| ## |
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 |
291 |
68 |
15741 |
◊ |
C |
x,y,z |
1_555 |
293 |
69 |
15625 |
2835.6 |
-45.0 |
0.010 |
24 |
8 |
0 |
0.428 |
2 |
|
B |
297 |
70 |
15608 |
◊ |
A |
x,y,z |
1_555 |
298 |
70 |
15685 |
2833.6 |
-46.6 |
0.008 |
21 |
6 |
0 |
0.428 |
| Average: |
2834.6 |
-45.8 |
0.009 |
23 |
7 |
0 |
0.428 |
| 2 |
3 |
|
D |
160 |
43 |
15741 |
◊ |
A |
x,y,z |
1_555 |
162 |
41 |
15685 |
1510.5 |
-8.1 |
0.627 |
25 |
3 |
0 |
0.193 |
4 |
|
C |
146 |
37 |
15625 |
◊ |
B |
x,y,z |
1_555 |
147 |
39 |
15608 |
1471.3 |
-8.5 |
0.572 |
24 |
3 |
0 |
0.193 |
| Average: |
1490.9 |
-8.3 |
0.599 |
25 |
3 |
0 |
0.193 |
| 3 |
5 |
|
D |
97 |
29 |
15741 |
◊ |
B |
x,y,z |
1_555 |
99 |
29 |
15608 |
913.7 |
-13.1 |
0.144 |
8 |
0 |
0 |
0.138 |
6 |
|
C |
96 |
29 |
15625 |
◊ |
A |
x,y,z |
1_555 |
94 |
29 |
15685 |
902.9 |
-13.4 |
0.095 |
8 |
0 |
0 |
0.138 |
| Average: |
908.3 |
-13.3 |
0.119 |
8 |
0 |
0 |
0.138 |
| 4 |
7 |
|
[0SN]C:1334 |
35 |
1 |
782 |
f |
C |
x,y,z |
1_555 |
78 |
32 |
15625 |
560.0 |
-5.3 |
0.540 |
11 |
0 |
0 |
0.201 |
8 |
|
[0SN]A:1332 |
35 |
1 |
782 |
f |
A |
x,y,z |
1_555 |
75 |
31 |
15685 |
557.6 |
-5.2 |
0.525 |
12 |
0 |
0 |
0.201 |
9 |
|
[0SN]D:1332 |
35 |
1 |
778 |
f |
D |
x,y,z |
1_555 |
76 |
31 |
15741 |
551.9 |
-5.1 |
0.560 |
11 |
0 |
0 |
0.201 |
10 |
|
[0SN]B:1333 |
35 |
1 |
782 |
f |
B |
x,y,z |
1_555 |
80 |
31 |
15608 |
551.8 |
-5.2 |
0.556 |
11 |
0 |
0 |
0.201 |
| Average: |
555.3 |
-5.2 |
0.545 |
11 |
0 |
0 |
0.201 |
| 5 |
11 |
|
C |
43 |
10 |
15625 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
45 |
15 |
15685 |
454.1 |
-0.9 |
0.681 |
9 |
1 |
0 |
0.000 |
12 |
|
D |
53 |
17 |
15741 |
◊ |
B |
-x,y-1/2,-z+1 |
2_546 |
46 |
12 |
15608 |
439.1 |
-2.8 |
0.541 |
3 |
0 |
0 |
0.000 |
| Average: |
446.6 |
-1.8 |
0.611 |
6 |
1 |
0 |
0.000 |
| 6 |
13 |
|
B |
30 |
12 |
15608 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
11 |
15685 |
254.2 |
-1.6 |
0.570 |
1 |
0 |
0 |
0.002 |
| 7 |
14 |
|
C |
15 |
5 |
15625 |
◊ |
D |
x,y,z-1 |
1_554 |
20 |
8 |
15741 |
170.5 |
-2.8 |
0.281 |
0 |
0 |
0 |
0.020 |
15 |
|
A |
15 |
7 |
15685 |
◊ |
B |
x,y,z-1 |
1_554 |
15 |
6 |
15608 |
139.0 |
-2.6 |
0.264 |
0 |
0 |
0 |
0.020 |
| Average: |
154.8 |
-2.7 |
0.273 |
0 |
0 |
0 |
0.020 |
| 8 |
16 |
|
[GOL]B:1332 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
15608 |
106.7 |
-0.5 |
0.517 |
1 |
0 |
0 |
0.008 |
| 9 |
17 |
|
C |
11 |
4 |
15625 |
◊ |
B |
x,y,z-1 |
1_554 |
12 |
3 |
15608 |
96.8 |
-2.0 |
0.300 |
0 |
0 |
0 |
0.007 |
| 10 |
18 |
|
[SO4]A:1333 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
15685 |
93.2 |
-12.0 |
0.854 |
3 |
0 |
0 |
0.131 |
| 11 |
19 |
|
[SO4]C:1335 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
15625 |
89.1 |
-11.6 |
0.865 |
3 |
0 |
0 |
0.109 |
| 12 |
20 |
|
[SO4]B:1334 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
15608 |
88.6 |
-11.4 |
0.871 |
2 |
0 |
0 |
0.103 |
| 13 |
21 |
|
[GOL]C:1332 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
15625 |
88.3 |
0.2 |
0.678 |
4 |
0 |
0 |
0.013 |
| 14 |
22 |
|
[SO4]D:1333 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
15741 |
88.2 |
-11.7 |
0.876 |
3 |
0 |
0 |
0.127 |
| 15 |
23 |
|
[SO4]B:1335 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
11 |
4 |
15608 |
85.8 |
-13.1 |
0.739 |
3 |
0 |
0 |
0.121 |
| 16 |
24 |
|
[GOL]C:1333 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
13 |
4 |
15625 |
85.4 |
0.7 |
0.729 |
3 |
0 |
0 |
0.005 |
| 17 |
25 |
|
[SO4]C:1336 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
15625 |
83.4 |
-12.7 |
0.715 |
3 |
0 |
0 |
0.118 |
| 18 |
26 |
|
[SO4]A:1334 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
15685 |
82.7 |
-12.3 |
0.724 |
2 |
0 |
0 |
0.129 |
| 19 |
27 |
|
[GOL]C:1332 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
10 |
5 |
15685 |
80.2 |
-0.8 |
0.496 |
1 |
0 |
0 |
0.010 |
| 20 |
28 |
|
[SO4]D:1334 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
15741 |
79.3 |
-12.1 |
0.660 |
2 |
0 |
0 |
0.127 |
| 21 |
29 |
|
[SO4]B:1336 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
15608 |
78.1 |
-11.1 |
0.767 |
3 |
0 |
0 |
0.104 |
| 22 |
30 |
|
[SO4]A:1336 |
4 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
15685 |
63.3 |
-8.5 |
0.837 |
2 |
0 |
0 |
0.092 |
| 23 |
31 |
|
A |
10 |
4 |
15685 |
◊ |
[SO4]B:1336 |
x,y,z-1 |
1_554 |
5 |
1 |
186 |
59.9 |
-8.3 |
0.716 |
1 |
0 |
0 |
0.032 |
| 24 |
32 |
|
B |
8 |
4 |
15608 |
f |
[SO4]A:1335 |
x-1,y,z |
1_455 |
4 |
1 |
187 |
59.1 |
-7.7 |
0.841 |
2 |
0 |
0 |
0.072 |
| 25 |
33 |
|
[SO4]C:1335 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
15685 |
54.3 |
-8.1 |
0.516 |
1 |
0 |
0 |
0.069 |
| 26 |
34 |
|
[SO4]A:1333 |
4 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
15625 |
53.7 |
-7.8 |
0.554 |
1 |
0 |
0 |
0.067 |
| 27 |
35 |
|
[SO4]B:1334 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
15741 |
52.7 |
-7.8 |
0.580 |
1 |
0 |
0 |
0.063 |
| 28 |
36 |
|
[SO4]D:1333 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
15608 |
50.2 |
-7.4 |
0.605 |
1 |
0 |
0 |
0.060 |
| 29 |
37 |
|
B |
7 |
2 |
15608 |
◊ |
[SO4]A:1336 |
x-1,y,z |
1_455 |
4 |
1 |
187 |
46.7 |
-5.6 |
0.872 |
1 |
0 |
0 |
0.005 |
| 30 |
38 |
|
[SO4]A:1335 |
4 |
1 |
187 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
15685 |
44.7 |
-5.1 |
0.891 |
1 |
0 |
0 |
0.005 |
| 31 |
39 |
|
[GOL]B:1332 |
3 |
1 |
220 |
f |
[0SN]B:1333 |
x,y,z |
1_555 |
5 |
1 |
782 |
33.1 |
-1.0 |
0.435 |
0 |
0 |
0 |
0.008 |
| 32 |
40 |
|
[GOL]C:1333 |
2 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15608 |
22.5 |
-0.4 |
0.352 |
0 |
0 |
0 |
0.004 |
| 33 |
41 |
|
C |
2 |
2 |
15625 |
◊ |
D |
x-1,y,z |
1_455 |
2 |
2 |
15741 |
17.2 |
0.5 |
0.815 |
0 |
0 |
0 |
0.000 |
| 34 |
42 |
|
[SO4]D:1333 |
1 |
1 |
185 |
◊ |
[SO4]B:1334 |
x,y,z |
1_555 |
1 |
1 |
185 |
13.0 |
-3.1 |
0.800 |
0 |
0 |
0 |
0.024 |
| 35 |
43 |
|
[SO4]C:1335 |
1 |
1 |
185 |
◊ |
[SO4]A:1333 |
x,y,z |
1_555 |
1 |
1 |
185 |
10.9 |
-2.6 |
0.800 |
0 |
0 |
0 |
0.021 |
| 36 |
44 |
|
[SO4]D:1333 |
1 |
1 |
185 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
15625 |
2.8 |
-0.4 |
0.744 |
0 |
0 |
0 |
0.003 |
| 37 |
45 |
|
[SO4]B:1334 |
1 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
15685 |
2.3 |
-0.3 |
0.745 |
0 |
0 |
0 |
0.002 |
| 38 |
46 |
|
[SO4]C:1335 |
1 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
15741 |
1.7 |
-0.2 |
0.769 |
0 |
0 |
0 |
0.002 |
| 39 |
47 |
|
[SO4]A:1333 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15608 |
1.0 |
-0.1 |
0.726 |
0 |
0 |
0 |
0.000 |
| 40 |
48 |
|
[0SN]A:1332 |
1 |
1 |
782 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
15608 |
0.9 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
|