| ## |
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 |
|
D |
121 |
37 |
6723 |
◊ |
C |
x,y,z |
1_555 |
119 |
33 |
6983 |
1155.3 |
-19.0 |
0.086 |
19 |
1 |
2 |
0.833 |
2 |
|
B |
121 |
35 |
6909 |
◊ |
A |
x,y,z |
1_555 |
126 |
35 |
6963 |
1110.9 |
-20.9 |
0.065 |
17 |
1 |
2 |
0.833 |
| Average: |
1133.1 |
-19.9 |
0.076 |
18 |
1 |
2 |
0.833 |
| 2 |
3 |
|
C |
75 |
19 |
6983 |
◊ |
B |
-x+1,y,-z |
5_655 |
72 |
20 |
6909 |
669.0 |
-1.7 |
0.704 |
13 |
4 |
0 |
0.192 |
4 |
|
D |
72 |
19 |
6723 |
◊ |
A |
-y+1,-x+1,-z+1/4 |
8_665 |
72 |
18 |
6963 |
645.5 |
-2.1 |
0.708 |
10 |
3 |
0 |
0.192 |
| Average: |
657.2 |
-1.9 |
0.706 |
12 |
4 |
0 |
0.192 |
| 3 |
5 |
|
D |
53 |
14 |
6723 |
◊ |
A |
x,y,z |
1_555 |
48 |
16 |
6963 |
471.6 |
-2.8 |
0.576 |
9 |
4 |
0 |
0.217 |
6 |
|
C |
49 |
16 |
6983 |
◊ |
B |
x,y,z |
1_555 |
56 |
14 |
6909 |
462.9 |
-2.6 |
0.563 |
9 |
4 |
0 |
0.217 |
| Average: |
467.2 |
-2.7 |
0.569 |
9 |
4 |
0 |
0.217 |
| 4 |
7 |
|
B |
26 |
9 |
6909 |
◊ |
B |
-x,y,-z |
5_555 |
26 |
9 |
6909 |
224.6 |
-3.8 |
0.271 |
0 |
0 |
0 |
0.000 |
| 5 |
8 |
|
[NAG]D:1002 |
13 |
1 |
359 |
◊ |
A |
-y+1,-x+1,-z+1/4 |
8_665 |
29 |
10 |
6963 |
175.7 |
2.9 |
0.337 |
2 |
0 |
0 |
0.000 |
9 |
|
[NAG]B:1001 |
12 |
1 |
357 |
◊ |
C |
-x+1,y,-z |
5_655 |
26 |
10 |
6983 |
168.5 |
3.0 |
0.327 |
2 |
0 |
0 |
0.000 |
| Average: |
172.1 |
2.9 |
0.332 |
2 |
0 |
0 |
0.000 |
| 6 |
10 |
|
D |
18 |
5 |
6723 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
6909 |
149.6 |
-1.3 |
0.471 |
3 |
0 |
0 |
0.024 |
| 7 |
11 |
|
B |
14 |
5 |
6909 |
◊ |
A |
-x,y,-z |
5_555 |
12 |
5 |
6963 |
149.2 |
-2.0 |
0.336 |
1 |
0 |
0 |
0.000 |
| 8 |
12 |
|
[GOL]A:610 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
6909 |
99.8 |
-1.5 |
0.346 |
0 |
0 |
0 |
0.044 |
| 9 |
13 |
|
[BEN]A:1001 |
8 |
1 |
279 |
◊ |
D |
x,y,z |
1_555 |
15 |
8 |
6723 |
93.4 |
1.7 |
0.188 |
1 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[TRS]A:900 |
7 |
1 |
255 |
◊ |
D |
x,y,z |
1_555 |
15 |
3 |
6723 |
93.2 |
2.2 |
0.885 |
2 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[NAG]B:1001 |
8 |
1 |
357 |
cf |
B |
x,y,z |
1_555 |
11 |
3 |
6909 |
91.0 |
2.8 |
0.461 |
0 |
0 |
0 |
0.000 |
16 |
|
[NAG]D:1002 |
8 |
1 |
359 |
cf |
D |
x,y,z |
1_555 |
13 |
4 |
6723 |
88.1 |
2.8 |
0.481 |
0 |
0 |
0 |
0.000 |
| Average: |
89.5 |
2.8 |
0.471 |
0 |
0 |
0 |
0.000 |
| 12 |
17 |
|
[BEN]B:1002 |
8 |
1 |
277 |
◊ |
B |
x,y,z |
1_555 |
14 |
8 |
6909 |
89.6 |
1.6 |
0.177 |
1 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[GOL]C:603 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
6983 |
86.7 |
-0.5 |
0.545 |
2 |
0 |
0 |
0.042 |
| 14 |
19 |
|
[TRS]C:901 |
7 |
1 |
254 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
6909 |
86.0 |
2.4 |
0.866 |
3 |
0 |
0 |
0.000 |
| 15 |
20 |
|
[GOL]A:602 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
6963 |
83.7 |
-0.6 |
0.484 |
2 |
0 |
0 |
0.079 |
| 16 |
21 |
|
[GOL]B:604 |
5 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
6909 |
79.9 |
-1.1 |
0.435 |
0 |
0 |
0 |
0.032 |
| 17 |
22 |
|
[GOL]B:609 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
13 |
5 |
6909 |
76.4 |
-0.7 |
0.469 |
2 |
0 |
0 |
0.049 |
| 18 |
23 |
|
[GOL]B:608 |
5 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
11 |
6 |
6909 |
71.4 |
-0.2 |
0.555 |
2 |
0 |
0 |
0.031 |
| 19 |
24 |
|
[TRS]C:901 |
5 |
1 |
254 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
6983 |
70.2 |
2.1 |
0.894 |
3 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[GOL]A:601 |
5 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
6963 |
70.0 |
0.4 |
0.658 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
[BEN]D:1003 |
9 |
1 |
281 |
◊ |
B |
x,y,z |
1_555 |
7 |
2 |
6909 |
67.6 |
1.6 |
0.032 |
0 |
0 |
0 |
0.000 |
| 22 |
27 |
|
[BEN]B:1002 |
9 |
1 |
277 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
6983 |
66.3 |
1.3 |
0.088 |
2 |
0 |
0 |
0.000 |
| 23 |
28 |
|
[TRS]A:900 |
4 |
1 |
255 |
f |
A |
x,y,z |
1_555 |
8 |
3 |
6963 |
66.0 |
2.1 |
0.918 |
2 |
0 |
0 |
0.000 |
| 24 |
29 |
|
[BEN]D:1003 |
9 |
1 |
281 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
6723 |
65.8 |
1.8 |
0.033 |
0 |
0 |
0 |
0.000 |
| 25 |
30 |
|
[BEN]A:1001 |
9 |
1 |
279 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
6963 |
65.5 |
1.0 |
0.058 |
2 |
0 |
0 |
0.000 |
| 26 |
31 |
|
[GOL]B:608 |
5 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
6983 |
63.7 |
-0.4 |
0.533 |
1 |
0 |
0 |
0.024 |
| 27 |
32 |
|
[BEN]A:1001 |
8 |
1 |
279 |
◊ |
A |
-y+1,-x+1,-z+1/4 |
8_665 |
11 |
4 |
6963 |
62.7 |
1.6 |
0.152 |
1 |
0 |
0 |
0.000 |
| 28 |
33 |
|
[BEN]B:1002 |
8 |
1 |
277 |
◊ |
C |
-x+1,y,-z |
5_655 |
11 |
4 |
6983 |
60.6 |
1.4 |
0.117 |
1 |
0 |
0 |
0.000 |
| 29 |
34 |
|
C |
6 |
2 |
6983 |
◊ |
A |
-y+1,-x+1,-z+1/4 |
8_665 |
6 |
3 |
6963 |
58.1 |
0.4 |
0.729 |
2 |
0 |
0 |
0.000 |
35 |
|
C |
6 |
2 |
6983 |
◊ |
A |
-x+1,y,-z |
5_655 |
6 |
2 |
6963 |
57.7 |
0.3 |
0.710 |
1 |
0 |
0 |
0.000 |
| Average: |
57.9 |
0.3 |
0.719 |
2 |
0 |
0 |
0.000 |
| 30 |
36 |
|
[BEN]D:1003 |
8 |
1 |
281 |
f |
A |
x,y,z |
1_555 |
7 |
2 |
6963 |
56.1 |
1.6 |
0.063 |
0 |
0 |
0 |
0.000 |
| 31 |
37 |
|
[BEN]D:1003 |
8 |
1 |
281 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
6983 |
53.2 |
1.5 |
0.054 |
0 |
0 |
0 |
0.000 |
| 32 |
38 |
|
[SO4]A:501 |
5 |
1 |
184 |
f |
D |
-y+1,-x+1,-z+1/4 |
8_665 |
9 |
3 |
6723 |
52.0 |
-7.2 |
0.718 |
2 |
0 |
0 |
0.153 |
| 33 |
39 |
|
[GOL]A:610 |
3 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6963 |
50.6 |
0.4 |
0.617 |
1 |
0 |
0 |
0.002 |
| 34 |
40 |
|
[SO4]C:500 |
5 |
1 |
185 |
f |
B |
-x+1,y,-z |
5_655 |
7 |
3 |
6909 |
49.4 |
-6.9 |
0.679 |
2 |
0 |
0 |
0.233 |
| 35 |
41 |
|
[CL]C:705 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
6983 |
46.3 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.174 |
| 36 |
42 |
|
[BEN]A:1001 |
6 |
1 |
279 |
◊ |
[BEN]A:1001 |
-y+1,-x+1,-z+1/4 |
8_665 |
6 |
1 |
279 |
43.3 |
1.6 |
0.015 |
0 |
0 |
0 |
0.000 |
| 37 |
43 |
|
[BEN]B:1002 |
6 |
1 |
277 |
◊ |
[BEN]B:1002 |
-x+1,y,-z |
5_655 |
7 |
1 |
277 |
42.1 |
1.5 |
0.009 |
0 |
0 |
0 |
0.000 |
| 38 |
44 |
|
[GOL]A:606 |
3 |
1 |
218 |
f |
[BEN]D:1003 |
x,y,z |
1_555 |
3 |
1 |
281 |
41.9 |
1.3 |
0.361 |
0 |
0 |
0 |
0.000 |
| 39 |
45 |
|
[CL]C:704 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
2 |
6983 |
41.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.228 |
46 |
|
[CL]A:702 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
6963 |
41.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.228 |
| Average: |
41.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.228 |
| 40 |
47 |
|
[GOL]A:606 |
4 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
6909 |
40.1 |
1.1 |
0.730 |
0 |
0 |
0 |
0.000 |
| 41 |
48 |
|
[GOL]B:608 |
3 |
1 |
218 |
◊ |
[SO4]C:500 |
-x+1,y,-z |
5_655 |
4 |
1 |
185 |
38.6 |
-4.1 |
0.790 |
1 |
0 |
0 |
0.137 |
| 42 |
49 |
|
[SO4]C:500 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
6983 |
37.6 |
-4.0 |
0.896 |
1 |
0 |
0 |
0.106 |
| 43 |
50 |
|
C |
4 |
1 |
6983 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
6963 |
37.1 |
-0.4 |
0.490 |
0 |
0 |
0 |
0.004 |
| 44 |
51 |
|
[GOL]A:606 |
2 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
6963 |
33.8 |
-0.6 |
0.411 |
0 |
0 |
0 |
0.033 |
| 45 |
52 |
|
[SO4]A:501 |
4 |
1 |
184 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6963 |
32.8 |
-3.6 |
0.899 |
1 |
0 |
0 |
0.000 |
| 46 |
53 |
|
[GOL]B:604 |
3 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
6963 |
22.7 |
0.4 |
0.708 |
1 |
0 |
0 |
0.001 |
| 47 |
54 |
|
[NAG]B:1001 |
2 |
1 |
357 |
◊ |
[GOL]C:603 |
-x+1,y,-z |
5_655 |
3 |
1 |
219 |
19.8 |
0.4 |
0.335 |
1 |
0 |
0 |
0.002 |
| 48 |
55 |
|
B |
4 |
2 |
6909 |
◊ |
B |
-x+1,y,-z |
5_655 |
4 |
2 |
6909 |
19.5 |
0.1 |
0.700 |
0 |
0 |
0 |
0.000 |
56 |
|
D |
4 |
2 |
6723 |
◊ |
D |
-y+1,-x+1,-z+1/4 |
8_665 |
4 |
2 |
6723 |
19.2 |
0.3 |
0.746 |
0 |
0 |
0 |
0.000 |
| Average: |
19.4 |
0.2 |
0.723 |
0 |
0 |
0 |
0.000 |
| 49 |
57 |
|
[BEN]A:1001 |
2 |
1 |
279 |
◊ |
D |
-y+1,-x+1,-z+1/4 |
8_665 |
3 |
2 |
6723 |
13.0 |
0.2 |
0.272 |
0 |
0 |
0 |
0.000 |
| 50 |
58 |
|
C |
1 |
1 |
6983 |
◊ |
B |
-y+1,-x+1,-z+1/4 |
8_665 |
3 |
1 |
6909 |
11.9 |
0.2 |
0.719 |
0 |
0 |
0 |
0.000 |
| 51 |
59 |
|
[BEN]B:1002 |
3 |
1 |
277 |
f |
B |
-x+1,y,-z |
5_655 |
2 |
2 |
6909 |
11.7 |
0.2 |
0.135 |
0 |
0 |
0 |
0.000 |
| 52 |
60 |
|
C |
1 |
1 |
6983 |
◊ |
C |
-x+1,y,-z |
5_655 |
1 |
1 |
6983 |
9.3 |
-0.3 |
0.297 |
0 |
0 |
0 |
0.004 |
61 |
|
A |
1 |
1 |
6963 |
◊ |
A |
-y+1,-x+1,-z+1/4 |
8_665 |
1 |
1 |
6963 |
9.0 |
-0.3 |
0.303 |
0 |
0 |
0 |
0.004 |
| Average: |
9.2 |
-0.3 |
0.300 |
0 |
0 |
0 |
0.004 |
| 53 |
62 |
|
A |
1 |
1 |
6963 |
◊ |
A |
-x,y,-z |
5_555 |
1 |
1 |
6963 |
9.1 |
0.7 |
0.926 |
0 |
0 |
0 |
0.000 |
| 54 |
63 |
|
[GOL]A:606 |
2 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6983 |
9.0 |
0.0 |
0.689 |
0 |
0 |
0 |
0.000 |
| 55 |
64 |
|
[GOL]C:603 |
1 |
1 |
219 |
◊ |
B |
-x+1,y,-z |
5_655 |
1 |
1 |
6909 |
8.3 |
-0.3 |
0.394 |
0 |
0 |
0 |
0.006 |
| 56 |
65 |
|
[GOL]A:602 |
1 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6909 |
1.3 |
0.0 |
0.588 |
0 |
0 |
0 |
0.000 |
| 57 |
66 |
|
[GOL]A:606 |
1 |
1 |
218 |
f |
[TRS]C:901 |
x,y,z |
1_555 |
1 |
1 |
254 |
1.2 |
0.0 |
0.707 |
0 |
0 |
0 |
0.000 |
| 58 |
67 |
|
[GOL]B:604 |
1 |
1 |
218 |
◊ |
B |
-x,y,-z |
5_555 |
1 |
1 |
6909 |
0.5 |
-0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
|