| ## |
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 |
|
E |
155 |
49 |
14206 |
◊ |
A |
x,y,z |
1_555 |
152 |
48 |
14320 |
1505.6 |
-2.3 |
0.585 |
24 |
9 |
0 |
0.202 |
2 |
|
F |
153 |
47 |
14331 |
◊ |
C |
x,y,z |
1_555 |
145 |
46 |
14308 |
1461.2 |
-2.7 |
0.534 |
23 |
8 |
0 |
0.202 |
3 |
|
D |
145 |
48 |
14183 |
◊ |
B |
x,y,z |
1_555 |
154 |
47 |
14526 |
1455.5 |
-1.8 |
0.580 |
26 |
9 |
0 |
0.202 |
| Average: |
1474.1 |
-2.3 |
0.566 |
24 |
9 |
0 |
0.202 |
| 2 |
4 |
|
F |
91 |
27 |
14331 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
96 |
28 |
14320 |
898.8 |
-0.9 |
0.583 |
7 |
5 |
0 |
0.000 |
5 |
|
D |
92 |
27 |
14183 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
94 |
27 |
14206 |
886.2 |
-3.3 |
0.450 |
5 |
3 |
0 |
0.000 |
| Average: |
892.5 |
-2.1 |
0.517 |
6 |
4 |
0 |
0.000 |
| 3 |
6 |
|
C |
69 |
24 |
14308 |
◊ |
B |
x-1,y,z |
1_455 |
74 |
22 |
14526 |
685.5 |
0.6 |
0.624 |
6 |
8 |
0 |
0.000 |
| 4 |
7 |
|
F |
73 |
24 |
14331 |
◊ |
B |
x,y,z |
1_555 |
63 |
21 |
14526 |
615.3 |
-1.5 |
0.394 |
10 |
3 |
0 |
0.000 |
8 |
|
B |
66 |
21 |
14526 |
◊ |
A |
x,y,z |
1_555 |
62 |
21 |
14320 |
544.2 |
-1.1 |
0.410 |
7 |
2 |
0 |
0.000 |
| Average: |
579.7 |
-1.3 |
0.402 |
9 |
3 |
0 |
0.000 |
| 5 |
9 |
|
[NAP]B:1340 |
45 |
1 |
891 |
f |
B |
x,y,z |
1_555 |
72 |
28 |
14526 |
581.5 |
-3.0 |
0.467 |
19 |
0 |
0 |
0.301 |
10 |
|
[NAP]F:1340 |
44 |
1 |
886 |
f |
F |
x,y,z |
1_555 |
69 |
28 |
14331 |
579.3 |
-2.8 |
0.479 |
19 |
0 |
0 |
0.301 |
11 |
|
[NAP]A:1340 |
45 |
1 |
886 |
f |
A |
x,y,z |
1_555 |
71 |
28 |
14320 |
575.8 |
-2.9 |
0.480 |
19 |
0 |
0 |
0.301 |
12 |
|
[NAP]D:1340 |
46 |
1 |
883 |
f |
D |
x,y,z |
1_555 |
70 |
29 |
14183 |
575.7 |
-2.6 |
0.494 |
18 |
0 |
0 |
0.301 |
13 |
|
[NAP]E:1340 |
45 |
1 |
886 |
f |
E |
x,y,z |
1_555 |
68 |
28 |
14206 |
572.7 |
-2.8 |
0.492 |
18 |
0 |
0 |
0.301 |
14 |
|
[NAP]C:1340 |
44 |
1 |
891 |
f |
C |
x,y,z |
1_555 |
71 |
29 |
14308 |
572.5 |
-3.0 |
0.465 |
19 |
0 |
0 |
0.301 |
| Average: |
576.3 |
-2.8 |
0.480 |
19 |
0 |
0 |
0.301 |
| 6 |
15 |
|
D |
27 |
8 |
14183 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
14320 |
184.0 |
-1.8 |
0.310 |
2 |
0 |
0 |
0.000 |
16 |
|
C |
23 |
8 |
14308 |
◊ |
B |
x,y,z |
1_555 |
16 |
7 |
14526 |
170.5 |
-1.6 |
0.303 |
2 |
0 |
0 |
0.000 |
| Average: |
177.2 |
-1.7 |
0.306 |
2 |
0 |
0 |
0.000 |
| 7 |
17 |
|
[GOL]F:1341 |
6 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
16 |
9 |
14331 |
129.7 |
-0.7 |
0.429 |
7 |
0 |
0 |
0.049 |
18 |
|
[GOL]B:1341 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
15 |
8 |
14526 |
126.9 |
-0.4 |
0.473 |
7 |
0 |
0 |
0.049 |
| Average: |
128.3 |
-0.6 |
0.451 |
7 |
0 |
0 |
0.049 |
| 8 |
19 |
|
F |
13 |
5 |
14331 |
◊ |
A |
x,y,z |
1_555 |
17 |
6 |
14320 |
128.0 |
0.4 |
0.650 |
1 |
1 |
0 |
0.000 |
| 9 |
20 |
|
[GOL]E:1343 |
6 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
19 |
11 |
14206 |
126.1 |
-0.9 |
0.413 |
3 |
0 |
0 |
0.025 |
| 10 |
21 |
|
[GOL]F:1342 |
6 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
20 |
8 |
14331 |
122.3 |
1.0 |
0.682 |
7 |
0 |
0 |
0.031 |
22 |
|
[GOL]E:1341 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
20 |
8 |
14206 |
122.0 |
0.8 |
0.692 |
8 |
0 |
0 |
0.031 |
23 |
|
[GOL]D:1341 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
14183 |
121.6 |
1.0 |
0.683 |
7 |
0 |
0 |
0.031 |
| Average: |
122.0 |
0.9 |
0.685 |
7 |
0 |
0 |
0.031 |
| 11 |
24 |
|
[GOL]A:1341 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
20 |
8 |
14320 |
121.0 |
1.0 |
0.681 |
7 |
0 |
0 |
0.024 |
25 |
|
[GOL]C:1341 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
20 |
8 |
14308 |
120.1 |
0.9 |
0.675 |
7 |
0 |
0 |
0.024 |
26 |
|
[GOL]B:1342 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
20 |
8 |
14526 |
120.1 |
0.9 |
0.677 |
6 |
0 |
0 |
0.024 |
| Average: |
120.4 |
1.0 |
0.678 |
7 |
0 |
0 |
0.024 |
| 12 |
27 |
|
E |
13 |
5 |
14206 |
◊ |
D |
x,y,z |
1_555 |
15 |
10 |
14183 |
109.5 |
0.3 |
0.567 |
1 |
1 |
0 |
0.000 |
28 |
|
D |
7 |
3 |
14183 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
14308 |
45.9 |
1.1 |
0.746 |
1 |
1 |
0 |
0.000 |
| Average: |
77.7 |
0.7 |
0.657 |
1 |
1 |
0 |
0.000 |
| 13 |
29 |
|
[GOL]A:1342 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
14320 |
105.2 |
-0.0 |
0.580 |
2 |
0 |
0 |
0.010 |
| 14 |
30 |
|
[GOL]E:1344 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
14206 |
99.7 |
0.5 |
0.646 |
3 |
0 |
0 |
0.010 |
31 |
|
[GOL]D:1342 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
14183 |
99.7 |
0.6 |
0.650 |
3 |
0 |
0 |
0.010 |
| Average: |
99.7 |
0.5 |
0.648 |
3 |
0 |
0 |
0.010 |
| 15 |
32 |
|
[GOL]F:1343 |
6 |
1 |
215 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
14331 |
96.3 |
0.3 |
0.645 |
3 |
0 |
0 |
0.012 |
| 16 |
33 |
|
[GOL]D:1343 |
4 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
14526 |
91.9 |
-0.3 |
0.457 |
4 |
0 |
0 |
0.028 |
| 17 |
34 |
|
[GOL]F:1344 |
5 |
1 |
221 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
14331 |
85.5 |
-0.0 |
0.570 |
3 |
0 |
0 |
0.015 |
| 18 |
35 |
|
[GOL]E:1342 |
5 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
14206 |
85.2 |
0.0 |
0.593 |
3 |
0 |
0 |
0.015 |
| 19 |
36 |
|
[SO4]C:1343 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
15 |
6 |
14308 |
77.4 |
-10.9 |
0.692 |
3 |
0 |
0 |
0.138 |
| 20 |
37 |
|
[GOL]E:1342 |
4 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
14320 |
75.9 |
-0.7 |
0.374 |
0 |
0 |
0 |
0.008 |
| 21 |
38 |
|
[SO4]D:1344 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
14183 |
75.1 |
-10.6 |
0.700 |
2 |
0 |
0 |
0.158 |
| 22 |
39 |
|
[GOL]F:1344 |
5 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
14308 |
73.6 |
-0.7 |
0.356 |
0 |
0 |
0 |
0.008 |
| 23 |
40 |
|
[SO4]E:1345 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
12 |
6 |
14206 |
73.2 |
-10.4 |
0.755 |
3 |
0 |
0 |
0.134 |
| 24 |
41 |
|
[SO4]D:1345 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
14183 |
72.6 |
-10.6 |
0.746 |
3 |
0 |
0 |
0.164 |
| 25 |
42 |
|
[SO4]C:1342 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
14308 |
72.1 |
-10.2 |
0.753 |
4 |
0 |
0 |
0.134 |
| 26 |
43 |
|
[SO4]A:1343 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
14320 |
69.9 |
-10.1 |
0.746 |
3 |
0 |
0 |
0.130 |
| 27 |
44 |
|
[GOL]F:1343 |
5 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
14308 |
69.4 |
-0.6 |
0.487 |
0 |
0 |
0 |
0.007 |
| 28 |
45 |
|
[GOL]E:1344 |
6 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
14320 |
68.9 |
-0.7 |
0.454 |
0 |
0 |
0 |
0.008 |
| 29 |
46 |
|
[GOL]D:1343 |
5 |
1 |
222 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
14183 |
66.3 |
0.4 |
0.652 |
2 |
0 |
0 |
0.006 |
| 30 |
47 |
|
[SO4]E:1346 |
5 |
1 |
186 |
f |
E |
x,y,z |
1_555 |
10 |
5 |
14206 |
66.0 |
-9.6 |
0.609 |
2 |
0 |
0 |
0.119 |
| 31 |
48 |
|
[GOL]A:1342 |
5 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
14331 |
65.7 |
0.0 |
0.561 |
2 |
0 |
0 |
0.000 |
| 32 |
49 |
|
[GOL]D:1342 |
3 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
14526 |
65.4 |
-0.7 |
0.461 |
0 |
0 |
0 |
0.010 |
| 33 |
50 |
|
[NAP]C:1340 |
5 |
1 |
891 |
◊ |
B |
x-1,y,z |
1_455 |
7 |
3 |
14526 |
65.1 |
0.9 |
0.637 |
1 |
0 |
0 |
0.000 |
| 34 |
51 |
|
[SO4]C:1344 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
14308 |
64.0 |
-9.2 |
0.607 |
2 |
0 |
0 |
0.113 |
| 35 |
52 |
|
[GOL]C:1341 |
5 |
1 |
219 |
f |
[NAP]C:1340 |
x,y,z |
1_555 |
10 |
1 |
891 |
59.1 |
-0.8 |
0.494 |
0 |
0 |
0 |
0.011 |
53 |
|
[GOL]A:1341 |
5 |
1 |
219 |
f |
[NAP]A:1340 |
x,y,z |
1_555 |
10 |
1 |
886 |
58.8 |
-0.8 |
0.488 |
0 |
0 |
0 |
0.011 |
54 |
|
[GOL]B:1342 |
5 |
1 |
219 |
f |
[NAP]B:1340 |
x,y,z |
1_555 |
10 |
1 |
891 |
58.6 |
-0.8 |
0.486 |
0 |
0 |
0 |
0.011 |
| Average: |
58.8 |
-0.8 |
0.489 |
0 |
0 |
0 |
0.011 |
| 36 |
55 |
|
[GOL]F:1342 |
5 |
1 |
219 |
f |
[NAP]F:1340 |
x,y,z |
1_555 |
10 |
1 |
886 |
59.1 |
-0.7 |
0.492 |
0 |
0 |
0 |
0.010 |
56 |
|
[GOL]D:1341 |
4 |
1 |
219 |
f |
[NAP]D:1340 |
x,y,z |
1_555 |
10 |
1 |
883 |
58.7 |
-0.8 |
0.484 |
0 |
0 |
0 |
0.010 |
57 |
|
[GOL]E:1341 |
4 |
1 |
218 |
f |
[NAP]E:1340 |
x,y,z |
1_555 |
10 |
1 |
886 |
57.0 |
-0.9 |
0.489 |
0 |
0 |
0 |
0.010 |
| Average: |
58.3 |
-0.8 |
0.488 |
0 |
0 |
0 |
0.010 |
| 37 |
58 |
|
E |
5 |
3 |
14206 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
14308 |
50.5 |
-1.2 |
0.204 |
0 |
0 |
0 |
0.000 |
| 38 |
59 |
|
[SO4]E:1346 |
4 |
1 |
186 |
f |
[NAP]E:1340 |
x,y,z |
1_555 |
3 |
1 |
886 |
40.0 |
-4.7 |
0.746 |
0 |
0 |
0 |
0.054 |
| 39 |
60 |
|
[SO4]C:1344 |
4 |
1 |
186 |
f |
[NAP]C:1340 |
x,y,z |
1_555 |
4 |
1 |
891 |
38.5 |
-4.6 |
0.712 |
0 |
0 |
0 |
0.052 |
| 40 |
61 |
|
C |
3 |
2 |
14308 |
◊ |
[NAP]B:1340 |
x-1,y,z |
1_455 |
1 |
1 |
891 |
30.8 |
1.0 |
0.900 |
1 |
0 |
0 |
0.000 |
| 41 |
62 |
|
[GOL]B:1341 |
2 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
14308 |
30.3 |
-0.8 |
0.203 |
0 |
0 |
0 |
0.000 |
| 42 |
63 |
|
[SO4]C:1344 |
1 |
1 |
186 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
14526 |
16.2 |
-1.4 |
0.879 |
0 |
0 |
0 |
0.000 |
| 43 |
64 |
|
E |
1 |
1 |
14206 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
14320 |
11.2 |
0.6 |
0.902 |
0 |
0 |
0 |
0.000 |
|