:ARG( O ) 12.4
222 MT-ND1:LEU( H ) - 219 MT-ND1:PRO( O ) 51.0
159 MT-ND1:SER(HG ) - 318 MT-ND1:THR(OXT) 56.8
159 MT-ND1:SER(HG ) - 318 MT-ND1:THR( O ) 14.0
155 MT-ND1:LEU( H ) - 151 MT-ND1:LEU( O ) 91.8
151 MT-ND1:LEU( H ) - 147 MT-ND1:ALA( O ) 92.6
148 MT-ND1:ILE( H ) - 144 MT-ND1:VAL( O ) 55.0
147 MT-ND1:ALA( H ) - 143 MT-ND1:GLU( O ) 89.6
144 MT-ND1:VAL( H ) - 140 MT-ND1:ILE( O ) 30.6
143 MT-ND1:GLU( H ) - 140 MT-ND1:ILE( O ) 31.4
141 MT-ND1:SER(HG ) - 290 MT-ND1:TRP(NE1) 64.4
141 MT-ND1:SER(HG ) - 137 MT-ND1:ALA( O ) 97.2
141 MT-ND1:SER( H ) - 137 MT-ND1:ALA( O ) 48.0
137 MT-ND1:ALA( H ) - 133 MT-ND1:LEU( O ) 82.0
134 MT-ND1:ARG(H21) - 115 MT-ND3:GLU(OE2) 51.2
134 MT-ND1:ARG(H21) - 115 MT-ND3:GLU(OE1) 54.8
134 MT-ND1:ARG(H11) - 115 MT-ND3:GLU(OE2) 50.4
134 MT-ND1:ARG(H11) - 115 MT-ND3:GLU(OE1) 38.8
133 MT-ND1:LEU( H ) - 129 MT-ND1:LEU( O ) 82.8
129 MT-ND1:LEU( H ) - 125 MT-ND1:SER( O ) 82.8
127 MT-ND1:TYR(HH ) - 208 MT-ND1:VAL( O ) 13.4
127 MT-ND1:TYR(HH ) - 208 MT-ND1:VAL( N ) 36.0
127 MT-ND1:TYR(HH ) - 38 MT-ND3:GLU(OE2) 11.6
126 MT-ND1:ASN(D21) - 38 MT-ND3:GLU(OE1) 10.4
125 MT-ND1:SER(HG ) - 214 MT-ND1:GLU(OE2) 29.2
125 MT-ND1:SER(HG ) - 214 MT-ND1:GLU(OE1) 42.4
124 MT-ND1:ASN(D21) - 65 MT-ND1:THR( O ) 27.6
124 MT-ND1:ASN( H ) - 121 MT-ND1:TRP( O ) 36.6
104 MT-ND1:PHE( H ) - 100 MT-ND1:LEU( O ) 19.8
103 MT-ND1:LEU( H ) - 100 MT-ND1:LEU( O ) 86.8
100 MT-ND1:LEU( H ) - 98 MT-ND1:LEU( O ) 63.0
96 MT-ND1:VAL( H ) - 87 MT-ND1:THR( O ) 75.4
95 MT-ND1:LEU( H ) - 87 MT-ND1:THR( O ) 45.0
87 MT-ND1:THR(HG1) - 84 MT-ND1:LEU( O ) 99.8
87 MT-ND1:THR( H ) - 84 MT-ND1:LEU( O ) 91.0
84 MT-ND1:LEU( H ) - 80 MT-ND1:THR( O ) 95.2
83 MT-ND1:LEU( H ) - 79 MT-ND1:LEU( O ) 86.6
80 MT-ND1:THR(HG1) - 76 MT-ND1:THR( O ) 97.4
80 MT-ND1:THR( H ) - 76 MT-ND1:THR( O ) 95.2
79 MT-ND1:LEU( H ) - 75 MT-ND1:PRO( O ) 86.8
76 MT-ND1:THR(HG1) - 72 MT-ND1:ILE( O ) 97.6
76 MT-ND1:THR( H ) - 72 MT-ND1:ILE( O ) 35.8
65 MT-ND1:THR(HG1) - 124 MT-ND1:ASN(ND2) 12.2
64 MT-ND1:ALA( H ) - 34 MT-ND3:SER( O ) 79.6
62 MT-ND1:LYS(HZ1) - 59 MT-ND1:GLU(OE2) 58.2
59 MT-ND1:GLU( H ) - 59 MT-ND1:GLU(OE2) 11.0
10 MT-ND1:ILE( H ) - 6 MT-ND1:LEU( O ) 83.6
7 MT-ND1:LEU( H ) - 3 MT-ND1:MET( O ) 64.8
6 MT-ND1:LEU( H ) - 2 MT-ND1:PRO( O ) 78.0
111 MT-ND3:LEU( H ) - 105 MT-ND3:GLU( O ) 81.8
106 MT-ND3:TRP( H ) - 102 MT-ND3:LEU( O ) 75.4
102 MT-ND3:LEU( H ) - 98 MT-ND3:LEU( O ) 89.4
99 MT-ND3:ALA( H ) - 95 MT-ND3:ILE( O ) 96.4
96 MT-ND3:ILE( H ) - 92 MT-ND3:LEU( O ) 91.2
95 MT-ND3:ILE( H ) - 91 MT-ND3:SER( O ) 85.4
92 MT-ND3:LEU( H ) - 88 MT-ND3:VAL( O ) 89.6
91 MT-ND3:SER(HG ) - 87 MT-ND3:MET( O ) 93.4
91 MT-ND3:SER( H ) - 87 MT-ND3:MET( O ) 74.4
88 MT-ND3:VAL( H ) - 84 MT-ND3:LEU( O ) 89.8
87 MT-ND3:MET( H ) - 84 MT-ND3:LEU( O ) 15.0
80 MT-ND3:GLN(E21) - 317 MT-ND1:GLN( O ) 46.4
80 MT-ND3:GLN(E21) - 315 MT-ND1:PRO( O ) 11.6
80 MT-ND3:GLN(E21) - 76 MT-ND3:PRO( O ) 56.4
80 MT-ND3:GLN( H ) - 77 MT-ND3:TRP( O ) 80.6
79 MT-ND3:LEU( H ) - 75 MT-ND3:LEU( O ) 87.8
77 MT-ND3:TRP(HE1) - 318 MT-ND1:THR(OXT) 11.6
77 MT-ND3:TRP(HE1) - 159 MT-ND1:SER(OG ) 10.2
75 MT-ND3:LEU( H ) - 72 MT-ND3:LEU( O ) 86.2
73 MT-ND3:LEU( H ) - 69 MT-ND3:ILE( O ) 12.6
72 MT-ND3:LEU( H ) - 69 MT-ND3:ILE( O ) 44.6
66 MT-ND3:ASP( H ) - 62 MT-ND3:PHE( O ) 65.4
65 MT-ND3:PHE( H ) - 62 MT-ND3:PHE( O ) 85.8
62 MT-ND3:PHE( H ) - 58 MT-ND3:VAL( O ) 70.4
61 MT-ND3:THR(HG1) - 105 MT-ND3:GLU(OE1) 31.8
58 MT-ND3:VAL( H ) - 55 MT-ND3:PHE( O ) 65.6
39 MT-ND3:CYS( H ) - 38 MT-ND3:GLU(OE2) 13.8
24 MT-ND3:LEU( H ) - 20 MT-ND3:ILE( O ) 91.4
21 MT-ND3:THR(HG1) - 18 MT-ND3:MET( O ) 90.4
21 MT-ND3:THR( H ) - 18 MT-ND3:MET( O ) 70.2
21 MT-ND3:THR( H ) - 17 MT-ND3:LEU( O ) 11.6
18 MT-ND3:MET( H ) - 14 MT-ND3:ALA( O ) 65.0
17 MT-ND3:LEU( H ) - 13 MT-ND3:LEU( O ) 90.0
15 MT-ND3:LEU( H ) - 11 MT-ND3:THR( O ) 95.6
14 MT-ND3:ALA( H ) - 10 MT-ND3:ASN( O ) 85.0
13 MT-ND3:LEU( H ) - 9 MT-ND3:THR( O ) 81.6
11 MT-ND3:THR(HG1) - 7 MT-ND3:LEU( O ) 97.0
11 MT-ND3:THR( H ) - 7 MT-ND3:LEU( O ) 85.2
10 MT-ND3:ASN(D21) - 6 MT-ND3:ILE( O ) 93.0
10 MT-ND3:ASN( H ) - 6 MT-ND3:ILE( O ) 78.6
9 MT-ND3:THR(HG1) - 5 MT-ND3:LEU( O ) 95.6
9 MT-ND3:THR( H ) - 5 MT-ND3:LEU( O ) 99.4
7 MT-ND3:LEU( H ) - 3 MT-ND3:PHE( O ) 97.2
6 MT-ND3:ILE( H ) - 2 MT-ND3:ASN( O ) 86.4
2 MT-ND3:ASN(D21) - 95 MT-ND1:LEU( O ) 22.6
WT
Donor-Acceptor Occupancy (%)
318 MT-ND1:THR(HG1) - 317 MT-ND1:GLN( O ) 13.8
309 MT-ND1:ILE( H ) - 306 MT-ND1:SER( O ) 44.8
306 MT-ND1:SER(HG ) - 302 MT-ND1:MET( O ) 90.2
306 MT-ND1:SER( H ) - 302 MT-ND1:MET( O ) 50.2
305 MT-ND1:VAL( H ) - 301 MT-ND1:LEU( O ) 81.0
302 MT-ND1:MET( H ) - 298 MT-ND1:LEU( O ) 96.0
298 MT-ND1:LEU( H ) - 294 MT-ND1:LEU( O ) 90.4
292 MT-ND1:ASN(D21) - 287 MT-ND1:HIS( O ) 98.8
291 MT-ND1:LYS(HZ1) - 112 MT-ND3:ASP(OD2) 11.8
291 MT-ND1:LYS(HZ1) - 112 MT-ND3:ASP(OD1) 26.2
291 MT-ND1:LYS(HZ1) - 111 MT-ND3:LEU( O ) 26.8
291 MT-ND1:LYS( H ) - 286 MT-ND1:MET( O ) 59.8
222 MT-ND1:LEU( H ) - 219 MT-ND1:PRO( O ) 65.8
159 MT-ND1:SER( H ) - 154 MT-ND1:LEU( O ) 10.8
155 MT-ND1:LEU( H ) - 151 MT-ND1:LEU( O ) 92.8
151 MT-ND1:LEU( H ) - 147 MT-ND1:ALA( O ) 96.8
148 MT-ND1:ILE( H ) - 144 MT-ND1:VAL( O ) 72.6
147 MT-ND1:ALA( H ) - 143 MT-ND1:GLU( O ) 90.2
144 MT-ND1:VAL( H ) - 140 MT-ND1:ILE( O ) 95.2
141 MT-ND1:SER(HG ) - 290 MT-ND1:TRP(NE1) 59.4
141 MT-ND1:SER(HG ) - 137 MT-ND1:ALA( O ) 82.6
141 MT-ND1:SER( H ) - 137 MT-ND1:ALA( O ) 62.0
137 MT-ND1:ALA( H ) - 133 MT-ND1:LEU( O ) 91.0
134 MT-ND1:ARG(H21) - 115 MT-ND3:GLU(OXT) 52.8
134 MT-ND1:ARG(HE ) - 115 MT-ND3:GLU(OXT) 32.6
133 MT-ND1:LEU( H ) - 129 MT-ND1:LEU( O ) 86.8
129 MT-ND1:LEU( H ) - 125 MT-ND1:SER( O ) 91.8
104 MT-ND1:PHE( H ) - 100 MT-ND1:LEU( O ) 76.2
103 MT-ND1:LEU( H ) - 100 MT-ND1:LEU( O ) 41.4
98 MT-ND1:LEU( H ) - 96 MT-ND1:VAL( O ) 29.6
96 MT-ND1:VAL( H ) - 87 MT-ND1:THR( O ) 76.8
95 MT-ND1:LEU( H ) - 87 MT-ND1:THR( O ) 36.4
87 MT-ND1:THR(HG1) - 84 MT-ND1:LEU( O ) 99.0
87 MT-ND1:THR( H ) - 84 MT-ND1:LEU( O ) 95.6
84 MT-ND1:LEU( H ) - 80 MT-ND1:THR( O ) 86.0
83 MT-ND1:LEU( H ) - 80 MT-ND1:THR( O ) 16.0
83 MT-ND1:LEU( H ) - 79 MT-ND1:LEU( O ) 59.0
80 MT-ND1:THR(HG1) - 76 MT-ND1:THR( O ) 95.6
80 MT-ND1:THR( H ) - 76 MT-ND1:THR( O ) 97.8
79 MT-ND1:LEU( H ) - 75 MT-ND1:PRO( O ) 83.6
76 MT-ND1:THR(HG1) - 72 MT-ND1:ILE( O ) 98.2
76 MT-ND1:THR( H ) - 72 MT-ND1:ILE( O ) 51.0
71 MT-ND1:TYR(HH ) - 124 MT-ND1:ASN(ND2) 21.2
65 MT-ND1:THR(HG1) - 124 MT-ND1:ASN(OD1) 24.0
64 MT-ND1:ALA( H ) - 34 MT-ND3:SER( O ) 11.8
62 MT-ND1:LYS(HZ1) - 63 MT-ND1:PRO( O ) 56.0
62 MT-ND1:LYS( H ) - 60 MT-ND1:PRO( O ) 35.6
59 MT-ND1:GLU( H ) - 59 MT-ND1:GLU(OE2) 27.0
59 MT-ND1:GLU( H ) - 59 MT-ND1:GLU(OE1) 56.0
10 MT-ND1:ILE( H ) - 7 MT-ND1:LEU( O ) 32.0
10 MT-ND1:ILE( H ) - 6 MT-ND1:LEU( O ) 49.0
7 MT-ND1:LEU( H ) - 3 MT-ND1:MET( O ) 79.8
6 MT-ND1:LEU( H ) - 2 MT-ND1:PRO( O ) 81.8
114 MT-ND3:ALA( H ) - 283 MT-ND1:ASP( O ) 24.0
111 MT-ND3:LEU( H ) - 105 MT-ND3:GLU( O ) 38.4
102 MT-ND3:LEU( H ) - 98 MT-ND3:LEU( O ) 96.0
99 MT-ND3:ALA( H ) - 95 MT-ND3:ILE( O ) 98.0
96 MT-ND3:ILE( H ) - 92 MT-ND3:LEU( O ) 91.8
95 MT-ND3:ILE( H ) - 91 MT-ND3:SER( O ) 92.0
92 MT-ND3:LEU( H ) - 88 MT-ND3:VAL( O ) 93.0
91 MT-ND3:SER(HG ) - 87 MT-ND3:MET( O ) 93.4
91 MT-ND3:SER( H ) - 87 MT-ND3:MET( O ) 97.4
88 MT-ND3:VAL( H ) - 84 MT-ND3:LEU( O ) 99.2
80 MT-ND3:GLN(E21) - 315 MT-ND1:PRO( O ) 51.2
80 MT-ND3:GLN( H ) - 77 MT-ND3:TRP( O ) 90.2
79 MT-ND3:LEU( H ) - 75 MT-ND3:LEU( O ) 46.8
75 MT-ND3:LEU( H ) - 72 MT-ND3:LEU( O ) 83.0
73 MT-ND3:LEU( H ) - 69 MT-ND3:ILE( O ) 96.8
72 MT-ND3:LEU( H ) - 69 MT-ND3:ILE( O ) 25.6
69 MT-ND3:ILE( H ) - 65 MT-ND3:PHE( O ) 66.0
66 MT-ND3:ASP( H ) - 62 MT-ND3:PHE( O ) 73.6
65 MT-ND3:PHE( H ) - 62 MT-ND3:PHE( O ) 61.4
65 MT-ND3:PHE( H ) - 61 MT-ND3:THR( O ) 10.2
62 MT-ND3:PHE( H ) - 58 MT-ND3:VAL( O ) 78.6
61 MT-ND3:THR( H ) - 58 MT-ND3:VAL( O ) 10.4
59 MT-ND3:ALA( H ) - 55 MT-ND3:PHE( O ) 94.6
21 MT-ND3:THR(HG1) - 18 MT-ND3:MET( O ) 97.6
21 MT-ND3:THR( H ) - 18 MT-ND3:MET( O ) 93.6
20 MT-ND3:ILE( H ) - 17 MT-ND3:LEU( O ) 34.4
18 MT-ND3:MET( H ) - 14 MT-ND3:ALA( O ) 74.6
17 MT-ND3:LEU( H ) - 13 MT-ND3:LEU( O ) 72.8
15 MT-ND3:LEU( H ) - 11 MT-ND3:THR( O ) 90.8
14 MT-ND3:ALA( H ) - 10 MT-ND3:ASN( O ) 75.2
13 MT-ND3:LEU( H ) - 9 MT-ND3:THR( O ) 89.2
11 MT-ND3:THR(HG1) - 7 MT-ND3:LEU( O ) 95.2
11 MT-ND3:THR( H ) - 7 MT-ND3:LEU( O ) 89.8
10 MT-ND3:ASN(D21) - 6 MT-ND3:ILE( O ) 86.8
10 MT-ND3:ASN( H ) - 6 MT-ND3:ILE( O ) 92.2
9 MT-ND3:THR(HG1) - 5 MT-ND3:LEU( O ) 91.8
9 MT-ND3:THR( H ) - 5 MT-ND3:LEU( O ) 97.0
7 MT-ND3:LEU( H ) - 3 MT-ND3:PHE( O ) 98.0
6 MT-ND3:ILE( H ) - 2 MT-ND3:ASN( O ) 74.0
AA64T-SB45P
Donor-Acceptor Occupancy (%)
309 MT-ND1:ILE( H ) - 306 MT-ND1:SER( O ) 76.2
306 MT-ND1:SER(HG ) - 302 MT-ND1:MET( O ) 86.2
306 MT-ND1:SER( H ) - 302 MT-ND1:MET( O ) 18.4
305 MT-ND1:VAL( H ) - 301 MT-ND1:LEU( O ) 87.6
302 MT-ND1:MET( H ) - 298 MT-ND1:LEU( O ) 33.0
298 MT-ND1:LEU( H ) - 294 MT-ND1:LEU( O ) 94.0
292 MT-ND1:ASN(D21) - 291 MT-ND1:LYS( O ) 23.2
292 MT-ND1:ASN(D21) - 287 MT-ND1:HIS( O ) 57.2
291 MT-ND1:LYS(HZ1) - 112 MT-ND3:ASP(OD2) 44.2
291 MT-ND1:LYS(HZ1) - 112 MT-ND3:ASP(OD1) 46.2
291 MT-ND1:LYS( H ) - 287 MT-ND1:HIS( O ) 64.6
290 MT-ND1:TRP( H ) - 286 MT-ND1:MET( O ) 86.2
287 MT-ND1:HIS(HE2) - 292 MT-ND1:ASN(ND2) 25.4
287 MT-ND1:HIS( H ) - 283 MT-ND1:ASP( O ) 75.4
286 MT-ND1:MET( H ) - 282 MT-ND1:TYR( O ) 79.8
222 MT-ND1:LEU( H ) - 219 MT-ND1:PRO( O ) 43.8
155 MT-ND1:LEU( H ) - 151 MT-ND1:LEU( O ) 91.8
151 MT-ND1:LEU( H ) - 148 MT-ND1:ILE( O ) 10.6
151 MT-ND1:LEU( H ) - 147 MT-ND1:ALA( O ) 41.6
148 MT-ND1:ILE( H ) - 144 MT-ND1:VAL( O ) 10.6
147 MT-ND1:ALA( H ) - 143 MT-ND1:GLU( O ) 80.6
144 MT-ND1:VAL( H ) - 140 MT-ND1:ILE( O ) 78.8
141 MT-ND1:SER(HG ) - 137 MT-ND1:ALA( O ) 91.0
141 MT-ND1:SER( H ) - 137 MT-ND1:ALA( O ) 68.6
137 MT-ND1:ALA( H ) - 133 MT-ND1:LEU( O ) 87.8
134 MT-ND1:ARG(H21) - 115 MT-ND3:GLU(OE2) 33.0
134 MT-ND1:ARG(H21) - 115 MT-ND3:GLU(OE1) 56.8
134 MT-ND1:ARG(H11) - 115 MT-ND3:GLU(OE2) 11.0
134 MT-ND1:ARG(HE ) - 115 MT-ND3:GLU(OE2) 40.8
134 MT-ND1:ARG(HE ) - 115 MT-ND3:GLU(OE1) 20.0
133 MT-ND1:LEU( H ) - 129 MT-ND1:LEU( O ) 92.6
129 MT-ND1:LEU( H ) - 125 MT-ND1:SER( O ) 18.6
127 MT-ND1:TYR(HH ) - 45 MT-ND3:SER( O ) 18.8
127 MT-ND1:TYR( H ) - 214 MT-ND1:GLU(OE2) 27.0
127 MT-ND1:TYR( H ) - 214 MT-ND1:GLU(OE1) 11.2
126 MT-ND1:ASN(D21) - 47 MT-ND3:ALA( O ) 21.2
126 MT-ND1:ASN( H ) - 214 MT-ND1:GLU(OE2) 14.2
126 MT-ND1:ASN( H ) - 214 MT-ND1:GLU(OE1) 17.4
125 MT-ND1:SER(HG ) - 214 MT-ND1:GLU(OE2) 74.4
125 MT-ND1:SER(HG ) - 214 MT-ND1:GLU(OE1) 20.4
125 MT-ND1:SER(HG ) - 129 MT-ND1:LEU( N ) 49.8
124 MT-ND1:ASN(D21) - 65 MT-ND1:THR( O ) 26.4
124 MT-ND1:ASN( H ) - 121 MT-ND1:TRP( O ) 61.4
104 MT-ND1:PHE( H ) - 100 MT-ND1:LEU( O ) 77.2
103 MT-ND1:LEU( H ) - 100 MT-ND1:LEU( O ) 22.0
96 MT-ND1:VAL( H ) - 87 MT-ND1:THR( O ) 66.0
95 MT-ND1:LEU( H ) - 87 MT-ND1:THR( O ) 50.6
87 MT-ND1:THR(HG1) - 84 MT-ND1:LEU( O ) 99.6
87 MT-ND1:THR( H ) - 84 MT-ND1:LEU( O ) 91.2
84 MT-ND1:LEU( H ) - 80 MT-ND1:THR( O ) 89.6
83 MT-ND1:LEU( H ) - 80 MT-ND1:THR( O ) 14.2
83 MT-ND1:LEU( H ) - 79 MT-ND1:LEU( O ) 55.6
80 MT-ND1:THR(HG1) - 76 MT-ND1:THR( O ) 97.2
80 MT-ND1:THR( H ) - 76 MT-ND1:THR( O ) 93.6
79 MT-ND1:LEU( H ) - 75 MT-ND1:PRO( O ) 56.6
76 MT-ND1:THR(HG1) - 72 MT-ND1:ILE( O ) 64.0
76 MT-ND1:THR( H ) - 72 MT-ND1:ILE( O ) 19.2
71 MT-ND1:TYR(HH ) - 214 MT-ND1:GLU( O ) 23.2
65 MT-ND1:THR(HG1) - 124 MT-ND1:ASN(ND2) 33.6
61 MT-ND1:LEU( H ) - 217 MT-ND1:ALA( O ) 49.6
59 MT-ND1:GLU( H ) - 59 MT-ND1:GLU(OE2) 46.2
59 MT-ND1:GLU( H ) - 59 MT-ND1:GLU(OE1) 49.0
10 MT-ND1:ILE( H ) - 7 MT-ND1:LEU( O ) 26.8
7 MT-ND1:LEU( H ) - 3 MT-ND1:MET( O ) 65.2
7 MT-ND1:LEU( H ) - 2 MT-ND1:PRO( O ) 16.8
6 MT-ND1:LEU( H ) - 3 MT-ND1:MET( O ) 10.8
6 MT-ND1:LEU( H ) - 2 MT-ND1:PRO( O ) 47.0
111 MT-ND3:LEU( H ) - 105 MT-ND3:GLU( O ) 10.4
106 MT-ND3:TRP( H ) - 102 MT-ND3:LEU( O ) 90.4
102 MT-ND3:LEU( H ) - 98 MT-ND3:LEU( O ) 86.8
99 MT-ND3:ALA( H ) - 95 MT-ND3:ILE( O ) 93.0
96 MT-ND3:ILE( H ) - 92 MT-ND3:LEU( O ) 93.8
95 MT-ND3:ILE( H ) - 91 MT-ND3:SER( O ) 89.8
92 MT-ND3:LEU( H ) - 88 MT-ND3:VAL( O ) 94.0
91 MT-ND3:SER(HG ) - 88 MT-ND3:VAL( O ) 10.2
91 MT-ND3:SER(HG ) - 87 MT-ND3:MET( O ) 84.2
91 MT-ND3:SER( H ) - 87 MT-ND3:MET( O ) 84.6
88 MT-ND3:VAL( H ) - 84 MT-ND3:LEU( O ) 97.0
80 MT-ND3:GLN(E21) - 315 MT-ND1:PRO( O ) 68.0
80 MT-ND3:GLN(E21) - 76 MT-ND3:PRO( O ) 60.6
80 MT-ND3:GLN( H ) - 80 MT-ND3:GLN(OE1) 37.2
80 MT-ND3:GLN( H ) - 77 MT-ND3:TRP( O ) 34.2
79 MT-ND3:LEU( H ) - 75 MT-ND3:LEU( O ) 64.0
75 MT-ND3:LEU( H ) - 72 MT-ND3:LEU( O ) 62.6
73 MT-ND3:LEU( H ) - 69 MT-ND3:ILE( O ) 95.4
72 MT-ND3:LEU( H ) - 69 MT-ND3:ILE( O ) 26.0
69 MT-ND3:ILE( H ) - 65 MT-ND3:PHE( O ) 90.6
66 MT-ND3:ASP( H ) - 62 MT-ND3:PHE( O ) 90.0
65 MT-ND3:PHE( H ) - 61 MT-ND3:THR( O ) 80.8
62 MT-ND3:PHE( H ) - 58 MT-ND3:VAL( O ) 95.0
59 MT-ND3:ALA( H ) - 55 MT-ND3:PHE( O ) 94.8
39 MT-ND3:CYS( H ) - 38 MT-ND3:GLU(OE1) 12.8
38 MT-ND3:GLU( H ) - 36 MT-ND3:PRO( O ) 12.8
37 MT-ND3:TYR(HH ) - 208 MT-ND1:VAL( O ) 17.6
34 MT-ND3:SER(HG ) - 213 MT-ND1:ILE( O ) 17.2
33 MT-ND3:LYS(HZ1) - 38 MT-ND3:GLU(OE2) 14.4
33 MT-ND3:LYS(HZ1) - 38 MT-ND3:GLU(OE1) 13.0
27 MT-ND3:LEU( H ) - 25 MT-ND3:PRO( O ) 21.6
24 MT-ND3:LEU( H ) - 20 MT-ND3:ILE( O ) 88.0
21 MT-ND3:THR(HG1) - 18 MT-ND3:MET( O ) 65.4
21 MT-ND3:THR(HG1) - 17 MT-ND3:LEU( O ) 27.0
21 MT-ND3:THR( H ) - 18 MT-ND3:MET( O ) 35.0
21 MT-ND3:THR( H ) - 17 MT-ND3:LEU( O ) 30.0
18 MT-ND3:MET( H ) - 15 MT-ND3:LEU( O ) 14.6
18 MT-ND3:MET( H ) - 14 MT-ND3:ALA( O ) 51.0
17 MT-ND3:LEU( H ) - 13 MT-ND3:LEU( O ) 69.0
15 MT-ND3:LEU( H ) - 11 MT-ND3:THR( O ) 92.8
14 MT-ND3:ALA( H ) - 10 MT-ND3:ASN( O ) 80.2
13 MT-ND3:LEU( H ) - 9 MT-ND3:THR( O ) 86.2
11 MT-ND3:THR(HG1) - 7 MT-ND3:LEU( O ) 98.6
11 MT-ND3:THR( H ) - 7 MT-ND3:LEU( O ) 91.2
10 MT-ND3:ASN(D21) - 6 MT-ND3:ILE( O ) 83.2
10 MT-ND3:ASN( H ) - 6 MT-ND3:ILE( O ) 95.8
9 MT-ND3:THR(HG1) - 5 MT-ND3:LEU( O ) 98.8
9 MT-ND3:THR( H ) - 5 MT-ND3:LEU( O ) 93.4
7 MT-ND3:LEU( H ) - 3 MT-ND3:PHE( O ) 97.0
6 MT-ND3:ILE( H ) - 2 MT-ND3:ASN( O ) 53.0
5 MT-ND3:LEU( H ) - 2 MT-ND3:ASN( O ) 30.2