| ## |
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 |
365 |
92 |
23360 |
◊ |
A |
x,y,z |
1_555 |
361 |
90 |
23437 |
3527.4 |
-27.7 |
0.083 |
62 |
26 |
0 |
0.551 |
2 |
|
D |
366 |
92 |
23203 |
◊ |
C |
x,y,z |
1_555 |
362 |
91 |
23131 |
3510.3 |
-27.7 |
0.088 |
62 |
30 |
0 |
0.551 |
| Average: |
3518.8 |
-27.7 |
0.085 |
62 |
28 |
0 |
0.551 |
| 2 |
3 |
|
D |
257 |
61 |
23203 |
◊ |
A |
x,y,z |
1_555 |
260 |
61 |
23437 |
2391.6 |
-17.2 |
0.189 |
43 |
25 |
0 |
0.427 |
4 |
|
C |
256 |
62 |
23131 |
◊ |
B |
x,y,z |
1_555 |
260 |
63 |
23360 |
2364.9 |
-20.1 |
0.114 |
45 |
22 |
0 |
0.427 |
| Average: |
2378.3 |
-18.7 |
0.151 |
44 |
24 |
0 |
0.427 |
| 3 |
5 |
|
C |
176 |
45 |
23131 |
◊ |
A |
x,y,z |
1_555 |
174 |
44 |
23437 |
1703.1 |
-6.8 |
0.438 |
25 |
14 |
0 |
0.247 |
6 |
|
D |
181 |
48 |
23203 |
◊ |
B |
x,y,z |
1_555 |
175 |
44 |
23360 |
1650.2 |
-8.3 |
0.382 |
16 |
14 |
0 |
0.247 |
| Average: |
1676.7 |
-7.6 |
0.410 |
21 |
14 |
0 |
0.247 |
| 4 |
7 |
|
C |
76 |
23 |
23131 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
77 |
22 |
23437 |
739.9 |
2.7 |
0.830 |
8 |
14 |
0 |
0.000 |
| 5 |
8 |
|
[2SA]D:1002 |
29 |
1 |
613 |
◊ |
D |
x,y,z |
1_555 |
43 |
15 |
23203 |
300.6 |
-1.1 |
0.613 |
10 |
0 |
0 |
0.052 |
9 |
|
[2SA]B:1002 |
29 |
1 |
615 |
◊ |
B |
x,y,z |
1_555 |
44 |
15 |
23360 |
298.0 |
-0.9 |
0.613 |
10 |
0 |
0 |
0.052 |
| Average: |
299.3 |
-1.0 |
0.613 |
10 |
0 |
0 |
0.052 |
| 6 |
10 |
|
A |
36 |
12 |
23437 |
◊ |
B |
-x+1/2,-y,z-1/2 |
2_554 |
29 |
8 |
23360 |
286.1 |
-0.2 |
0.604 |
2 |
0 |
0 |
0.000 |
| 7 |
11 |
|
C |
25 |
10 |
23131 |
◊ |
A |
x-1,y,z |
1_455 |
26 |
10 |
23437 |
242.9 |
-1.2 |
0.498 |
3 |
2 |
0 |
0.000 |
| 8 |
12 |
|
[AMP]C:1000 |
23 |
1 |
498 |
◊ |
C |
x,y,z |
1_555 |
38 |
14 |
23131 |
239.5 |
-1.1 |
0.578 |
6 |
0 |
0 |
0.037 |
13 |
|
[AMP]A:1000 |
23 |
1 |
498 |
◊ |
A |
x,y,z |
1_555 |
37 |
14 |
23437 |
237.4 |
-1.2 |
0.533 |
5 |
0 |
0 |
0.037 |
| Average: |
238.4 |
-1.1 |
0.556 |
6 |
0 |
0 |
0.037 |
| 9 |
14 |
|
D |
22 |
9 |
23203 |
x |
D |
-x,y-1/2,-z+1/2 |
3_545 |
30 |
11 |
23203 |
213.1 |
3.2 |
0.877 |
2 |
0 |
0 |
0.000 |
| 10 |
15 |
|
C |
22 |
9 |
23131 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
21 |
6 |
23360 |
189.0 |
0.8 |
0.579 |
0 |
0 |
0 |
0.000 |
| 11 |
16 |
|
[2SA]B:1002 |
18 |
1 |
615 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
23131 |
163.8 |
-2.4 |
0.429 |
7 |
0 |
0 |
0.140 |
17 |
|
[2SA]D:1002 |
18 |
1 |
613 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
23437 |
156.6 |
-2.3 |
0.438 |
8 |
0 |
0 |
0.140 |
| Average: |
160.2 |
-2.3 |
0.434 |
8 |
0 |
0 |
0.140 |
| 12 |
18 |
|
[GOL]C:1003 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
23 |
11 |
23131 |
146.0 |
0.7 |
0.657 |
5 |
0 |
0 |
0.019 |
| 13 |
19 |
|
[GOL]A:1003 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
23437 |
145.3 |
0.4 |
0.642 |
6 |
0 |
0 |
0.028 |
| 14 |
20 |
|
[GOL]D:1003 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
24 |
11 |
23203 |
145.1 |
0.3 |
0.632 |
5 |
0 |
0 |
0.018 |
| 15 |
21 |
|
[GOL]B:1003 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
25 |
12 |
23360 |
140.6 |
0.3 |
0.647 |
4 |
0 |
0 |
0.014 |
| 16 |
22 |
|
[GOL]B:1004 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
24 |
9 |
23360 |
137.8 |
-0.2 |
0.565 |
4 |
0 |
0 |
0.019 |
| 17 |
23 |
|
[AMP]C:1000 |
13 |
1 |
498 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
23360 |
128.1 |
-3.0 |
0.340 |
6 |
0 |
0 |
0.055 |
24 |
|
[AMP]A:1000 |
13 |
1 |
498 |
f |
D |
x,y,z |
1_555 |
15 |
6 |
23203 |
119.2 |
-2.7 |
0.336 |
7 |
0 |
0 |
0.055 |
| Average: |
123.7 |
-2.8 |
0.338 |
7 |
0 |
0 |
0.055 |
| 18 |
25 |
|
[FUM]A:1001 |
7 |
1 |
247 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
23437 |
99.8 |
2.1 |
0.771 |
4 |
0 |
0 |
0.000 |
| 19 |
26 |
|
[FUM]C:1001 |
7 |
1 |
248 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
23131 |
88.0 |
2.4 |
0.888 |
5 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[CL]A:2002 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
8 |
23437 |
66.0 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.268 |
28 |
|
[CL]C:2002 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
8 |
23131 |
65.8 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.268 |
29 |
|
[CL]B:2002 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
23360 |
65.7 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.268 |
30 |
|
[CL]D:2002 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
8 |
23203 |
65.3 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.268 |
| Average: |
65.7 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.268 |
| 21 |
31 |
|
[2SA]B:1002 |
8 |
1 |
615 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
23437 |
60.9 |
0.3 |
0.409 |
2 |
0 |
0 |
0.014 |
32 |
|
[2SA]D:1002 |
8 |
1 |
613 |
◊ |
C |
x,y,z |
1_555 |
7 |
2 |
23131 |
60.4 |
0.3 |
0.441 |
2 |
0 |
0 |
0.014 |
| Average: |
60.7 |
0.3 |
0.425 |
2 |
0 |
0 |
0.014 |
| 22 |
33 |
|
[FUM]C:1001 |
8 |
1 |
248 |
◊ |
[AMP]C:1000 |
x,y,z |
1_555 |
9 |
1 |
498 |
50.7 |
2.3 |
0.869 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
[CL]D:2001 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
23437 |
50.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.156 |
35 |
|
[CL]B:2001 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
23131 |
48.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.156 |
36 |
|
[CL]A:2001 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
5 |
2 |
23203 |
46.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.156 |
| Average: |
48.4 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.156 |
| 24 |
37 |
|
[FUM]A:1001 |
8 |
1 |
247 |
◊ |
[AMP]A:1000 |
x,y,z |
1_555 |
9 |
1 |
498 |
50.0 |
2.2 |
0.866 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
C |
8 |
3 |
23131 |
x |
C |
x-1/2,-y-1/2,-z |
4_445 |
9 |
2 |
23131 |
46.2 |
0.7 |
0.716 |
0 |
2 |
0 |
0.000 |
39 |
|
A |
3 |
1 |
23437 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
3 |
1 |
23437 |
19.1 |
0.2 |
0.626 |
0 |
0 |
0 |
0.000 |
| Average: |
32.7 |
0.4 |
0.671 |
0 |
1 |
0 |
0.000 |
| 26 |
40 |
|
[FUM]C:1001 |
4 |
1 |
248 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
23203 |
45.6 |
0.6 |
0.577 |
1 |
0 |
0 |
0.000 |
| 27 |
41 |
|
[FUM]C:1001 |
4 |
1 |
248 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
23360 |
41.2 |
1.5 |
0.947 |
2 |
0 |
0 |
0.000 |
| 28 |
42 |
|
[FUM]A:1001 |
4 |
1 |
247 |
f |
B |
x,y,z |
1_555 |
6 |
2 |
23360 |
40.9 |
0.5 |
0.545 |
1 |
0 |
0 |
0.000 |
| 29 |
43 |
|
D |
3 |
1 |
23203 |
◊ |
B |
-x+1,y-1/2,-z+1/2 |
3_645 |
9 |
4 |
23360 |
40.2 |
1.1 |
0.780 |
1 |
0 |
0 |
0.000 |
| 30 |
44 |
|
B |
6 |
2 |
23360 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
23437 |
39.7 |
0.5 |
0.681 |
0 |
0 |
0 |
0.000 |
| 31 |
45 |
|
[AMP]C:1000 |
5 |
1 |
498 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
23203 |
37.8 |
0.1 |
0.397 |
0 |
0 |
0 |
0.000 |
46 |
|
[AMP]A:1000 |
5 |
1 |
498 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
23360 |
34.2 |
0.1 |
0.405 |
0 |
0 |
0 |
0.000 |
| Average: |
36.0 |
0.1 |
0.401 |
0 |
0 |
0 |
0.000 |
| 32 |
47 |
|
[2SA]B:1002 |
4 |
1 |
615 |
f |
[CL]B:2001 |
x,y,z |
1_555 |
1 |
1 |
125 |
29.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.071 |
48 |
|
[2SA]D:1002 |
4 |
1 |
613 |
f |
[CL]D:2001 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.5 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.071 |
| Average: |
29.1 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.071 |
| 33 |
49 |
|
[CL]A:2001 |
1 |
1 |
125 |
f |
[AMP]A:1000 |
x,y,z |
1_555 |
4 |
1 |
498 |
27.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.028 |
| 34 |
50 |
|
[FUM]A:1001 |
2 |
1 |
247 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
23203 |
25.6 |
1.0 |
0.934 |
1 |
0 |
0 |
0.000 |
| 35 |
51 |
|
[GOL]B:1004 |
2 |
1 |
219 |
f |
[GOL]B:1003 |
x,y,z |
1_555 |
3 |
1 |
218 |
22.0 |
-0.3 |
0.540 |
0 |
0 |
0 |
0.003 |
| 36 |
52 |
|
[CL]D:2001 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
23131 |
20.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.058 |
53 |
|
[CL]B:2001 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
23437 |
19.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.058 |
54 |
|
[CL]A:2001 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
23360 |
18.1 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.058 |
| Average: |
19.3 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.058 |
| 37 |
55 |
|
[CL]A:2001 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
23437 |
16.5 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.025 |
56 |
|
[CL]B:2001 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
23360 |
11.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.025 |
57 |
|
[CL]D:2001 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
23203 |
9.2 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.025 |
| Average: |
12.5 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.025 |
| 38 |
58 |
|
[GOL]A:1003 |
3 |
1 |
218 |
◊ |
[AMP]A:1000 |
x,y,z |
1_555 |
6 |
1 |
498 |
15.5 |
-0.4 |
0.497 |
0 |
0 |
0 |
0.004 |
| 39 |
59 |
|
[2SA]B:1002 |
5 |
1 |
615 |
◊ |
[GOL]B:1003 |
x,y,z |
1_555 |
3 |
1 |
218 |
15.3 |
-0.3 |
0.511 |
0 |
0 |
0 |
0.003 |
| 40 |
60 |
|
[2SA]D:1002 |
5 |
1 |
613 |
◊ |
[GOL]D:1003 |
x,y,z |
1_555 |
3 |
1 |
216 |
15.2 |
-0.3 |
0.489 |
0 |
0 |
0 |
0.003 |
| 41 |
61 |
|
[GOL]C:1003 |
1 |
1 |
221 |
◊ |
[AMP]C:1000 |
x,y,z |
1_555 |
3 |
1 |
498 |
10.8 |
-0.3 |
0.484 |
0 |
0 |
0 |
0.003 |
| 42 |
62 |
|
D |
1 |
1 |
23203 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
23131 |
5.5 |
0.2 |
0.778 |
0 |
0 |
0 |
0.000 |
| 43 |
63 |
|
[GOL]B:1004 |
2 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
23131 |
3.5 |
-0.1 |
0.469 |
0 |
0 |
0 |
0.000 |
| 44 |
64 |
|
D |
1 |
1 |
23203 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
23360 |
2.1 |
0.1 |
0.769 |
0 |
0 |
0 |
0.000 |
|