## |
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 |
91 |
27 |
11268 |
◊ |
A |
x,y,z |
1_555 |
91 |
29 |
11316 |
826.8 |
-10.5 |
0.199 |
6 |
4 |
0 |
0.059 |
2 |
|
D |
87 |
27 |
11195 |
◊ |
C |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
90 |
27 |
11193 |
801.6 |
-11.6 |
0.137 |
2 |
1 |
0 |
0.059 |
Average: |
814.2 |
-11.0 |
0.168 |
4 |
3 |
0 |
0.059 |
2 |
3 |
|
C |
64 |
22 |
11193 |
◊ |
A |
x,y,z |
1_555 |
54 |
19 |
11316 |
537.9 |
-2.2 |
0.551 |
11 |
0 |
0 |
0.032 |
4 |
|
D |
48 |
17 |
11195 |
◊ |
B |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
58 |
20 |
11268 |
473.2 |
-4.1 |
0.394 |
8 |
0 |
0 |
0.032 |
Average: |
505.6 |
-3.2 |
0.473 |
10 |
0 |
0 |
0.032 |
3 |
5 |
|
C |
48 |
14 |
11193 |
◊ |
B |
x,y,z |
1_555 |
48 |
14 |
11268 |
464.2 |
-2.0 |
0.649 |
5 |
0 |
0 |
0.007 |
4 |
6 |
|
A |
43 |
15 |
11316 |
◊ |
C |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
46 |
14 |
11193 |
413.4 |
-1.4 |
0.634 |
6 |
4 |
0 |
0.000 |
7 |
|
D |
41 |
14 |
11195 |
◊ |
B |
x,y,z |
1_555 |
45 |
13 |
11268 |
412.1 |
-0.1 |
0.782 |
7 |
3 |
0 |
0.000 |
Average: |
412.8 |
-0.8 |
0.708 |
7 |
4 |
0 |
0.000 |
5 |
8 |
|
A |
40 |
12 |
11316 |
x |
A |
-y,x-y,z |
2_555 |
41 |
15 |
11316 |
351.0 |
-3.6 |
0.360 |
0 |
3 |
0 |
0.022 |
6 |
9 |
|
[82E]A:266 |
22 |
1 |
521 |
f |
A |
x,y,z |
1_555 |
35 |
17 |
11316 |
289.6 |
-2.7 |
0.165 |
4 |
0 |
0 |
0.048 |
10 |
|
[82E]C:265 |
22 |
1 |
521 |
f |
C |
x,y,z |
1_555 |
34 |
17 |
11193 |
287.6 |
-3.2 |
0.158 |
4 |
0 |
0 |
0.048 |
11 |
|
[82E]D:269 |
22 |
1 |
523 |
f |
D |
x,y,z |
1_555 |
36 |
17 |
11195 |
286.1 |
-3.0 |
0.185 |
5 |
0 |
0 |
0.048 |
Average: |
287.8 |
-3.0 |
0.170 |
4 |
0 |
0 |
0.048 |
7 |
12 |
|
[82E]B:267 |
22 |
1 |
522 |
f |
B |
x,y,z |
1_555 |
35 |
17 |
11268 |
286.4 |
-3.1 |
0.179 |
4 |
0 |
0 |
0.020 |
8 |
13 |
|
B |
20 |
6 |
11268 |
x |
B |
-y,x-y,z |
2_555 |
32 |
9 |
11268 |
247.3 |
-1.4 |
0.599 |
1 |
0 |
0 |
0.006 |
9 |
14 |
|
D |
25 |
12 |
11195 |
◊ |
A |
x,y,z |
1_555 |
22 |
10 |
11316 |
222.8 |
-3.3 |
0.251 |
0 |
0 |
0 |
0.000 |
10 |
15 |
|
[TRS]B:1267 |
7 |
1 |
256 |
f |
B |
x,y,z |
1_555 |
30 |
12 |
11268 |
144.3 |
3.1 |
0.388 |
3 |
0 |
0 |
0.000 |
11 |
16 |
|
[TRS]D:1265 |
7 |
1 |
257 |
◊ |
D |
x,y,z |
1_555 |
30 |
11 |
11195 |
133.0 |
3.3 |
0.232 |
2 |
0 |
0 |
0.000 |
17 |
|
[TRS]A:1270 |
7 |
1 |
257 |
◊ |
A |
x,y,z |
1_555 |
29 |
10 |
11316 |
129.6 |
3.2 |
0.261 |
2 |
0 |
0 |
0.000 |
Average: |
131.3 |
3.2 |
0.246 |
2 |
0 |
0 |
0.000 |
12 |
18 |
|
A |
11 |
2 |
11316 |
◊ |
B |
-y,x-y,z |
2_555 |
13 |
4 |
11268 |
119.0 |
-1.3 |
0.369 |
1 |
0 |
0 |
0.005 |
13 |
19 |
|
[GOL]B:1261 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
17 |
10 |
11268 |
117.9 |
0.0 |
0.627 |
4 |
0 |
0 |
0.007 |
14 |
20 |
|
[GOL]C:1261 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
18 |
10 |
11193 |
117.5 |
0.0 |
0.626 |
4 |
0 |
0 |
0.008 |
15 |
21 |
|
[GOL]A:1261 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
16 |
10 |
11316 |
117.1 |
0.2 |
0.633 |
5 |
0 |
0 |
0.011 |
16 |
22 |
|
[SO4]C:1264 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
29 |
13 |
11193 |
116.7 |
-19.0 |
0.691 |
3 |
0 |
0 |
0.094 |
17 |
23 |
|
[SO4]A:1269 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
27 |
13 |
11316 |
116.6 |
-19.2 |
0.674 |
3 |
0 |
0 |
0.111 |
18 |
24 |
|
[GOL]D:1261 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
17 |
10 |
11195 |
116.4 |
-0.1 |
0.579 |
4 |
0 |
0 |
0.009 |
19 |
25 |
|
[SO4]A:1268 |
5 |
1 |
189 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
11316 |
110.9 |
-17.1 |
0.652 |
2 |
0 |
0 |
0.097 |
20 |
26 |
|
[SO4]A:1265 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
15 |
9 |
11316 |
110.5 |
-16.4 |
0.693 |
0 |
0 |
0 |
0.088 |
21 |
27 |
|
C |
8 |
3 |
11193 |
◊ |
B |
-y,x-y,z |
2_555 |
13 |
3 |
11268 |
107.1 |
-2.9 |
0.081 |
0 |
0 |
0 |
0.005 |
22 |
28 |
|
[SO4]B:1266 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
15 |
9 |
11268 |
105.9 |
-15.9 |
0.717 |
1 |
0 |
0 |
0.067 |
23 |
29 |
|
[SO4]A:1264 |
5 |
1 |
187 |
f |
A |
-y,x-y,z |
2_555 |
18 |
6 |
11316 |
102.3 |
-16.1 |
0.712 |
4 |
0 |
0 |
0.096 |
24 |
30 |
|
[SO4]B:1263 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
17 |
7 |
11268 |
100.6 |
-14.5 |
0.935 |
3 |
0 |
0 |
0.066 |
25 |
31 |
|
[SO4]B:1265 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
13 |
6 |
11268 |
100.1 |
-15.0 |
0.701 |
1 |
0 |
0 |
0.064 |
26 |
32 |
|
[SO4]A:1266 |
5 |
1 |
188 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
11316 |
97.1 |
-14.2 |
0.678 |
1 |
0 |
0 |
0.079 |
27 |
33 |
|
[SO4]C:1262 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
11193 |
95.5 |
-12.9 |
0.942 |
4 |
0 |
0 |
0.089 |
34 |
|
[SO4]A:1262 |
5 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
11316 |
75.6 |
-9.9 |
0.941 |
3 |
0 |
0 |
0.089 |
Average: |
85.6 |
-11.4 |
0.942 |
4 |
0 |
0 |
0.089 |
28 |
35 |
|
[SO4]D:1263 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
11195 |
94.3 |
-13.5 |
0.777 |
5 |
0 |
0 |
0.073 |
29 |
36 |
|
[SO4]D:1264 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
11195 |
93.0 |
-14.9 |
0.727 |
1 |
0 |
0 |
0.071 |
30 |
37 |
|
[SO4]B:1264 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
4 |
11268 |
91.2 |
-13.3 |
0.846 |
5 |
0 |
0 |
0.064 |
31 |
38 |
|
D |
12 |
4 |
11195 |
◊ |
B |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
7 |
3 |
11268 |
87.4 |
-0.4 |
0.526 |
0 |
0 |
0 |
0.000 |
32 |
39 |
|
[SO4]A:1263 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
11316 |
86.2 |
-11.8 |
0.875 |
5 |
0 |
0 |
0.075 |
33 |
40 |
|
[SO4]D:1262 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
11195 |
86.1 |
-11.7 |
0.880 |
5 |
0 |
0 |
0.065 |
34 |
41 |
|
D |
17 |
6 |
11195 |
f |
[SO4]B:1262 |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
5 |
1 |
186 |
76.0 |
-10.0 |
0.945 |
3 |
0 |
0 |
0.053 |
35 |
42 |
|
[SO4]C:1263 |
5 |
1 |
188 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
11193 |
69.1 |
-10.1 |
0.724 |
3 |
0 |
0 |
0.053 |
36 |
43 |
|
[SO4]A:1267 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
11316 |
67.4 |
-9.7 |
0.768 |
1 |
0 |
0 |
0.055 |
37 |
44 |
|
A |
4 |
2 |
11316 |
◊ |
D |
-y,x-y,z |
2_555 |
8 |
4 |
11195 |
59.6 |
0.2 |
0.591 |
0 |
0 |
0 |
0.000 |
38 |
45 |
|
[GOL]D:1261 |
4 |
1 |
220 |
f |
[82E]D:269 |
x,y,z |
1_555 |
11 |
1 |
523 |
52.9 |
0.4 |
0.472 |
0 |
0 |
0 |
0.000 |
39 |
46 |
|
[SO4]A:1267 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
11193 |
51.5 |
-6.9 |
0.684 |
0 |
0 |
0 |
0.023 |
40 |
47 |
|
[GOL]A:1261 |
4 |
1 |
218 |
f |
[82E]A:266 |
x,y,z |
1_555 |
9 |
1 |
521 |
48.3 |
0.6 |
0.521 |
0 |
0 |
0 |
0.000 |
41 |
48 |
|
A |
9 |
3 |
11316 |
◊ |
[82E]C:265 |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
1 |
1 |
521 |
47.4 |
2.0 |
0.811 |
0 |
0 |
0 |
0.000 |
42 |
49 |
|
[GOL]B:1261 |
4 |
1 |
219 |
f |
[82E]B:267 |
x,y,z |
1_555 |
10 |
1 |
522 |
47.2 |
0.2 |
0.453 |
0 |
0 |
0 |
0.000 |
43 |
50 |
|
[TRS]D:1265 |
4 |
1 |
257 |
◊ |
[SO4]B:1262 |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
4 |
1 |
186 |
46.9 |
-4.6 |
0.986 |
2 |
0 |
0 |
0.023 |
44 |
51 |
|
[SO4]D:1264 |
4 |
1 |
186 |
◊ |
C |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
7 |
3 |
11193 |
46.6 |
-6.2 |
0.713 |
0 |
0 |
0 |
0.029 |
45 |
52 |
|
[TRS]A:1270 |
4 |
1 |
257 |
◊ |
[SO4]A:1262 |
x,y,z |
1_555 |
4 |
1 |
187 |
46.3 |
-4.6 |
0.999 |
2 |
0 |
0 |
0.019 |
46 |
53 |
|
[GOL]C:1261 |
3 |
1 |
221 |
f |
[82E]C:265 |
x,y,z |
1_555 |
10 |
1 |
521 |
45.7 |
-0.0 |
0.404 |
0 |
0 |
0 |
0.000 |
47 |
54 |
|
[TRS]B:1267 |
4 |
1 |
256 |
f |
[SO4]B:1263 |
x,y,z |
1_555 |
4 |
1 |
186 |
43.9 |
-4.8 |
0.999 |
2 |
0 |
0 |
0.023 |
48 |
55 |
|
[82E]B:267 |
1 |
1 |
522 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
11195 |
43.6 |
1.8 |
0.831 |
0 |
0 |
0 |
0.000 |
49 |
56 |
|
[SO4]A:1264 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
11316 |
43.1 |
-5.5 |
0.770 |
1 |
0 |
0 |
0.032 |
50 |
57 |
|
[SO4]B:1262 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
11268 |
42.1 |
-4.1 |
0.919 |
2 |
0 |
0 |
0.020 |
51 |
58 |
|
[TRS]B:1267 |
5 |
1 |
256 |
f |
[SO4]B:1265 |
x,y,z |
1_555 |
4 |
1 |
187 |
40.3 |
-4.2 |
0.999 |
1 |
0 |
0 |
0.019 |
52 |
59 |
|
[SO4]A:1262 |
4 |
1 |
187 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
11193 |
40.3 |
-4.4 |
0.775 |
1 |
0 |
0 |
0.017 |
53 |
60 |
|
[SO4]A:1267 |
4 |
1 |
186 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11268 |
37.6 |
-4.8 |
0.555 |
0 |
0 |
0 |
0.016 |
54 |
61 |
|
[82E]A:266 |
5 |
1 |
521 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
11195 |
37.4 |
1.1 |
0.671 |
0 |
0 |
0 |
0.000 |
62 |
|
[82E]D:269 |
5 |
1 |
523 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
11316 |
36.9 |
0.6 |
0.576 |
0 |
0 |
0 |
0.000 |
Average: |
37.2 |
0.8 |
0.623 |
0 |
0 |
0 |
0.000 |
55 |
63 |
|
[TRS]A:1270 |
5 |
1 |
257 |
◊ |
[SO4]A:1266 |
x,y,z |
1_555 |
3 |
1 |
188 |
36.4 |
-3.6 |
0.996 |
2 |
0 |
0 |
0.015 |
56 |
64 |
|
[SO4]D:1262 |
4 |
1 |
186 |
◊ |
B |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
2 |
1 |
11268 |
34.6 |
-3.8 |
0.734 |
1 |
0 |
0 |
0.018 |
57 |
65 |
|
[ZN]B:1260 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
11268 |
34.3 |
-24.9 |
0.000 |
0 |
0 |
0 |
0.231 |
66 |
|
[ZN]C:1260 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
8 |
6 |
11193 |
34.2 |
-24.7 |
0.000 |
0 |
0 |
0 |
0.231 |
67 |
|
[ZN]A:1260 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
5 |
11316 |
34.2 |
-25.1 |
0.000 |
0 |
0 |
0 |
0.231 |
68 |
|
[ZN]D:1260 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
11195 |
34.0 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.231 |
Average: |
34.2 |
-25.0 |
0.000 |
0 |
0 |
0 |
0.231 |
58 |
69 |
|
[SO4]A:1263 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
11193 |
34.1 |
-3.8 |
0.721 |
1 |
0 |
0 |
0.015 |
59 |
70 |
|
[ZN]D:1260 |
1 |
1 |
98 |
f |
[82E]D:269 |
x,y,z |
1_555 |
3 |
1 |
523 |
30.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.113 |
71 |
|
[ZN]A:1260 |
1 |
1 |
98 |
f |
[82E]A:266 |
x,y,z |
1_555 |
3 |
1 |
521 |
30.0 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.113 |
72 |
|
[ZN]B:1260 |
1 |
1 |
98 |
f |
[82E]B:267 |
x,y,z |
1_555 |
4 |
1 |
522 |
29.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.113 |
73 |
|
[ZN]C:1260 |
1 |
1 |
98 |
f |
[82E]C:265 |
x,y,z |
1_555 |
3 |
1 |
521 |
29.1 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
29.8 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.113 |
60 |
74 |
|
A |
4 |
2 |
11316 |
◊ |
[SO4]A:1268 |
-y,x-y,z |
2_555 |
2 |
1 |
189 |
28.7 |
-3.4 |
0.888 |
1 |
0 |
0 |
0.020 |
61 |
75 |
|
[SO4]B:1264 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
11195 |
27.3 |
-3.8 |
0.584 |
0 |
0 |
0 |
0.000 |
62 |
76 |
|
[SO4]A:1265 |
3 |
1 |
187 |
◊ |
A |
-y,x-y,z |
2_555 |
3 |
1 |
11316 |
22.3 |
-3.0 |
0.512 |
0 |
0 |
0 |
0.016 |
63 |
77 |
|
[TRS]D:1265 |
1 |
1 |
257 |
f |
B |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
1 |
1 |
11268 |
9.7 |
0.2 |
0.913 |
0 |
0 |
0 |
0.000 |
78 |
|
[TRS]A:1270 |
2 |
1 |
257 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
11193 |
9.7 |
0.1 |
0.710 |
0 |
0 |
0 |
0.000 |
Average: |
9.7 |
0.2 |
0.811 |
0 |
0 |
0 |
0.000 |
64 |
79 |
|
[GOL]C:1261 |
2 |
1 |
221 |
f |
[ZN]C:1260 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.015 |
65 |
80 |
|
[GOL]B:1261 |
2 |
1 |
219 |
f |
[ZN]B:1260 |
x,y,z |
1_555 |
1 |
1 |
98 |
8.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.019 |
81 |
|
[GOL]A:1261 |
2 |
1 |
218 |
f |
[ZN]A:1260 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.4 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
7.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.019 |
66 |
82 |
|
[SO4]D:1264 |
1 |
1 |
186 |
◊ |
B |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
1 |
1 |
11268 |
8.4 |
-0.8 |
0.828 |
0 |
0 |
0 |
0.003 |
67 |
83 |
|
[GOL]D:1261 |
2 |
1 |
220 |
f |
[ZN]D:1260 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.013 |
68 |
84 |
|
[SO4]B:1264 |
1 |
1 |
186 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11316 |
6.7 |
-0.8 |
0.730 |
0 |
0 |
0 |
0.002 |
69 |
85 |
|
[82E]D:269 |
1 |
1 |
523 |
◊ |
[82E]A:266 |
x,y,z |
1_555 |
1 |
1 |
521 |
1.0 |
0.1 |
0.545 |
0 |
0 |
0 |
0.000 |
70 |
86 |
|
A |
1 |
1 |
11316 |
◊ |
C |
-x+y-1/3,-x-2/3,z+1/3 |
6_445 |
1 |
1 |
11193 |
0.6 |
-0.0 |
0.554 |
0 |
0 |
0 |
0.000 |
71 |
87 |
|
[SO4]A:1266 |
1 |
1 |
188 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11193 |
0.4 |
-0.0 |
0.828 |
0 |
0 |
0 |
0.000 |
|