## |
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 |
502 |
126 |
20667 |
◊ |
C |
x,y,z |
1_555 |
503 |
127 |
20737 |
4889.2 |
-54.5 |
0.016 |
84 |
16 |
0 |
0.642 |
2 |
|
B |
517 |
130 |
20734 |
◊ |
A |
x,y,z |
1_555 |
502 |
128 |
20760 |
4886.2 |
-55.5 |
0.014 |
81 |
12 |
0 |
0.642 |
Average: |
4887.7 |
-55.0 |
0.015 |
83 |
14 |
0 |
0.642 |
2 |
3 |
|
D |
199 |
53 |
20667 |
◊ |
B |
x,y,z |
1_555 |
199 |
54 |
20734 |
2106.2 |
-18.5 |
0.163 |
21 |
9 |
0 |
0.383 |
4 |
|
C |
199 |
53 |
20737 |
◊ |
A |
x,y,z |
1_555 |
198 |
53 |
20760 |
2092.8 |
-18.9 |
0.139 |
18 |
9 |
0 |
0.383 |
Average: |
2099.5 |
-18.7 |
0.151 |
20 |
9 |
0 |
0.383 |
3 |
5 |
|
D |
109 |
37 |
20667 |
◊ |
A |
x,y,z |
1_555 |
107 |
37 |
20760 |
993.2 |
-2.8 |
0.687 |
12 |
4 |
0 |
0.046 |
6 |
|
C |
99 |
36 |
20737 |
◊ |
B |
x,y,z |
1_555 |
97 |
35 |
20734 |
899.5 |
-4.5 |
0.565 |
7 |
0 |
0 |
0.046 |
Average: |
946.3 |
-3.6 |
0.626 |
10 |
2 |
0 |
0.046 |
4 |
7 |
|
A |
33 |
9 |
20760 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
30 |
8 |
20737 |
296.3 |
2.6 |
0.894 |
4 |
5 |
0 |
0.000 |
5 |
8 |
|
B |
24 |
6 |
20734 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
22 |
6 |
20737 |
192.1 |
0.2 |
0.679 |
4 |
0 |
0 |
0.000 |
6 |
9 |
|
D |
17 |
5 |
20667 |
◊ |
A |
x-1,y,z |
1_455 |
18 |
6 |
20760 |
149.8 |
-1.7 |
0.387 |
1 |
0 |
0 |
0.000 |
10 |
|
B |
16 |
6 |
20734 |
◊ |
C |
x-1,y,z |
1_455 |
18 |
5 |
20737 |
139.7 |
-1.9 |
0.359 |
1 |
0 |
0 |
0.000 |
Average: |
144.8 |
-1.8 |
0.373 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
[GOL]C:505 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
24 |
11 |
20737 |
147.7 |
-0.4 |
0.600 |
8 |
0 |
0 |
0.050 |
12 |
|
[GOL]D:505 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
25 |
11 |
20667 |
147.2 |
-0.3 |
0.610 |
7 |
0 |
0 |
0.050 |
Average: |
147.5 |
-0.3 |
0.605 |
8 |
0 |
0 |
0.050 |
8 |
13 |
|
[GOL]A:505 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
25 |
11 |
20760 |
147.4 |
-0.3 |
0.600 |
7 |
0 |
0 |
0.051 |
14 |
|
[GOL]B:506 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
20734 |
146.3 |
-0.3 |
0.610 |
8 |
0 |
0 |
0.051 |
Average: |
146.9 |
-0.3 |
0.605 |
8 |
0 |
0 |
0.051 |
9 |
15 |
|
[GOL]B:508 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
28 |
11 |
20734 |
147.1 |
-0.2 |
0.581 |
2 |
0 |
0 |
0.039 |
16 |
|
[GOL]A:506 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
30 |
10 |
20760 |
147.0 |
-0.2 |
0.582 |
3 |
0 |
0 |
0.039 |
17 |
|
[GOL]D:507 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
28 |
11 |
20667 |
133.5 |
-0.1 |
0.583 |
4 |
0 |
0 |
0.039 |
Average: |
142.6 |
-0.2 |
0.582 |
3 |
0 |
0 |
0.039 |
10 |
18 |
|
[PEG]D:508 |
6 |
1 |
241 |
f |
D |
x,y,z |
1_555 |
20 |
8 |
20667 |
144.9 |
4.9 |
0.574 |
0 |
0 |
0 |
0.000 |
11 |
19 |
|
[GOL]C:506 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
27 |
11 |
20737 |
144.3 |
-0.1 |
0.625 |
4 |
0 |
0 |
0.023 |
12 |
20 |
|
[GOL]B:509 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
24 |
11 |
20734 |
137.4 |
-1.2 |
0.502 |
5 |
0 |
0 |
0.045 |
13 |
21 |
|
[PEG]B:510 |
5 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
25 |
13 |
20734 |
136.1 |
6.6 |
0.722 |
1 |
0 |
0 |
0.000 |
14 |
22 |
|
[GOL]D:506 |
6 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
20667 |
122.2 |
-0.3 |
0.612 |
6 |
0 |
0 |
0.039 |
15 |
23 |
|
[GOL]C:507 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
20737 |
119.6 |
-0.0 |
0.611 |
7 |
0 |
0 |
0.039 |
16 |
24 |
|
[U9S]B:504 |
9 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
22 |
15 |
20734 |
118.0 |
0.8 |
0.665 |
10 |
0 |
0 |
0.095 |
25 |
|
[U9S]C:504 |
9 |
1 |
250 |
f |
C |
x,y,z |
1_555 |
21 |
15 |
20737 |
117.8 |
0.8 |
0.651 |
10 |
0 |
0 |
0.095 |
26 |
|
[U9S]A:504 |
9 |
1 |
250 |
f |
A |
x,y,z |
1_555 |
21 |
15 |
20760 |
117.7 |
0.9 |
0.654 |
10 |
0 |
0 |
0.095 |
27 |
|
[U9S]D:504 |
9 |
1 |
246 |
f |
D |
x,y,z |
1_555 |
21 |
15 |
20667 |
116.2 |
0.8 |
0.661 |
10 |
0 |
0 |
0.095 |
Average: |
117.4 |
0.8 |
0.658 |
10 |
0 |
0 |
0.095 |
17 |
28 |
|
[GOL]B:505 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
20734 |
118.0 |
-0.0 |
0.605 |
5 |
0 |
0 |
0.030 |
18 |
29 |
|
A |
12 |
5 |
20760 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
11 |
3 |
20667 |
103.5 |
0.9 |
0.807 |
1 |
0 |
0 |
0.000 |
19 |
30 |
|
[PEG]C:508 |
7 |
1 |
259 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
20760 |
99.0 |
1.8 |
0.237 |
2 |
0 |
0 |
0.000 |
20 |
31 |
|
[PEG]D:509 |
5 |
1 |
220 |
◊ |
D |
x,y,z |
1_555 |
17 |
8 |
20667 |
98.4 |
2.6 |
0.485 |
0 |
0 |
0 |
0.000 |
21 |
32 |
|
[PEG]A:507 |
5 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
20760 |
98.1 |
2.8 |
0.523 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[GLV]D:503 |
5 |
1 |
188 |
f |
D |
x,y,z |
1_555 |
20 |
14 |
20667 |
86.0 |
2.8 |
0.729 |
4 |
0 |
0 |
0.000 |
34 |
|
[GLV]C:503 |
5 |
1 |
187 |
f |
C |
x,y,z |
1_555 |
21 |
16 |
20737 |
84.9 |
2.7 |
0.724 |
4 |
0 |
0 |
0.000 |
Average: |
85.5 |
2.8 |
0.726 |
4 |
0 |
0 |
0.000 |
23 |
35 |
|
[GLV]A:503 |
5 |
1 |
190 |
f |
A |
x,y,z |
1_555 |
21 |
15 |
20760 |
85.8 |
2.8 |
0.725 |
4 |
0 |
0 |
0.000 |
36 |
|
[GLV]B:503 |
5 |
1 |
188 |
f |
B |
x,y,z |
1_555 |
22 |
14 |
20734 |
85.3 |
2.8 |
0.724 |
4 |
0 |
0 |
0.000 |
Average: |
85.6 |
2.8 |
0.724 |
4 |
0 |
0 |
0.000 |
24 |
37 |
|
[GOL]B:507 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
20734 |
85.7 |
-0.7 |
0.488 |
1 |
0 |
0 |
0.015 |
25 |
38 |
|
D |
12 |
5 |
20667 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
9 |
3 |
20737 |
81.1 |
-0.2 |
0.528 |
0 |
0 |
0 |
0.000 |
26 |
39 |
|
B |
7 |
3 |
20734 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
20760 |
78.8 |
1.8 |
0.906 |
1 |
4 |
0 |
0.000 |
27 |
40 |
|
D |
13 |
5 |
20667 |
x |
D |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
20667 |
77.4 |
-0.5 |
0.541 |
0 |
0 |
0 |
0.000 |
28 |
41 |
|
[PEG]C:508 |
6 |
1 |
259 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
20737 |
71.5 |
1.2 |
0.226 |
1 |
0 |
0 |
0.000 |
29 |
42 |
|
[GOL]B:507 |
4 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
20760 |
59.8 |
-0.5 |
0.488 |
0 |
0 |
0 |
0.003 |
30 |
43 |
|
B |
6 |
2 |
20734 |
x |
B |
x-1/2,-y-1/2,-z |
4_445 |
5 |
2 |
20734 |
58.4 |
0.7 |
0.771 |
0 |
0 |
0 |
0.000 |
31 |
44 |
|
[PEG]D:509 |
5 |
1 |
220 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
20737 |
55.6 |
2.0 |
0.468 |
1 |
0 |
0 |
0.000 |
32 |
45 |
|
[PEG]A:507 |
4 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
20734 |
55.0 |
1.8 |
0.531 |
0 |
0 |
0 |
0.000 |
33 |
46 |
|
[MG]D:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
6 |
20667 |
45.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.176 |
47 |
|
[MG]A:502 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
20760 |
45.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.176 |
48 |
|
[MG]C:502 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
20737 |
45.6 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.176 |
49 |
|
[MG]B:502 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
20734 |
45.5 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.176 |
Average: |
45.7 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.176 |
34 |
50 |
|
[PEG]D:508 |
5 |
1 |
241 |
f |
[GOL]D:507 |
x,y,z |
1_555 |
4 |
1 |
217 |
42.9 |
1.5 |
0.283 |
1 |
0 |
0 |
0.000 |
35 |
51 |
|
B |
7 |
2 |
20734 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
3 |
1 |
20667 |
40.0 |
0.3 |
0.754 |
1 |
0 |
0 |
0.000 |
36 |
52 |
|
B |
5 |
2 |
20734 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
5 |
2 |
20737 |
39.9 |
0.7 |
0.819 |
0 |
0 |
0 |
0.000 |
37 |
53 |
|
[GOL]B:505 |
3 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
20760 |
39.1 |
0.2 |
0.588 |
1 |
0 |
0 |
0.002 |
38 |
54 |
|
[MG]D:502 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
14 |
9 |
20667 |
38.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.147 |
55 |
|
[MG]B:501 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
20734 |
37.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.147 |
56 |
|
[MG]C:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
14 |
10 |
20737 |
36.8 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.147 |
57 |
|
[MG]A:501 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
14 |
10 |
20760 |
36.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.147 |
Average: |
37.2 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.147 |
39 |
58 |
|
[GOL]C:507 |
3 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
20667 |
37.6 |
-0.1 |
0.564 |
0 |
0 |
0 |
0.000 |
40 |
59 |
|
[U9S]A:504 |
6 |
1 |
250 |
f |
[GLV]A:503 |
x,y,z |
1_555 |
5 |
1 |
190 |
36.7 |
0.9 |
0.563 |
0 |
0 |
0 |
0.000 |
60 |
|
[U9S]B:504 |
6 |
1 |
252 |
f |
[GLV]B:503 |
x,y,z |
1_555 |
5 |
1 |
188 |
35.6 |
0.8 |
0.574 |
0 |
0 |
0 |
0.000 |
Average: |
36.2 |
0.8 |
0.569 |
0 |
0 |
0 |
0.000 |
41 |
61 |
|
[U9S]C:504 |
5 |
1 |
250 |
f |
[GLV]C:503 |
x,y,z |
1_555 |
5 |
1 |
187 |
36.3 |
0.9 |
0.596 |
0 |
0 |
0 |
0.000 |
62 |
|
[U9S]D:504 |
5 |
1 |
246 |
f |
[GLV]D:503 |
x,y,z |
1_555 |
5 |
1 |
188 |
35.4 |
0.9 |
0.619 |
0 |
0 |
0 |
0.000 |
Average: |
35.8 |
0.9 |
0.607 |
0 |
0 |
0 |
0.000 |
42 |
63 |
|
C |
3 |
1 |
20737 |
◊ |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
20667 |
32.6 |
1.0 |
0.905 |
1 |
2 |
0 |
0.000 |
43 |
64 |
|
[PEG]A:507 |
5 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
20737 |
32.3 |
-0.3 |
0.101 |
0 |
0 |
0 |
0.004 |
44 |
65 |
|
[PEG]D:509 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
20734 |
32.2 |
-0.2 |
0.103 |
0 |
0 |
0 |
0.003 |
45 |
66 |
|
[GOL]C:505 |
3 |
1 |
220 |
f |
[MG]C:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.2 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.037 |
67 |
|
[GOL]D:505 |
3 |
1 |
219 |
f |
[MG]D:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.1 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
27.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.037 |
46 |
68 |
|
[GOL]B:506 |
3 |
1 |
220 |
f |
[MG]B:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
28.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.038 |
69 |
|
[GOL]A:505 |
3 |
1 |
219 |
f |
[MG]A:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
27.7 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.038 |
Average: |
27.9 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.038 |
47 |
70 |
|
[GOL]D:506 |
3 |
1 |
214 |
◊ |
C |
x,y,z |
1_555 |
7 |
5 |
20737 |
27.9 |
0.2 |
0.600 |
0 |
0 |
0 |
0.000 |
48 |
71 |
|
[GLV]A:503 |
4 |
1 |
190 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.7 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.039 |
72 |
|
[GLV]B:503 |
4 |
1 |
188 |
f |
[MG]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
26.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.039 |
49 |
73 |
|
[GLV]C:503 |
4 |
1 |
187 |
f |
[MG]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.4 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.039 |
74 |
|
[GLV]D:503 |
4 |
1 |
188 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.039 |
Average: |
26.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.039 |
50 |
75 |
|
[U9S]B:504 |
3 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20760 |
20.2 |
0.2 |
0.569 |
0 |
0 |
0 |
0.002 |
76 |
|
[U9S]C:504 |
3 |
1 |
250 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
20667 |
19.6 |
-0.4 |
0.268 |
0 |
0 |
0 |
0.002 |
77 |
|
[U9S]D:504 |
3 |
1 |
246 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
20737 |
19.5 |
0.2 |
0.571 |
0 |
0 |
0 |
0.002 |
78 |
|
[U9S]A:504 |
3 |
1 |
250 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
20734 |
19.3 |
-0.4 |
0.317 |
0 |
0 |
0 |
0.002 |
Average: |
19.7 |
-0.1 |
0.431 |
0 |
0 |
0 |
0.002 |
51 |
79 |
|
B |
3 |
2 |
20734 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
2 |
1 |
20667 |
15.5 |
0.1 |
0.651 |
0 |
0 |
0 |
0.000 |
52 |
80 |
|
[U9S]C:504 |
3 |
1 |
250 |
f |
[MG]C:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.029 |
81 |
|
[U9S]A:504 |
3 |
1 |
250 |
f |
[MG]A:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.029 |
82 |
|
[U9S]B:504 |
3 |
1 |
252 |
f |
[MG]B:501 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.029 |
83 |
|
[U9S]D:504 |
3 |
1 |
246 |
f |
[MG]D:502 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.1 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.029 |
Average: |
11.3 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.029 |
53 |
84 |
|
D |
1 |
1 |
20667 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
20760 |
2.6 |
-0.0 |
0.561 |
0 |
0 |
0 |
0.000 |
|