| ## |
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 |
238 |
67 |
40576 |
◊ |
A |
x,y,z |
1_555 |
231 |
66 |
40354 |
2395.9 |
-11.0 |
0.397 |
27 |
16 |
0 |
0.510 |
2 |
|
C |
231 |
66 |
40595 |
◊ |
B |
x,y,z |
1_555 |
229 |
66 |
40522 |
2358.8 |
-13.7 |
0.279 |
28 |
14 |
0 |
0.510 |
| Average: |
2377.4 |
-12.3 |
0.338 |
28 |
15 |
0 |
0.510 |
| 2 |
3 |
|
B |
204 |
60 |
40522 |
◊ |
A |
x,y,z |
1_555 |
194 |
59 |
40354 |
1963.5 |
-10.3 |
0.366 |
25 |
6 |
0 |
0.404 |
4 |
|
D |
188 |
59 |
40576 |
◊ |
C |
x,y,z |
1_555 |
186 |
59 |
40595 |
1898.6 |
-10.0 |
0.347 |
28 |
6 |
0 |
0.404 |
| Average: |
1931.1 |
-10.2 |
0.356 |
27 |
6 |
0 |
0.404 |
| 3 |
5 |
|
B |
86 |
29 |
40522 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
89 |
31 |
40595 |
730.5 |
6.3 |
0.959 |
7 |
6 |
0 |
0.000 |
| 4 |
6 |
|
B |
76 |
23 |
40522 |
◊ |
D |
-x-1/2,-y,z-1/2 |
2_454 |
58 |
22 |
40576 |
611.5 |
-0.2 |
0.704 |
4 |
0 |
0 |
0.000 |
7 |
|
A |
59 |
20 |
40354 |
◊ |
C |
-x+1/2,-y,z-1/2 |
2_554 |
59 |
20 |
40595 |
489.0 |
-0.8 |
0.639 |
1 |
0 |
0 |
0.000 |
| Average: |
550.2 |
-0.5 |
0.671 |
3 |
0 |
0 |
0.000 |
| 5 |
8 |
|
D |
60 |
17 |
40576 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
59 |
17 |
40354 |
526.5 |
-0.4 |
0.668 |
7 |
4 |
0 |
0.000 |
| 6 |
9 |
|
C |
35 |
12 |
40595 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
30 |
8 |
40576 |
279.1 |
-1.6 |
0.462 |
0 |
1 |
0 |
0.000 |
10 |
|
A |
25 |
8 |
40354 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
28 |
11 |
40522 |
202.8 |
-2.2 |
0.323 |
0 |
0 |
0 |
0.000 |
| Average: |
241.0 |
-1.9 |
0.393 |
0 |
1 |
0 |
0.000 |
| 7 |
11 |
|
A |
27 |
8 |
40354 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
36 |
10 |
40595 |
253.3 |
0.4 |
0.700 |
4 |
1 |
0 |
0.000 |
| 8 |
12 |
|
A |
28 |
9 |
40354 |
◊ |
B |
-x,y-1/2,-z-1/2 |
3_544 |
26 |
8 |
40522 |
215.5 |
-0.3 |
0.593 |
2 |
0 |
0 |
0.000 |
| 9 |
13 |
|
[DMS]D:8003 |
4 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
29 |
13 |
40576 |
157.3 |
3.3 |
0.499 |
0 |
0 |
0 |
0.000 |
| 10 |
14 |
|
[DMS]C:8002 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
28 |
14 |
40595 |
151.3 |
3.6 |
0.621 |
1 |
0 |
0 |
0.000 |
| 11 |
15 |
|
[DMS]A:8003 |
4 |
1 |
213 |
f |
A |
x,y,z |
1_555 |
26 |
13 |
40354 |
151.2 |
3.9 |
0.614 |
1 |
0 |
0 |
0.000 |
| 12 |
16 |
|
[DMS]B:8003 |
4 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
24 |
13 |
40522 |
148.9 |
4.0 |
0.629 |
1 |
0 |
0 |
0.000 |
| 13 |
17 |
|
[DMS]D:8001 |
4 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
23 |
10 |
40576 |
140.7 |
4.1 |
0.567 |
1 |
0 |
0 |
0.000 |
| 14 |
18 |
|
[DMS]B:8001 |
4 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
24 |
10 |
40522 |
139.1 |
4.0 |
0.684 |
1 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[DMS]A:8001 |
4 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
25 |
10 |
40354 |
138.8 |
4.1 |
0.686 |
1 |
0 |
0 |
0.000 |
| 16 |
20 |
|
[DMS]B:8002 |
4 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
23 |
9 |
40522 |
129.0 |
4.0 |
0.621 |
0 |
0 |
0 |
0.000 |
| 17 |
21 |
|
[DMS]C:8001 |
4 |
1 |
213 |
f |
C |
x,y,z |
1_555 |
19 |
8 |
40595 |
127.8 |
4.0 |
0.629 |
1 |
0 |
0 |
0.000 |
22 |
|
[DMS]D:8002 |
4 |
1 |
213 |
f |
D |
x,y,z |
1_555 |
20 |
9 |
40576 |
127.6 |
4.0 |
0.628 |
1 |
0 |
0 |
0.000 |
| Average: |
127.7 |
4.0 |
0.629 |
1 |
0 |
0 |
0.000 |
| 18 |
23 |
|
[DMS]D:8004 |
4 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
24 |
11 |
40576 |
126.7 |
4.3 |
0.716 |
0 |
0 |
0 |
0.000 |
| 19 |
24 |
|
[DMS]A:8002 |
4 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
40354 |
123.8 |
3.8 |
0.623 |
2 |
0 |
0 |
0.000 |
| 20 |
25 |
|
[DMS]A:8004 |
4 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
40354 |
122.0 |
3.5 |
0.581 |
0 |
0 |
0 |
0.000 |
| 21 |
26 |
|
C |
11 |
4 |
40595 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
40354 |
121.5 |
0.9 |
0.803 |
2 |
0 |
0 |
0.000 |
27 |
|
D |
13 |
4 |
40576 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
40522 |
105.7 |
0.8 |
0.756 |
2 |
0 |
0 |
0.000 |
| Average: |
113.6 |
0.9 |
0.779 |
2 |
0 |
0 |
0.000 |
| 22 |
28 |
|
[DMS]B:8007 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
40522 |
121.5 |
2.9 |
0.569 |
1 |
0 |
0 |
0.000 |
| 23 |
29 |
|
[DMS]B:8004 |
4 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
40522 |
118.9 |
3.3 |
0.472 |
0 |
0 |
0 |
0.000 |
| 24 |
30 |
|
[DMS]A:8007 |
4 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
18 |
9 |
40576 |
118.5 |
2.1 |
0.426 |
1 |
0 |
0 |
0.000 |
| 25 |
31 |
|
[DMS]A:8006 |
4 |
1 |
213 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
40354 |
118.3 |
2.4 |
0.461 |
1 |
0 |
0 |
0.000 |
| 26 |
32 |
|
[DMS]D:8008 |
4 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
16 |
9 |
40576 |
117.5 |
2.2 |
0.500 |
1 |
0 |
0 |
0.000 |
| 27 |
33 |
|
[DMS]D:8005 |
4 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
18 |
10 |
40576 |
114.3 |
3.8 |
0.547 |
0 |
0 |
0 |
0.000 |
| 28 |
34 |
|
[DMS]C:8005 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
40595 |
113.4 |
1.9 |
0.417 |
1 |
0 |
0 |
0.000 |
| 29 |
35 |
|
[DMS]C:8004 |
4 |
1 |
215 |
◊ |
C |
x,y,z |
1_555 |
19 |
11 |
40595 |
111.2 |
3.6 |
0.542 |
0 |
0 |
0 |
0.000 |
| 30 |
36 |
|
[DMS]D:8007 |
4 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
40576 |
110.9 |
2.3 |
0.423 |
2 |
0 |
0 |
0.000 |
| 31 |
37 |
|
[DMS]B:8008 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
40522 |
107.3 |
3.3 |
0.464 |
0 |
0 |
0 |
0.000 |
| 32 |
38 |
|
[DMS]D:8006 |
4 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
40576 |
104.2 |
2.5 |
0.450 |
0 |
0 |
0 |
0.000 |
| 33 |
39 |
|
[DMS]D:8009 |
4 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
18 |
8 |
40576 |
104.1 |
1.3 |
0.344 |
0 |
0 |
0 |
0.000 |
| 34 |
40 |
|
[DMS]C:8007 |
4 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
40595 |
102.7 |
1.3 |
0.320 |
0 |
0 |
0 |
0.000 |
| 35 |
41 |
|
[DMS]B:8006 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
40522 |
99.7 |
0.7 |
0.340 |
0 |
0 |
0 |
0.000 |
| 36 |
42 |
|
[DMS]C:8006 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
40595 |
97.4 |
2.3 |
0.481 |
1 |
0 |
0 |
0.000 |
| 37 |
43 |
|
[DMS]D:8010 |
4 |
1 |
213 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
40576 |
97.3 |
2.0 |
0.524 |
1 |
0 |
0 |
0.000 |
| 38 |
44 |
|
[DMS]A:8005 |
4 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
40354 |
96.5 |
2.3 |
0.544 |
1 |
0 |
0 |
0.000 |
| 39 |
45 |
|
[DMS]C:8003 |
4 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
40595 |
96.1 |
1.2 |
0.394 |
1 |
0 |
0 |
0.000 |
| 40 |
46 |
|
[DMS]B:8005 |
4 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
40522 |
94.6 |
1.2 |
0.397 |
0 |
0 |
0 |
0.000 |
| 41 |
47 |
|
[NA]B:3101 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
8 |
40522 |
73.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.419 |
48 |
|
[NA]D:3101 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
40576 |
73.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.419 |
49 |
|
[NA]A:3101 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
40354 |
72.1 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.419 |
50 |
|
[NA]C:3101 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
40595 |
70.6 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.419 |
| Average: |
72.5 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.419 |
| 42 |
51 |
|
[NA]D:3103 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
40576 |
73.1 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.365 |
52 |
|
[NA]A:3103 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
40354 |
72.0 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.365 |
| Average: |
72.5 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.365 |
| 43 |
53 |
|
[NA]A:3102 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
40354 |
67.6 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.399 |
54 |
|
[NA]C:3102 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
13 |
8 |
40595 |
67.5 |
-11.1 |
0.000 |
0 |
0 |
0 |
0.399 |
55 |
|
[NA]B:3102 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
40522 |
67.3 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.399 |
56 |
|
[NA]D:3102 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
40576 |
67.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.399 |
| Average: |
67.4 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.399 |
| 44 |
57 |
|
[DMS]A:8007 |
2 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
40354 |
66.8 |
1.9 |
0.635 |
0 |
0 |
0 |
0.000 |
| 45 |
58 |
|
[MG]B:3001 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
40522 |
53.0 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.340 |
59 |
|
[MG]A:3001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
40354 |
52.9 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.340 |
60 |
|
[MG]C:3001 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
40595 |
51.8 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.340 |
61 |
|
[MG]D:3001 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
40576 |
51.1 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.340 |
| Average: |
52.2 |
-9.5 |
0.000 |
0 |
0 |
0 |
0.340 |
| 46 |
62 |
|
[DMS]B:8008 |
3 |
1 |
214 |
f |
[DMS]B:8004 |
x,y,z |
1_555 |
3 |
1 |
215 |
37.3 |
1.3 |
0.203 |
0 |
0 |
0 |
0.000 |
| 47 |
63 |
|
B |
2 |
1 |
40522 |
f |
[DMS]C:8004 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
215 |
20.3 |
0.4 |
0.275 |
0 |
0 |
0 |
0.000 |
| 48 |
64 |
|
[DMS]B:8007 |
1 |
1 |
214 |
f |
[DMS]B:8005 |
x,y,z |
1_555 |
2 |
1 |
216 |
16.0 |
0.8 |
0.468 |
0 |
0 |
0 |
0.000 |
| 49 |
65 |
|
[DMS]D:8010 |
2 |
1 |
213 |
f |
[DMS]D:8008 |
x,y,z |
1_555 |
2 |
1 |
215 |
14.8 |
0.6 |
0.438 |
0 |
0 |
0 |
0.000 |
| 50 |
66 |
|
[DMS]C:8005 |
1 |
1 |
214 |
f |
[DMS]C:8003 |
x,y,z |
1_555 |
1 |
1 |
215 |
10.2 |
0.5 |
0.354 |
0 |
0 |
0 |
0.000 |
| 51 |
67 |
|
D |
3 |
1 |
40576 |
◊ |
B |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
40522 |
3.6 |
0.0 |
0.662 |
0 |
0 |
0 |
0.000 |
|