## |
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 |
236 |
65 |
33152 |
◊ |
A |
x,y,z |
1_555 |
233 |
65 |
33346 |
2235.8 |
-13.9 |
0.184 |
35 |
22 |
0 |
0.218 |
2 |
2 |
|
A |
75 |
19 |
33346 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
73 |
20 |
33152 |
640.2 |
-0.4 |
0.624 |
15 |
0 |
0 |
0.000 |
3 |
3 |
|
A |
29 |
7 |
33346 |
◊ |
B |
-x+3/2,-y+1,z-1/2 |
2_664 |
41 |
14 |
33152 |
294.9 |
-2.0 |
0.383 |
5 |
0 |
0 |
0.000 |
4 |
4 |
|
A |
29 |
9 |
33346 |
x |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
30 |
10 |
33346 |
268.5 |
-2.5 |
0.279 |
1 |
1 |
0 |
0.000 |
5 |
5 |
|
[GOL]A:3002 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
23 |
11 |
33346 |
143.0 |
-1.1 |
0.430 |
2 |
0 |
0 |
0.013 |
6 |
6 |
|
[GOL]B:3012 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
33152 |
142.2 |
-0.9 |
0.494 |
5 |
0 |
0 |
0.021 |
7 |
7 |
|
[GOL]A:3003 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
25 |
13 |
33346 |
142.1 |
-0.9 |
0.498 |
4 |
0 |
0 |
0.018 |
8 |
8 |
|
[GOL]B:3010 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
20 |
11 |
33152 |
141.9 |
-1.0 |
0.427 |
2 |
0 |
0 |
0.013 |
9 |
9 |
|
[GOL]A:3017 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
33346 |
133.8 |
0.7 |
0.701 |
6 |
0 |
0 |
0.013 |
10 |
10 |
|
[GOL]A:3026 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
22 |
11 |
33346 |
133.6 |
-0.3 |
0.541 |
2 |
0 |
0 |
0.008 |
11 |
11 |
|
[GOL]B:3025 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
22 |
12 |
33152 |
132.1 |
0.2 |
0.640 |
2 |
0 |
0 |
0.004 |
12 |
12 |
|
[GOL]B:3018 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
33152 |
130.4 |
0.8 |
0.747 |
7 |
0 |
0 |
0.015 |
13 |
13 |
|
[GOL]A:3008 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
33346 |
130.1 |
-0.5 |
0.507 |
5 |
0 |
0 |
0.036 |
14 |
|
[GOL]B:3020 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
21 |
8 |
33152 |
128.5 |
-0.5 |
0.505 |
5 |
0 |
0 |
0.036 |
Average: |
129.3 |
-0.5 |
0.506 |
5 |
0 |
0 |
0.036 |
14 |
15 |
|
[GOL]B:3037 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
33152 |
130.1 |
-0.8 |
0.509 |
3 |
0 |
0 |
0.014 |
15 |
16 |
|
[GOL]B:3014 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
27 |
14 |
33152 |
128.0 |
-1.3 |
0.395 |
7 |
0 |
0 |
0.029 |
16 |
17 |
|
[GOL]A:3027 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
33346 |
125.3 |
-0.8 |
0.435 |
1 |
0 |
0 |
0.009 |
17 |
18 |
|
[GOL]A:3007 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
33346 |
124.4 |
-0.9 |
0.450 |
7 |
0 |
0 |
0.027 |
18 |
19 |
|
[GOL]A:3030 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
33346 |
122.2 |
-0.9 |
0.429 |
1 |
0 |
0 |
0.009 |
19 |
20 |
|
[GOL]B:3029 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
33152 |
120.0 |
-0.9 |
0.426 |
3 |
0 |
0 |
0.015 |
20 |
21 |
|
[GOL]A:3001 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
33346 |
119.4 |
0.7 |
0.706 |
6 |
0 |
0 |
0.028 |
22 |
|
[GOL]B:3005 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
33152 |
117.8 |
0.5 |
0.663 |
6 |
0 |
0 |
0.028 |
Average: |
118.6 |
0.6 |
0.685 |
6 |
0 |
0 |
0.028 |
21 |
23 |
|
[GOL]A:3035 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
19 |
8 |
33346 |
118.4 |
-0.4 |
0.500 |
3 |
0 |
0 |
0.011 |
22 |
24 |
|
[GOL]A:3019 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
33346 |
118.1 |
-0.2 |
0.601 |
3 |
0 |
0 |
0.010 |
23 |
25 |
|
[GOL]B:3011 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
33152 |
116.7 |
-0.3 |
0.581 |
3 |
0 |
0 |
0.011 |
24 |
26 |
|
[GOL]B:3028 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
33152 |
116.2 |
-0.1 |
0.562 |
1 |
0 |
0 |
0.004 |
25 |
27 |
|
[GOL]A:3022 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
33346 |
111.8 |
-0.8 |
0.469 |
2 |
0 |
0 |
0.022 |
28 |
|
[GOL]B:3021 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
33152 |
110.5 |
-0.7 |
0.437 |
2 |
0 |
0 |
0.022 |
Average: |
111.2 |
-0.8 |
0.453 |
2 |
0 |
0 |
0.022 |
26 |
29 |
|
[GOL]B:3042 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
33152 |
111.5 |
-0.1 |
0.569 |
3 |
0 |
0 |
0.009 |
27 |
30 |
|
[GOL]B:3034 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
33152 |
108.6 |
-0.2 |
0.551 |
4 |
0 |
0 |
0.013 |
28 |
31 |
|
[GOL]A:3040 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
33346 |
107.2 |
0.6 |
0.665 |
3 |
0 |
0 |
0.005 |
29 |
32 |
|
[GOL]B:3036 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
33152 |
101.7 |
1.4 |
0.788 |
1 |
0 |
0 |
0.000 |
30 |
33 |
|
[GOL]B:3024 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
33152 |
100.9 |
0.3 |
0.637 |
3 |
0 |
0 |
0.007 |
31 |
34 |
|
[GOL]A:3033 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
33346 |
99.8 |
-0.1 |
0.611 |
3 |
0 |
0 |
0.010 |
32 |
35 |
|
[GOL]B:3032 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
33152 |
96.9 |
-0.2 |
0.570 |
3 |
0 |
0 |
0.010 |
33 |
36 |
|
[GOL]B:3016 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
14 |
3 |
33152 |
94.1 |
0.1 |
0.641 |
3 |
0 |
0 |
0.008 |
34 |
37 |
|
[GOL]B:3038 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
33152 |
93.6 |
0.3 |
0.584 |
2 |
0 |
0 |
0.004 |
35 |
38 |
|
[GOL]A:3015 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
33346 |
89.8 |
0.6 |
0.686 |
5 |
0 |
0 |
0.011 |
36 |
39 |
|
[GOL]B:3041 |
5 |
1 |
213 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
33152 |
88.9 |
-0.3 |
0.529 |
3 |
0 |
0 |
0.011 |
37 |
40 |
|
[GOL]B:3013 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
33152 |
86.6 |
-1.4 |
0.339 |
0 |
0 |
0 |
0.019 |
41 |
|
[GOL]A:3004 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
33346 |
86.2 |
-1.5 |
0.331 |
0 |
0 |
0 |
0.019 |
Average: |
86.4 |
-1.4 |
0.335 |
0 |
0 |
0 |
0.019 |
38 |
42 |
|
[GOL]A:3006 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
33152 |
85.9 |
-1.5 |
0.308 |
0 |
0 |
0 |
0.010 |
39 |
43 |
|
[GOL]B:3009 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
33346 |
84.0 |
-1.7 |
0.247 |
0 |
0 |
0 |
0.011 |
40 |
44 |
|
B |
14 |
4 |
33152 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
3 |
33346 |
82.0 |
-0.1 |
0.572 |
1 |
1 |
0 |
0.000 |
41 |
45 |
|
[GOL]B:3009 |
6 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
33152 |
80.2 |
0.4 |
0.664 |
3 |
0 |
0 |
0.006 |
42 |
46 |
|
[GOL]A:3006 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
33346 |
80.2 |
0.0 |
0.603 |
1 |
0 |
0 |
0.003 |
43 |
47 |
|
[GOL]A:3023 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
33346 |
79.9 |
0.4 |
0.677 |
4 |
0 |
0 |
0.009 |
44 |
48 |
|
[GOL]A:3039 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
33346 |
76.9 |
-0.2 |
0.579 |
2 |
0 |
0 |
0.007 |
45 |
49 |
|
[GOL]A:3043 |
5 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
33346 |
72.3 |
-0.3 |
0.468 |
2 |
0 |
0 |
0.008 |
46 |
50 |
|
[GOL]A:3023 |
4 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
12 |
7 |
33152 |
69.8 |
0.6 |
0.690 |
2 |
0 |
0 |
0.002 |
47 |
51 |
|
[GOL]A:3031 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
33346 |
64.9 |
0.1 |
0.592 |
2 |
0 |
0 |
0.005 |
48 |
52 |
|
[GOL]A:3039 |
6 |
1 |
217 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
10 |
4 |
33152 |
58.1 |
0.8 |
0.733 |
1 |
0 |
0 |
0.000 |
49 |
53 |
|
[GOL]B:3024 |
3 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
33346 |
54.9 |
0.4 |
0.595 |
1 |
0 |
0 |
0.000 |
50 |
54 |
|
[GOL]B:3032 |
6 |
1 |
219 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
7 |
2 |
33346 |
45.3 |
-0.0 |
0.572 |
1 |
0 |
0 |
0.000 |
51 |
55 |
|
A |
8 |
3 |
33346 |
◊ |
[GOL]B:3041 |
-x+2,y-1/2,-z+1/2 |
3_745 |
5 |
1 |
213 |
40.3 |
0.5 |
0.718 |
1 |
0 |
0 |
0.000 |
52 |
56 |
|
A |
3 |
2 |
33346 |
◊ |
[GOL]B:3038 |
-x+3/2,-y+1,z-1/2 |
2_664 |
3 |
1 |
219 |
40.2 |
-0.4 |
0.236 |
0 |
0 |
0 |
0.000 |
53 |
57 |
|
[CA]A:4001 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
33346 |
39.6 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.106 |
58 |
|
[CA]B:4003 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
33152 |
38.2 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.106 |
Average: |
38.9 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.106 |
54 |
59 |
|
[GOL]B:3020 |
4 |
1 |
218 |
f |
[GOL]B:3011 |
x,y,z |
1_555 |
2 |
1 |
219 |
36.9 |
0.0 |
0.614 |
1 |
0 |
0 |
0.003 |
55 |
60 |
|
[GOL]B:3021 |
2 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
33346 |
35.0 |
0.0 |
0.663 |
1 |
0 |
0 |
0.002 |
61 |
|
[GOL]A:3022 |
2 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
33152 |
34.2 |
0.0 |
0.670 |
0 |
0 |
0 |
0.002 |
Average: |
34.6 |
0.0 |
0.666 |
1 |
0 |
0 |
0.002 |
56 |
62 |
|
[GOL]A:3019 |
2 |
1 |
219 |
f |
[GOL]A:3008 |
x,y,z |
1_555 |
4 |
1 |
218 |
32.6 |
0.3 |
0.696 |
2 |
0 |
0 |
0.004 |
57 |
63 |
|
[GOL]A:3043 |
3 |
1 |
216 |
f |
[GOL]A:3039 |
x,y,z |
1_555 |
3 |
1 |
217 |
30.5 |
0.6 |
0.750 |
1 |
0 |
0 |
0.000 |
58 |
64 |
|
[GOL]A:3043 |
3 |
1 |
216 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
3 |
1 |
33152 |
29.8 |
0.6 |
0.801 |
1 |
0 |
0 |
0.000 |
59 |
65 |
|
[GOL]A:3026 |
3 |
1 |
220 |
f |
[GOL]A:3007 |
x,y,z |
1_555 |
4 |
1 |
217 |
29.0 |
-0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
60 |
66 |
|
[GOL]B:3025 |
3 |
1 |
218 |
f |
[GOL]B:3014 |
x,y,z |
1_555 |
3 |
1 |
217 |
28.9 |
-0.1 |
0.586 |
0 |
0 |
0 |
0.000 |
61 |
67 |
|
[GOL]B:3041 |
3 |
1 |
213 |
f |
[CA]B:4002 |
x,y,z |
1_555 |
1 |
1 |
85 |
28.7 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.053 |
68 |
|
[GOL]A:3043 |
4 |
1 |
216 |
f |
[CA]A:4004 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.8 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.053 |
Average: |
26.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.053 |
62 |
69 |
|
[GOL]B:3042 |
3 |
1 |
220 |
f |
[CA]B:4003 |
x,y,z |
1_555 |
1 |
1 |
85 |
27.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.081 |
70 |
|
[GOL]A:3040 |
4 |
1 |
217 |
f |
[CA]A:4001 |
x,y,z |
1_555 |
1 |
1 |
85 |
27.1 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.081 |
71 |
|
[GOL]A:3039 |
3 |
1 |
217 |
f |
[CA]A:4004 |
x,y,z |
1_555 |
1 |
1 |
85 |
23.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.081 |
Average: |
26.2 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.081 |
63 |
72 |
|
A |
3 |
1 |
33346 |
◊ |
[CA]B:4002 |
-x+2,y-1/2,-z+1/2 |
3_745 |
1 |
1 |
85 |
24.7 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
|
[CA]A:4004 |
1 |
1 |
85 |
◊ |
B |
-x+2,y-1/2,-z+1/2 |
3_745 |
3 |
1 |
33152 |
18.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
21.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
64 |
74 |
|
[GOL]A:3043 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
4 |
1 |
33152 |
23.3 |
0.3 |
0.533 |
0 |
0 |
0 |
0.000 |
65 |
75 |
|
[CA]B:4002 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
33152 |
22.0 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.041 |
76 |
|
[CA]A:4004 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
33346 |
18.0 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.041 |
Average: |
20.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.041 |
66 |
77 |
|
[GOL]A:3040 |
2 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
33152 |
20.8 |
0.2 |
0.706 |
0 |
0 |
0 |
0.000 |
67 |
78 |
|
[GOL]B:3042 |
2 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
33346 |
16.7 |
0.3 |
0.703 |
0 |
0 |
0 |
0.000 |
68 |
79 |
|
[GOL]A:3035 |
2 |
1 |
220 |
f |
[GOL]A:3023 |
x,y,z |
1_555 |
1 |
1 |
218 |
13.7 |
-0.2 |
0.540 |
0 |
0 |
0 |
0.002 |
69 |
80 |
|
[GOL]B:3036 |
2 |
1 |
218 |
f |
[GOL]B:3024 |
x,y,z |
1_555 |
1 |
1 |
218 |
8.3 |
-0.0 |
0.540 |
0 |
0 |
0 |
0.000 |
70 |
81 |
|
[GOL]A:3033 |
1 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
33152 |
5.8 |
-0.2 |
0.349 |
0 |
0 |
0 |
0.001 |
71 |
82 |
|
[GOL]B:3005 |
1 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
33346 |
5.3 |
0.1 |
0.553 |
0 |
0 |
0 |
0.000 |
83 |
|
[GOL]A:3001 |
1 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
33152 |
4.3 |
0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
Average: |
4.8 |
0.1 |
0.552 |
0 |
0 |
0 |
0.000 |
72 |
84 |
|
[GOL]B:3005 |
1 |
1 |
218 |
◊ |
[GOL]A:3040 |
x,y,z |
1_555 |
1 |
1 |
217 |
3.1 |
-0.1 |
0.500 |
0 |
0 |
0 |
0.000 |
73 |
85 |
|
[GOL]B:3034 |
1 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
33346 |
2.1 |
-0.1 |
0.440 |
0 |
0 |
0 |
0.000 |
74 |
86 |
|
A |
1 |
1 |
33346 |
◊ |
[GOL]A:3033 |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
219 |
0.9 |
0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
|