## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
Id |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
1 |
|
B |
229 |
57 |
12777 |
◊ |
A |
x,y,z |
1_555 |
256 |
72 |
21187 |
2384.0 |
-12.1 |
0.158 |
43 |
11 |
0 |
0.257 |
2 |
|
F |
228 |
57 |
12775 |
◊ |
E |
x,y,z |
1_555 |
253 |
72 |
21176 |
2383.3 |
-13.1 |
0.119 |
43 |
11 |
0 |
0.257 |
3 |
|
J |
227 |
58 |
12776 |
◊ |
I |
x,y,z |
1_555 |
253 |
72 |
21174 |
2377.1 |
-12.1 |
0.172 |
42 |
11 |
0 |
0.257 |
Average: |
2381.4 |
-12.4 |
0.150 |
43 |
11 |
0 |
0.257 |
2 |
4 |
|
C |
108 |
26 |
9231 |
◊ |
B |
x,y,z |
1_555 |
134 |
38 |
12777 |
1132.5 |
-12.1 |
0.361 |
11 |
1 |
0 |
0.146 |
5 |
|
K |
108 |
26 |
9234 |
◊ |
J |
x,y,z |
1_555 |
135 |
38 |
12776 |
1121.1 |
-12.2 |
0.361 |
11 |
1 |
0 |
0.146 |
6 |
|
G |
108 |
26 |
9226 |
◊ |
F |
x,y,z |
1_555 |
127 |
37 |
12775 |
1118.4 |
-12.2 |
0.337 |
12 |
1 |
0 |
0.146 |
Average: |
1124.0 |
-12.1 |
0.353 |
11 |
1 |
0 |
0.146 |
3 |
7 |
|
H |
118 |
35 |
7210 |
◊ |
G |
x,y,z |
1_555 |
100 |
27 |
9226 |
1106.6 |
-24.5 |
0.506 |
5 |
4 |
0 |
0.395 |
8 |
|
L |
118 |
36 |
7193 |
◊ |
K |
x,y,z |
1_555 |
100 |
27 |
9234 |
1103.1 |
-24.3 |
0.498 |
6 |
4 |
0 |
0.395 |
9 |
|
D |
120 |
35 |
7199 |
◊ |
C |
x,y,z |
1_555 |
100 |
27 |
9231 |
1100.1 |
-24.4 |
0.510 |
5 |
4 |
0 |
0.395 |
Average: |
1103.3 |
-24.4 |
0.504 |
5 |
4 |
0 |
0.395 |
4 |
10 |
|
[FAD]I:601 |
53 |
1 |
1000 |
cf |
I |
x,y,z |
1_555 |
104 |
45 |
21174 |
684.2 |
-8.7 |
0.341 |
28 |
0 |
0 |
0.165 |
11 |
|
[FAD]A:601 |
53 |
1 |
1002 |
cf |
A |
x,y,z |
1_555 |
104 |
45 |
21187 |
683.9 |
-7.8 |
0.462 |
28 |
0 |
0 |
0.165 |
12 |
|
[FAD]E:601 |
53 |
1 |
1000 |
cf |
E |
x,y,z |
1_555 |
103 |
44 |
21176 |
683.5 |
-8.8 |
0.340 |
29 |
0 |
0 |
0.165 |
Average: |
683.9 |
-8.5 |
0.381 |
28 |
0 |
0 |
0.165 |
5 |
13 |
|
D |
52 |
12 |
7199 |
◊ |
B |
x,y,z |
1_555 |
64 |
16 |
12777 |
535.1 |
-7.6 |
0.391 |
8 |
2 |
0 |
0.067 |
14 |
|
H |
51 |
12 |
7210 |
◊ |
F |
x,y,z |
1_555 |
63 |
16 |
12775 |
532.4 |
-7.6 |
0.380 |
8 |
2 |
0 |
0.067 |
15 |
|
L |
52 |
12 |
7193 |
◊ |
J |
x,y,z |
1_555 |
61 |
16 |
12776 |
523.6 |
-7.5 |
0.376 |
8 |
2 |
0 |
0.067 |
Average: |
530.4 |
-7.6 |
0.382 |
8 |
2 |
0 |
0.067 |
6 |
16 |
|
L |
36 |
12 |
7193 |
◊ |
D |
x,y,z |
1_555 |
40 |
12 |
7199 |
458.8 |
-14.5 |
0.137 |
0 |
0 |
0 |
1.000 |
17 |
|
L |
40 |
12 |
7193 |
◊ |
H |
x,y,z |
1_555 |
37 |
12 |
7210 |
449.4 |
-14.2 |
0.169 |
0 |
0 |
0 |
1.000 |
18 |
|
H |
38 |
11 |
7210 |
◊ |
D |
x,y,z |
1_555 |
36 |
12 |
7199 |
447.9 |
-14.2 |
0.139 |
0 |
0 |
0 |
1.000 |
Average: |
452.0 |
-14.3 |
0.149 |
0 |
0 |
0 |
1.000 |
7 |
19 |
|
E |
47 |
19 |
21176 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
52 |
13 |
21187 |
442.0 |
-1.1 |
0.504 |
4 |
0 |
0 |
0.000 |
8 |
20 |
|
[HEM]K:1130 |
41 |
1 |
804 |
◊ |
L |
x,y,z |
1_555 |
40 |
13 |
7193 |
366.1 |
-10.3 |
0.976 |
1 |
0 |
0 |
0.154 |
21 |
|
[HEM]C:1130 |
41 |
1 |
804 |
◊ |
D |
x,y,z |
1_555 |
40 |
13 |
7199 |
361.5 |
-10.3 |
0.977 |
1 |
0 |
0 |
0.154 |
22 |
|
[HEM]G:1130 |
39 |
1 |
803 |
◊ |
H |
x,y,z |
1_555 |
39 |
13 |
7210 |
360.8 |
-10.4 |
0.968 |
1 |
0 |
0 |
0.154 |
Average: |
362.8 |
-10.3 |
0.974 |
1 |
0 |
0 |
0.154 |
9 |
23 |
|
[HEM]G:1130 |
41 |
1 |
803 |
f |
G |
x,y,z |
1_555 |
46 |
14 |
9226 |
353.2 |
-12.4 |
0.859 |
3 |
0 |
0 |
0.191 |
24 |
|
[HEM]C:1130 |
40 |
1 |
804 |
f |
C |
x,y,z |
1_555 |
46 |
14 |
9231 |
353.0 |
-12.5 |
0.834 |
2 |
0 |
0 |
0.191 |
25 |
|
[HEM]K:1130 |
41 |
1 |
804 |
f |
K |
x,y,z |
1_555 |
49 |
16 |
9234 |
352.8 |
-11.8 |
0.856 |
1 |
0 |
0 |
0.191 |
Average: |
353.0 |
-12.3 |
0.850 |
2 |
0 |
0 |
0.191 |
10 |
26 |
|
A |
19 |
7 |
21187 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
24 |
8 |
12775 |
214.8 |
-1.0 |
0.227 |
1 |
0 |
0 |
0.000 |
11 |
27 |
|
[SF4]J:303 |
8 |
1 |
310 |
f |
J |
x,y,z |
1_555 |
25 |
15 |
12776 |
188.9 |
-21.9 |
0.289 |
1 |
0 |
0 |
0.186 |
12 |
28 |
|
[SF4]F:303 |
8 |
1 |
308 |
f |
F |
x,y,z |
1_555 |
25 |
15 |
12775 |
188.8 |
-21.6 |
0.212 |
0 |
0 |
0 |
0.179 |
29 |
|
[SF4]B:303 |
8 |
1 |
308 |
f |
B |
x,y,z |
1_555 |
24 |
14 |
12777 |
188.0 |
-21.5 |
0.261 |
0 |
0 |
0 |
0.179 |
Average: |
188.4 |
-21.6 |
0.237 |
0 |
0 |
0 |
0.179 |
13 |
30 |
|
A |
17 |
4 |
21187 |
◊ |
D |
x-1,y,z |
1_455 |
17 |
5 |
7199 |
177.5 |
-0.8 |
0.727 |
2 |
1 |
0 |
0.000 |
14 |
31 |
|
[F3S]J:304 |
7 |
1 |
302 |
f |
J |
x,y,z |
1_555 |
20 |
13 |
12776 |
175.9 |
-18.2 |
0.319 |
2 |
0 |
0 |
0.159 |
15 |
32 |
|
[F3S]B:304 |
7 |
1 |
303 |
f |
B |
x,y,z |
1_555 |
23 |
13 |
12777 |
175.8 |
-17.7 |
0.391 |
4 |
0 |
0 |
0.163 |
33 |
|
[F3S]F:304 |
7 |
1 |
300 |
f |
F |
x,y,z |
1_555 |
23 |
13 |
12775 |
174.7 |
-17.9 |
0.391 |
2 |
0 |
0 |
0.163 |
Average: |
175.3 |
-17.8 |
0.391 |
3 |
0 |
0 |
0.163 |
16 |
34 |
|
[PCI]G:1131 |
12 |
1 |
354 |
f |
G |
x,y,z |
1_555 |
28 |
6 |
9226 |
163.4 |
-17.5 |
0.817 |
0 |
0 |
0 |
0.244 |
17 |
35 |
|
[PCI]K:1131 |
12 |
1 |
354 |
f |
K |
x,y,z |
1_555 |
26 |
6 |
9234 |
161.6 |
-16.6 |
0.806 |
0 |
0 |
0 |
0.238 |
36 |
|
[PCI]C:1131 |
12 |
1 |
352 |
f |
C |
x,y,z |
1_555 |
28 |
6 |
9231 |
161.2 |
-16.1 |
0.824 |
0 |
0 |
0 |
0.238 |
Average: |
161.4 |
-16.4 |
0.815 |
0 |
0 |
0 |
0.238 |
18 |
37 |
|
F |
19 |
8 |
12775 |
◊ |
I |
x,y,z |
1_555 |
21 |
8 |
21174 |
158.2 |
-0.7 |
0.421 |
2 |
0 |
0 |
0.005 |
38 |
|
B |
21 |
8 |
12777 |
◊ |
E |
x,y,z |
1_555 |
22 |
8 |
21176 |
153.2 |
-0.7 |
0.463 |
1 |
0 |
0 |
0.005 |
39 |
|
J |
21 |
7 |
12776 |
◊ |
A |
x,y,z |
1_555 |
19 |
8 |
21187 |
151.8 |
-0.8 |
0.452 |
1 |
0 |
0 |
0.005 |
Average: |
154.4 |
-0.7 |
0.445 |
1 |
0 |
0 |
0.005 |
19 |
40 |
|
H |
14 |
7 |
7210 |
◊ |
B |
x,y,z |
1_555 |
19 |
4 |
12777 |
148.4 |
-0.9 |
0.725 |
1 |
0 |
0 |
0.008 |
41 |
|
L |
14 |
7 |
7193 |
◊ |
F |
x,y,z |
1_555 |
18 |
4 |
12775 |
147.5 |
-1.0 |
0.714 |
1 |
0 |
0 |
0.008 |
42 |
|
D |
11 |
6 |
7199 |
◊ |
J |
x,y,z |
1_555 |
18 |
4 |
12776 |
140.7 |
-1.1 |
0.644 |
1 |
0 |
0 |
0.008 |
Average: |
145.5 |
-1.0 |
0.695 |
1 |
0 |
0 |
0.008 |
20 |
43 |
|
[FES]J:302 |
4 |
1 |
237 |
cf |
J |
x,y,z |
1_555 |
15 |
11 |
12776 |
125.6 |
-17.4 |
0.546 |
1 |
0 |
0 |
0.149 |
21 |
44 |
|
[PCI]C:1131 |
12 |
1 |
352 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
12777 |
124.6 |
-10.8 |
0.258 |
1 |
0 |
0 |
0.094 |
45 |
|
[PCI]K:1131 |
12 |
1 |
354 |
◊ |
J |
x,y,z |
1_555 |
15 |
6 |
12776 |
124.4 |
-10.8 |
0.236 |
1 |
0 |
0 |
0.094 |
46 |
|
[PCI]G:1131 |
12 |
1 |
354 |
◊ |
F |
x,y,z |
1_555 |
15 |
6 |
12775 |
123.7 |
-10.5 |
0.247 |
1 |
0 |
0 |
0.094 |
Average: |
124.2 |
-10.7 |
0.247 |
1 |
0 |
0 |
0.094 |
22 |
47 |
|
[FES]F:302 |
4 |
1 |
236 |
cf |
F |
x,y,z |
1_555 |
13 |
10 |
12775 |
124.3 |
-17.0 |
0.588 |
2 |
0 |
0 |
0.148 |
48 |
|
[FES]B:302 |
4 |
1 |
234 |
f |
B |
x,y,z |
1_555 |
13 |
11 |
12777 |
124.0 |
-16.8 |
0.596 |
2 |
0 |
0 |
0.148 |
Average: |
124.1 |
-16.9 |
0.592 |
2 |
0 |
0 |
0.148 |
23 |
49 |
|
[TEO]A:1589 |
9 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
24 |
14 |
21187 |
121.1 |
-1.4 |
0.648 |
9 |
0 |
0 |
0.044 |
50 |
|
[TEO]E:1589 |
9 |
1 |
256 |
f |
E |
x,y,z |
1_555 |
23 |
14 |
21176 |
120.7 |
-1.4 |
0.615 |
10 |
0 |
0 |
0.044 |
Average: |
120.9 |
-1.4 |
0.631 |
10 |
0 |
0 |
0.044 |
24 |
51 |
|
[TEO]I:1589 |
9 |
1 |
256 |
f |
I |
x,y,z |
1_555 |
25 |
14 |
21174 |
120.7 |
-1.4 |
0.590 |
7 |
0 |
0 |
0.035 |
25 |
52 |
|
I |
12 |
5 |
21174 |
◊ |
J |
x-1/2,-y-1/2,-z-1 |
4_444 |
10 |
5 |
12776 |
101.8 |
-0.2 |
0.551 |
1 |
1 |
0 |
0.000 |
26 |
53 |
|
[TEO]A:1589 |
8 |
1 |
258 |
f |
[FAD]A:601 |
x,y,z |
1_555 |
14 |
1 |
1002 |
67.2 |
0.6 |
0.786 |
0 |
0 |
0 |
0.000 |
54 |
|
[TEO]E:1589 |
8 |
1 |
256 |
f |
[FAD]E:601 |
x,y,z |
1_555 |
14 |
1 |
1000 |
63.8 |
0.6 |
0.782 |
0 |
0 |
0 |
0.000 |
Average: |
65.5 |
0.6 |
0.784 |
0 |
0 |
0 |
0.000 |
27 |
55 |
|
[NA]I:1590 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
6 |
6 |
21174 |
65.7 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.096 |
56 |
|
[NA]E:1590 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
6 |
6 |
21176 |
65.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.096 |
57 |
|
[NA]A:1590 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
5 |
21187 |
64.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
65.2 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.096 |
28 |
58 |
|
[TEO]I:1589 |
7 |
1 |
256 |
f |
[FAD]I:601 |
x,y,z |
1_555 |
14 |
1 |
1000 |
62.6 |
0.7 |
0.766 |
0 |
0 |
0 |
0.000 |
29 |
59 |
|
C |
3 |
1 |
9231 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
21187 |
55.3 |
1.4 |
0.890 |
2 |
4 |
0 |
0.000 |
60 |
|
G |
3 |
1 |
9226 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
21176 |
49.9 |
1.2 |
0.907 |
2 |
3 |
0 |
0.000 |
61 |
|
K |
3 |
1 |
9234 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
21174 |
47.9 |
1.2 |
0.907 |
2 |
2 |
0 |
0.000 |
Average: |
51.0 |
1.3 |
0.901 |
2 |
3 |
0 |
0.000 |
30 |
62 |
|
[PCI]K:1131 |
5 |
1 |
354 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
7193 |
47.7 |
-1.4 |
0.926 |
1 |
0 |
0 |
0.027 |
31 |
63 |
|
[PCI]C:1131 |
5 |
1 |
352 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
7199 |
45.9 |
-1.4 |
0.928 |
1 |
0 |
0 |
0.026 |
32 |
64 |
|
[PCI]G:1131 |
4 |
1 |
354 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
7210 |
43.9 |
-1.4 |
0.904 |
1 |
0 |
0 |
0.026 |
33 |
65 |
|
A |
4 |
1 |
21187 |
◊ |
C |
x-1,y,z |
1_455 |
6 |
3 |
9231 |
43.0 |
-0.8 |
0.524 |
0 |
0 |
0 |
0.000 |
34 |
66 |
|
[HEM]C:1130 |
6 |
1 |
804 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
12777 |
41.3 |
-2.0 |
0.589 |
1 |
0 |
0 |
0.022 |
67 |
|
[HEM]G:1130 |
5 |
1 |
803 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
12775 |
38.7 |
-2.2 |
0.488 |
1 |
0 |
0 |
0.022 |
68 |
|
[HEM]K:1130 |
6 |
1 |
804 |
◊ |
J |
x,y,z |
1_555 |
9 |
3 |
12776 |
37.5 |
-1.9 |
0.609 |
1 |
0 |
0 |
0.022 |
Average: |
39.2 |
-2.1 |
0.562 |
1 |
0 |
0 |
0.022 |
35 |
69 |
|
E |
3 |
1 |
21176 |
◊ |
L |
-x+1,y-1/2,-z-1/2 |
3_644 |
5 |
2 |
7193 |
26.8 |
-0.1 |
0.741 |
0 |
0 |
0 |
0.000 |
36 |
70 |
|
I |
4 |
3 |
21174 |
◊ |
A |
-x,y-1/2,-z-1/2 |
3_544 |
6 |
3 |
21187 |
26.2 |
-0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
37 |
71 |
|
L |
3 |
2 |
7193 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
9226 |
19.1 |
-0.6 |
0.531 |
0 |
0 |
0 |
0.007 |
72 |
|
H |
2 |
1 |
7210 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
9231 |
17.0 |
-0.6 |
0.427 |
0 |
0 |
0 |
0.007 |
73 |
|
D |
2 |
1 |
7199 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
9234 |
13.8 |
-0.5 |
0.476 |
0 |
0 |
0 |
0.007 |
Average: |
16.6 |
-0.6 |
0.478 |
0 |
0 |
0 |
0.007 |
38 |
74 |
|
[FAD]I:601 |
1 |
1 |
1000 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
12776 |
17.4 |
-0.1 |
0.435 |
0 |
0 |
0 |
0.000 |
75 |
|
[FAD]E:601 |
1 |
1 |
1000 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
12775 |
16.4 |
-0.1 |
0.431 |
0 |
0 |
0 |
0.000 |
76 |
|
[FAD]A:601 |
1 |
1 |
1002 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12777 |
15.7 |
-0.1 |
0.453 |
0 |
0 |
0 |
0.000 |
Average: |
16.5 |
-0.1 |
0.440 |
0 |
0 |
0 |
0.001 |
39 |
77 |
|
E |
4 |
3 |
21176 |
◊ |
I |
-x,y-1/2,-z-1/2 |
3_544 |
3 |
1 |
21174 |
14.7 |
0.3 |
0.706 |
0 |
0 |
0 |
0.000 |
40 |
78 |
|
J |
3 |
1 |
12776 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
12775 |
12.2 |
0.3 |
0.743 |
0 |
0 |
0 |
0.000 |
79 |
|
F |
3 |
1 |
12775 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12777 |
8.3 |
0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
Average: |
10.2 |
0.2 |
0.724 |
0 |
0 |
0 |
0.000 |
41 |
80 |
|
I |
1 |
1 |
21174 |
◊ |
K |
x-1,y,z |
1_455 |
1 |
1 |
9234 |
6.7 |
0.2 |
0.859 |
0 |
0 |
0 |
0.000 |
42 |
81 |
|
[PCI]C:1131 |
1 |
1 |
352 |
f |
[HEM]C:1130 |
x,y,z |
1_555 |
1 |
1 |
804 |
6.1 |
-0.9 |
0.368 |
0 |
0 |
0 |
0.013 |
82 |
|
[PCI]K:1131 |
1 |
1 |
354 |
f |
[HEM]K:1130 |
x,y,z |
1_555 |
1 |
1 |
804 |
4.5 |
-0.7 |
0.418 |
0 |
0 |
0 |
0.013 |
Average: |
5.3 |
-0.8 |
0.393 |
0 |
0 |
0 |
0.013 |
43 |
83 |
|
I |
1 |
1 |
21174 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
21176 |
4.1 |
0.2 |
0.833 |
0 |
0 |
0 |
0.000 |
84 |
|
E |
1 |
1 |
21176 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21187 |
2.7 |
0.1 |
0.801 |
0 |
0 |
0 |
0.000 |
Average: |
3.4 |
0.2 |
0.817 |
0 |
0 |
0 |
0.000 |
44 |
85 |
|
[PCI]G:1131 |
1 |
1 |
354 |
f |
[HEM]G:1130 |
x,y,z |
1_555 |
1 |
1 |
803 |
2.9 |
-0.4 |
0.451 |
0 |
0 |
0 |
0.006 |
45 |
86 |
|
[FES]B:302 |
1 |
1 |
234 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
21187 |
0.3 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|