| ## |
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 |
46 |
17 |
16177 |
◊ |
A |
x-1,y+1,z |
1_465 |
48 |
18 |
16162 |
436.6 |
-2.9 |
0.425 |
4 |
0 |
0 |
0.000 |
2 |
|
A |
46 |
17 |
16162 |
◊ |
B |
x,y-1,z |
1_545 |
47 |
17 |
16177 |
431.9 |
-2.8 |
0.432 |
4 |
0 |
0 |
0.000 |
| Average: |
434.2 |
-2.9 |
0.428 |
4 |
0 |
0 |
0.000 |
| 2 |
3 |
|
A |
31 |
10 |
16162 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
30 |
7 |
16177 |
290.6 |
-0.7 |
0.523 |
3 |
0 |
0 |
0.000 |
4 |
|
A |
28 |
7 |
16162 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
31 |
10 |
16177 |
281.8 |
-1.5 |
0.333 |
3 |
0 |
0 |
0.000 |
| Average: |
286.2 |
-1.1 |
0.428 |
3 |
0 |
0 |
0.000 |
| 3 |
5 |
|
B |
29 |
14 |
16177 |
◊ |
A |
x-1,y,z |
1_455 |
28 |
14 |
16162 |
217.3 |
-2.6 |
0.287 |
0 |
0 |
0 |
0.000 |
6 |
|
B |
26 |
14 |
16177 |
◊ |
A |
x,y,z |
1_555 |
30 |
14 |
16162 |
213.3 |
-2.7 |
0.274 |
0 |
0 |
0 |
0.000 |
| Average: |
215.3 |
-2.6 |
0.281 |
0 |
0 |
0 |
0.000 |
| 4 |
7 |
|
[GS1]A:607 |
12 |
1 |
325 |
f |
A |
x,y,z |
1_555 |
33 |
13 |
16162 |
200.1 |
1.2 |
0.578 |
4 |
0 |
0 |
0.008 |
8 |
|
[GS1]B:509 |
12 |
1 |
327 |
f |
B |
x,y,z |
1_555 |
33 |
13 |
16177 |
197.6 |
1.1 |
0.571 |
2 |
0 |
0 |
0.008 |
| Average: |
198.8 |
1.2 |
0.575 |
3 |
0 |
0 |
0.008 |
| 5 |
9 |
|
[GLC]B:510 |
11 |
1 |
296 |
f |
B |
x,y,z |
1_555 |
34 |
10 |
16177 |
196.8 |
4.0 |
0.404 |
3 |
0 |
0 |
0.000 |
10 |
|
[GLC]A:608 |
11 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
32 |
10 |
16162 |
194.4 |
4.0 |
0.394 |
3 |
0 |
0 |
0.000 |
| Average: |
195.6 |
4.0 |
0.399 |
3 |
0 |
0 |
0.000 |
| 6 |
11 |
|
[GS1]A:606 |
11 |
1 |
317 |
f |
A |
x,y,z |
1_555 |
39 |
16 |
16162 |
189.2 |
1.7 |
0.571 |
2 |
0 |
0 |
0.000 |
12 |
|
[GS1]B:508 |
11 |
1 |
316 |
f |
B |
x,y,z |
1_555 |
36 |
15 |
16177 |
187.0 |
1.6 |
0.549 |
1 |
0 |
0 |
0.000 |
| Average: |
188.1 |
1.7 |
0.560 |
2 |
0 |
0 |
0.000 |
| 7 |
13 |
|
[GS1]A:610 |
12 |
1 |
323 |
f |
A |
x,y,z |
1_555 |
38 |
14 |
16162 |
188.7 |
0.8 |
0.583 |
4 |
0 |
0 |
0.028 |
14 |
|
[GS1]B:512 |
12 |
1 |
324 |
f |
B |
x,y,z |
1_555 |
39 |
14 |
16177 |
187.6 |
-0.1 |
0.482 |
4 |
0 |
0 |
0.028 |
| Average: |
188.2 |
0.4 |
0.532 |
4 |
0 |
0 |
0.028 |
| 8 |
15 |
|
A |
19 |
8 |
16162 |
x |
A |
x-1,y,z |
1_455 |
20 |
6 |
16162 |
188.2 |
-0.3 |
0.576 |
2 |
0 |
0 |
0.000 |
16 |
|
B |
19 |
8 |
16177 |
x |
B |
x-1,y,z |
1_455 |
21 |
6 |
16177 |
184.4 |
0.0 |
0.643 |
1 |
0 |
0 |
0.000 |
| Average: |
186.3 |
-0.2 |
0.610 |
2 |
0 |
0 |
0.000 |
| 9 |
17 |
|
[GS1]B:511 |
11 |
1 |
317 |
f |
B |
x,y,z |
1_555 |
36 |
11 |
16177 |
185.7 |
1.8 |
0.576 |
5 |
0 |
0 |
0.007 |
18 |
|
[GS1]A:609 |
11 |
1 |
316 |
f |
A |
x,y,z |
1_555 |
36 |
12 |
16162 |
185.2 |
1.8 |
0.557 |
5 |
0 |
0 |
0.007 |
| Average: |
185.4 |
1.8 |
0.566 |
5 |
0 |
0 |
0.007 |
| 10 |
19 |
|
[GLC]A:611 |
11 |
1 |
298 |
f |
A |
x,y,z |
1_555 |
26 |
13 |
16162 |
167.1 |
4.0 |
0.323 |
4 |
0 |
0 |
0.000 |
20 |
|
[GLC]B:513 |
11 |
1 |
300 |
f |
B |
x,y,z |
1_555 |
26 |
13 |
16177 |
166.9 |
4.0 |
0.266 |
4 |
0 |
0 |
0.000 |
| Average: |
167.0 |
4.0 |
0.295 |
4 |
0 |
0 |
0.000 |
| 11 |
21 |
|
[NAG]B:501 |
11 |
1 |
363 |
cf |
B |
x,y,z |
1_555 |
23 |
10 |
16177 |
147.2 |
3.9 |
0.492 |
0 |
0 |
0 |
0.000 |
22 |
|
[NAG]A:601 |
12 |
1 |
361 |
cf |
A |
x,y,z |
1_555 |
23 |
10 |
16162 |
146.6 |
4.0 |
0.452 |
0 |
0 |
0 |
0.000 |
| Average: |
146.9 |
3.9 |
0.472 |
0 |
0 |
0 |
0.000 |
| 12 |
23 |
|
[GOL]B:505 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
29 |
10 |
16177 |
138.1 |
-1.0 |
0.526 |
2 |
0 |
0 |
0.030 |
24 |
|
[GOL]A:604 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
26 |
10 |
16162 |
137.8 |
-1.0 |
0.519 |
2 |
0 |
0 |
0.030 |
| Average: |
138.0 |
-1.0 |
0.522 |
2 |
0 |
0 |
0.030 |
| 13 |
25 |
|
[BTB]A:605 |
10 |
1 |
349 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
16162 |
132.9 |
3.5 |
0.313 |
2 |
0 |
0 |
0.000 |
| 14 |
26 |
|
[GOL]B:504 |
6 |
1 |
223 |
f |
B |
x,y,z |
1_555 |
22 |
11 |
16177 |
117.5 |
-0.2 |
0.574 |
2 |
0 |
0 |
0.016 |
| 15 |
27 |
|
[BTB]B:507 |
8 |
1 |
336 |
f |
B |
x,y,z |
1_555 |
14 |
5 |
16177 |
113.8 |
4.0 |
0.427 |
2 |
0 |
0 |
0.000 |
| 16 |
28 |
|
[PEG]B:506 |
6 |
1 |
262 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
16177 |
109.4 |
2.2 |
0.329 |
2 |
0 |
0 |
0.000 |
| 17 |
29 |
|
A |
20 |
6 |
16162 |
◊ |
[BTB]B:507 |
-x+1,y-1/2,-z |
2_645 |
8 |
1 |
336 |
98.6 |
2.0 |
0.206 |
1 |
0 |
0 |
0.000 |
| 18 |
30 |
|
[BTB]A:605 |
9 |
1 |
349 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
5 |
16177 |
90.3 |
2.4 |
0.239 |
0 |
0 |
0 |
0.000 |
| 19 |
31 |
|
A |
9 |
3 |
16162 |
◊ |
[NAG]B:501 |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
1 |
363 |
78.6 |
0.6 |
0.267 |
0 |
0 |
0 |
0.000 |
32 |
|
[NAG]A:601 |
6 |
1 |
361 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
11 |
3 |
16177 |
76.8 |
0.4 |
0.257 |
0 |
0 |
0 |
0.000 |
| Average: |
77.7 |
0.5 |
0.262 |
0 |
0 |
0 |
0.000 |
| 20 |
33 |
|
[GS1]B:509 |
6 |
1 |
327 |
cf |
[GS1]B:508 |
x,y,z |
1_555 |
6 |
1 |
316 |
65.0 |
-0.3 |
0.300 |
1 |
0 |
0 |
0.011 |
34 |
|
[GS1]A:607 |
6 |
1 |
325 |
cf |
[GS1]A:606 |
x,y,z |
1_555 |
6 |
1 |
317 |
64.5 |
-0.3 |
0.300 |
1 |
0 |
0 |
0.011 |
| Average: |
64.7 |
-0.3 |
0.300 |
1 |
0 |
0 |
0.011 |
| 21 |
35 |
|
[GLC]B:513 |
5 |
1 |
300 |
cf |
[GS1]B:511 |
x,y,z |
1_555 |
6 |
1 |
317 |
59.9 |
0.5 |
0.158 |
0 |
0 |
0 |
0.000 |
36 |
|
[GLC]A:611 |
5 |
1 |
298 |
cf |
[GS1]A:609 |
x,y,z |
1_555 |
7 |
1 |
316 |
59.4 |
0.4 |
0.183 |
0 |
0 |
0 |
0.000 |
| Average: |
59.7 |
0.5 |
0.170 |
0 |
0 |
0 |
0.000 |
| 22 |
37 |
|
[GLC]A:608 |
5 |
1 |
294 |
cf |
[GS1]A:606 |
x,y,z |
1_555 |
7 |
1 |
317 |
58.3 |
0.2 |
0.160 |
0 |
0 |
0 |
0.000 |
38 |
|
[GLC]B:510 |
5 |
1 |
296 |
cf |
[GS1]B:508 |
x,y,z |
1_555 |
7 |
1 |
316 |
57.9 |
0.1 |
0.169 |
0 |
0 |
0 |
0.000 |
| Average: |
58.1 |
0.1 |
0.164 |
0 |
0 |
0 |
0.000 |
| 23 |
39 |
|
[GS1]A:610 |
7 |
1 |
323 |
cf |
[GS1]A:609 |
x,y,z |
1_555 |
6 |
1 |
316 |
57.3 |
-0.0 |
0.299 |
0 |
0 |
0 |
0.000 |
40 |
|
[GS1]B:512 |
7 |
1 |
324 |
cf |
[GS1]B:511 |
x,y,z |
1_555 |
6 |
1 |
317 |
57.2 |
-0.0 |
0.312 |
0 |
0 |
0 |
0.000 |
| Average: |
57.2 |
-0.0 |
0.305 |
0 |
0 |
0 |
0.000 |
| 24 |
41 |
|
[BTB]A:605 |
6 |
1 |
349 |
f |
[NI]A:603 |
x,y,z |
1_555 |
1 |
1 |
115 |
47.7 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.099 |
| 25 |
42 |
|
[BTB]B:507 |
6 |
1 |
336 |
f |
[NI]B:503 |
x,y,z |
1_555 |
1 |
1 |
115 |
45.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.082 |
| 26 |
43 |
|
[GS1]B:512 |
5 |
1 |
324 |
f |
[GOL]B:505 |
x,y,z |
1_555 |
4 |
1 |
219 |
42.5 |
-0.2 |
0.489 |
1 |
0 |
0 |
0.010 |
44 |
|
[GS1]A:610 |
5 |
1 |
323 |
f |
[GOL]A:604 |
x,y,z |
1_555 |
4 |
1 |
220 |
40.7 |
-0.2 |
0.474 |
1 |
0 |
0 |
0.010 |
| Average: |
41.6 |
-0.2 |
0.482 |
1 |
0 |
0 |
0.010 |
| 27 |
45 |
|
[NI]B:503 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
7 |
4 |
16177 |
42.4 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.074 |
46 |
|
[NI]A:603 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
16162 |
37.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.074 |
| Average: |
40.1 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.074 |
| 28 |
47 |
|
[NI]A:602 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
16162 |
41.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.059 |
48 |
|
[NI]B:502 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
4 |
2 |
16177 |
40.3 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.059 |
| Average: |
40.9 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.059 |
| 29 |
49 |
|
[PEG]B:506 |
3 |
1 |
262 |
f |
A |
x-1,y+1,z |
1_465 |
2 |
1 |
16162 |
35.7 |
0.5 |
0.158 |
0 |
0 |
0 |
0.000 |
| 30 |
50 |
|
B |
2 |
2 |
16177 |
x |
B |
-x,y-1/2,-z |
2_545 |
2 |
2 |
16177 |
7.5 |
0.2 |
0.722 |
0 |
0 |
0 |
0.000 |
51 |
|
A |
2 |
2 |
16162 |
x |
A |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
16162 |
4.5 |
0.1 |
0.684 |
0 |
0 |
0 |
0.000 |
| Average: |
6.0 |
0.1 |
0.703 |
0 |
0 |
0 |
0.000 |
| 31 |
52 |
|
A |
4 |
4 |
16162 |
◊ |
[NI]B:503 |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
115 |
6.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.000 |
53 |
|
[NI]A:603 |
1 |
1 |
115 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
3 |
3 |
16177 |
4.0 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
5.2 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
54 |
|
[NI]B:502 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
16162 |
6.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
55 |
|
B |
1 |
1 |
16177 |
◊ |
[NI]A:602 |
x-1,y,z |
1_455 |
1 |
1 |
115 |
1.2 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
3.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 33 |
56 |
|
[GLC]A:611 |
1 |
1 |
298 |
f |
[GS1]A:610 |
x,y,z |
1_555 |
1 |
1 |
323 |
0.9 |
-0.0 |
0.151 |
0 |
0 |
0 |
0.000 |
57 |
|
[GLC]B:513 |
1 |
1 |
300 |
f |
[GS1]B:512 |
x,y,z |
1_555 |
1 |
1 |
324 |
0.9 |
-0.0 |
0.151 |
0 |
0 |
0 |
0.000 |
| Average: |
0.9 |
-0.0 |
0.151 |
0 |
0 |
0 |
0.000 |
|