| ## |
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 |
|
E |
135 |
37 |
11083 |
◊ |
D |
x,y,z |
1_555 |
119 |
36 |
11009 |
1240.0 |
-12.2 |
0.217 |
13 |
4 |
0 |
1.000 |
2 |
|
I |
126 |
33 |
11118 |
◊ |
H |
x,y,z |
1_555 |
124 |
38 |
11148 |
1219.6 |
-14.0 |
0.108 |
10 |
2 |
0 |
1.000 |
3 |
|
H |
125 |
34 |
11148 |
◊ |
G |
x,y,z |
1_555 |
122 |
35 |
11137 |
1217.8 |
-13.9 |
0.118 |
9 |
3 |
0 |
1.000 |
4 |
|
B |
128 |
37 |
11031 |
◊ |
A |
x,y,z |
1_555 |
120 |
37 |
11092 |
1211.9 |
-12.2 |
0.167 |
12 |
6 |
0 |
1.000 |
5 |
|
G |
122 |
35 |
11137 |
◊ |
F |
x,y,z |
1_555 |
125 |
38 |
10999 |
1210.1 |
-11.9 |
0.203 |
8 |
3 |
0 |
1.000 |
6 |
|
J |
120 |
36 |
11031 |
◊ |
F |
x,y,z |
1_555 |
126 |
35 |
10999 |
1198.8 |
-11.4 |
0.216 |
13 |
3 |
0 |
1.000 |
7 |
|
C |
120 |
33 |
11037 |
◊ |
B |
x,y,z |
1_555 |
125 |
38 |
11031 |
1190.3 |
-12.5 |
0.166 |
10 |
1 |
0 |
1.000 |
8 |
|
J |
124 |
33 |
11031 |
◊ |
I |
x,y,z |
1_555 |
119 |
35 |
11118 |
1168.7 |
-14.0 |
0.109 |
10 |
1 |
0 |
1.000 |
9 |
|
D |
122 |
33 |
11009 |
◊ |
C |
x,y,z |
1_555 |
116 |
36 |
11037 |
1163.8 |
-12.8 |
0.154 |
9 |
1 |
0 |
1.000 |
10 |
|
E |
119 |
37 |
11083 |
◊ |
A |
x,y,z |
1_555 |
127 |
35 |
11092 |
1126.5 |
-16.3 |
0.070 |
7 |
1 |
0 |
1.000 |
| Average: |
1194.7 |
-13.1 |
0.153 |
10 |
3 |
0 |
1.000 |
| 2 |
11 |
|
Q |
38 |
9 |
1197 |
◊ |
G |
x,y,z |
1_555 |
64 |
16 |
11137 |
423.0 |
-4.2 |
0.524 |
6 |
3 |
0 |
1.000 |
12 |
|
P |
38 |
8 |
1210 |
◊ |
F |
x,y,z |
1_555 |
65 |
16 |
10999 |
413.7 |
-4.1 |
0.493 |
5 |
4 |
0 |
1.000 |
13 |
|
O |
37 |
8 |
1222 |
◊ |
E |
x,y,z |
1_555 |
61 |
16 |
11083 |
412.1 |
-4.1 |
0.483 |
4 |
5 |
0 |
1.000 |
14 |
|
M |
39 |
8 |
1206 |
◊ |
C |
x,y,z |
1_555 |
64 |
17 |
11037 |
408.0 |
-3.7 |
0.521 |
6 |
1 |
0 |
1.000 |
15 |
|
S |
37 |
8 |
1226 |
◊ |
I |
x,y,z |
1_555 |
60 |
15 |
11118 |
407.6 |
-3.9 |
0.408 |
7 |
3 |
0 |
1.000 |
16 |
|
T |
38 |
8 |
1217 |
◊ |
J |
x,y,z |
1_555 |
59 |
15 |
11031 |
397.3 |
-3.7 |
0.465 |
4 |
5 |
0 |
1.000 |
17 |
|
K |
36 |
8 |
1197 |
◊ |
A |
x,y,z |
1_555 |
57 |
15 |
11092 |
389.6 |
-2.8 |
0.498 |
8 |
4 |
0 |
1.000 |
18 |
|
R |
36 |
8 |
1199 |
◊ |
H |
x,y,z |
1_555 |
60 |
16 |
11148 |
387.6 |
-4.5 |
0.434 |
3 |
1 |
0 |
1.000 |
| Average: |
404.9 |
-3.9 |
0.478 |
5 |
3 |
0 |
1.000 |
| 3 |
19 |
|
P |
35 |
9 |
1210 |
◊ |
G |
x,y,z |
1_555 |
37 |
14 |
11137 |
362.8 |
-1.5 |
0.646 |
5 |
0 |
0 |
0.186 |
20 |
|
Q |
33 |
8 |
1197 |
◊ |
H |
x,y,z |
1_555 |
40 |
14 |
11148 |
357.0 |
-4.8 |
0.400 |
3 |
0 |
0 |
0.186 |
21 |
|
T |
33 |
8 |
1217 |
◊ |
F |
x,y,z |
1_555 |
39 |
13 |
10999 |
349.7 |
-4.1 |
0.428 |
3 |
0 |
0 |
0.186 |
22 |
|
O |
35 |
8 |
1222 |
◊ |
A |
x,y,z |
1_555 |
38 |
14 |
11092 |
345.2 |
-5.3 |
0.346 |
3 |
0 |
0 |
0.186 |
23 |
|
S |
35 |
9 |
1226 |
◊ |
J |
x,y,z |
1_555 |
37 |
13 |
11031 |
344.2 |
-4.8 |
0.371 |
3 |
0 |
0 |
0.186 |
24 |
|
M |
32 |
8 |
1206 |
◊ |
D |
x,y,z |
1_555 |
38 |
13 |
11009 |
340.2 |
-4.8 |
0.350 |
3 |
0 |
0 |
0.186 |
25 |
|
R |
33 |
9 |
1199 |
◊ |
I |
x,y,z |
1_555 |
38 |
14 |
11118 |
336.4 |
-4.8 |
0.357 |
2 |
0 |
0 |
0.186 |
| Average: |
347.9 |
-4.3 |
0.414 |
3 |
0 |
0 |
0.186 |
| 4 |
26 |
|
K |
33 |
8 |
1197 |
◊ |
B |
x,y,z |
1_555 |
40 |
13 |
11031 |
352.9 |
-4.4 |
0.399 |
3 |
0 |
0 |
0.045 |
| 5 |
27 |
|
I |
38 |
10 |
11118 |
◊ |
A |
x,y,z |
1_555 |
38 |
11 |
11092 |
328.3 |
4.4 |
0.930 |
8 |
5 |
0 |
0.000 |
28 |
|
H |
40 |
10 |
11148 |
◊ |
B |
x,y,z |
1_555 |
41 |
11 |
11031 |
323.8 |
3.1 |
0.850 |
3 |
5 |
0 |
0.000 |
29 |
|
J |
37 |
10 |
11031 |
◊ |
E |
x,y,z |
1_555 |
38 |
11 |
11083 |
321.5 |
2.5 |
0.883 |
6 |
5 |
0 |
0.000 |
30 |
|
F |
37 |
10 |
10999 |
◊ |
D |
x,y,z |
1_555 |
36 |
9 |
11009 |
290.3 |
2.9 |
0.905 |
5 |
6 |
0 |
0.000 |
31 |
|
G |
36 |
10 |
11137 |
◊ |
C |
x,y,z |
1_555 |
36 |
10 |
11037 |
288.7 |
3.0 |
0.892 |
6 |
6 |
0 |
0.000 |
| Average: |
310.5 |
3.2 |
0.892 |
6 |
5 |
0 |
0.000 |
| 6 |
32 |
|
J |
31 |
13 |
11031 |
◊ |
B |
x-1,y,z |
1_455 |
27 |
10 |
11031 |
316.1 |
1.9 |
0.830 |
8 |
2 |
0 |
0.000 |
| 7 |
33 |
|
G |
38 |
11 |
11137 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
12 |
11037 |
280.7 |
0.4 |
0.646 |
3 |
2 |
0 |
0.000 |
| 8 |
34 |
|
I |
29 |
7 |
11118 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
24 |
10 |
11009 |
201.3 |
1.5 |
0.815 |
3 |
0 |
0 |
0.000 |
| 9 |
35 |
|
A |
21 |
9 |
11092 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
15 |
5 |
11009 |
129.1 |
1.6 |
0.839 |
0 |
0 |
0 |
0.000 |
| 10 |
36 |
|
A |
16 |
6 |
11092 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
13 |
6 |
11037 |
114.8 |
-1.5 |
0.356 |
0 |
0 |
0 |
0.000 |
| 11 |
37 |
|
H |
10 |
3 |
11148 |
◊ |
J |
-x,y-1/2,-z+1 |
2_546 |
11 |
6 |
11031 |
111.1 |
1.8 |
0.876 |
2 |
1 |
0 |
0.000 |
| 12 |
38 |
|
E |
10 |
3 |
11083 |
◊ |
F |
x,y,z-1 |
1_554 |
14 |
5 |
10999 |
106.9 |
0.9 |
0.743 |
2 |
0 |
0 |
0.000 |
| 13 |
39 |
|
G |
8 |
4 |
11137 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
5 |
11031 |
86.9 |
-0.2 |
0.596 |
0 |
0 |
0 |
0.000 |
| 14 |
40 |
|
H |
7 |
2 |
11148 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
12 |
5 |
11009 |
81.5 |
-1.0 |
0.395 |
0 |
0 |
0 |
0.004 |
| 15 |
41 |
|
R |
6 |
2 |
1199 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
7 |
2 |
11009 |
68.9 |
-2.3 |
0.165 |
1 |
0 |
0 |
0.030 |
| 16 |
42 |
|
[NH2]K:13 |
1 |
1 |
117 |
cf |
K |
x,y,z |
1_555 |
7 |
4 |
1197 |
56.6 |
0.7 |
0.801 |
0 |
0 |
0 |
0.000 |
43 |
|
[NH2]O:13 |
1 |
1 |
117 |
cf |
O |
x,y,z |
1_555 |
6 |
3 |
1222 |
55.4 |
0.6 |
0.793 |
0 |
0 |
0 |
0.000 |
44 |
|
[NH2]R:13 |
1 |
1 |
117 |
cf |
R |
x,y,z |
1_555 |
8 |
4 |
1199 |
55.2 |
0.6 |
0.792 |
0 |
0 |
0 |
0.000 |
45 |
|
[NH2]S:13 |
1 |
1 |
117 |
cf |
S |
x,y,z |
1_555 |
7 |
3 |
1226 |
55.0 |
0.5 |
0.771 |
0 |
0 |
0 |
0.000 |
46 |
|
[NH2]Q:13 |
1 |
1 |
117 |
cf |
Q |
x,y,z |
1_555 |
7 |
4 |
1197 |
54.9 |
0.6 |
0.804 |
0 |
0 |
0 |
0.000 |
47 |
|
[NH2]M:13 |
1 |
1 |
117 |
cf |
M |
x,y,z |
1_555 |
8 |
4 |
1206 |
54.3 |
0.6 |
0.798 |
0 |
0 |
0 |
0.000 |
48 |
|
[NH2]T:13 |
1 |
1 |
117 |
cf |
T |
x,y,z |
1_555 |
6 |
3 |
1217 |
53.7 |
0.6 |
0.769 |
0 |
0 |
0 |
0.000 |
49 |
|
[NH2]P:13 |
1 |
1 |
117 |
cf |
P |
x,y,z |
1_555 |
6 |
3 |
1210 |
52.6 |
0.4 |
0.762 |
0 |
0 |
0 |
0.000 |
| Average: |
54.7 |
0.6 |
0.786 |
0 |
0 |
0 |
0.000 |
| 17 |
50 |
|
H |
7 |
2 |
11148 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
5 |
11031 |
56.0 |
-0.6 |
0.500 |
0 |
0 |
0 |
0.000 |
| 18 |
51 |
|
Q |
3 |
2 |
1197 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
4 |
11031 |
52.3 |
-0.2 |
0.553 |
0 |
0 |
0 |
0.000 |
| 19 |
52 |
|
H |
7 |
4 |
11148 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
3 |
2 |
10999 |
50.3 |
-1.0 |
0.192 |
0 |
0 |
0 |
0.000 |
| 20 |
53 |
|
S |
7 |
3 |
1226 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
2 |
11031 |
40.2 |
0.2 |
0.715 |
0 |
0 |
0 |
0.000 |
| 21 |
54 |
|
[NH2]T:13 |
1 |
1 |
117 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
10999 |
34.2 |
0.4 |
0.763 |
0 |
0 |
0 |
0.000 |
55 |
|
[NH2]O:13 |
1 |
1 |
117 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
11092 |
33.3 |
0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
56 |
|
[NH2]M:13 |
1 |
1 |
117 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
11009 |
32.4 |
0.2 |
0.704 |
0 |
0 |
0 |
0.000 |
57 |
|
[NH2]R:13 |
1 |
1 |
117 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
11118 |
31.5 |
0.3 |
0.741 |
0 |
0 |
0 |
0.000 |
58 |
|
[NH2]S:13 |
1 |
1 |
117 |
◊ |
J |
x,y,z |
1_555 |
3 |
3 |
11031 |
30.8 |
0.5 |
0.837 |
0 |
0 |
0 |
0.000 |
59 |
|
[NH2]Q:13 |
1 |
1 |
117 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
11148 |
29.9 |
0.2 |
0.728 |
0 |
0 |
0 |
0.000 |
60 |
|
[NH2]K:13 |
1 |
1 |
117 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
11031 |
29.2 |
0.5 |
0.829 |
0 |
0 |
0 |
0.000 |
| Average: |
31.6 |
0.3 |
0.750 |
0 |
0 |
0 |
0.000 |
| 22 |
61 |
|
H |
2 |
1 |
11148 |
◊ |
T |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
1217 |
21.8 |
0.1 |
0.625 |
0 |
0 |
0 |
0.000 |
| 23 |
62 |
|
O |
2 |
1 |
1222 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
2 |
1 |
11037 |
20.6 |
-0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
| 24 |
63 |
|
E |
5 |
2 |
11083 |
◊ |
G |
x,y,z-1 |
1_554 |
1 |
1 |
11137 |
20.2 |
0.4 |
0.773 |
0 |
0 |
0 |
0.000 |
| 25 |
64 |
|
H |
3 |
1 |
11148 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
11092 |
19.8 |
0.4 |
0.590 |
0 |
0 |
0 |
0.000 |
65 |
|
I |
4 |
3 |
11118 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
11083 |
16.7 |
0.1 |
0.661 |
0 |
0 |
0 |
0.000 |
66 |
|
J |
1 |
1 |
11031 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11009 |
7.2 |
0.2 |
0.794 |
0 |
0 |
0 |
0.000 |
67 |
|
G |
2 |
2 |
11137 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
11031 |
6.4 |
0.1 |
0.724 |
0 |
0 |
0 |
0.000 |
68 |
|
F |
1 |
1 |
10999 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11037 |
1.8 |
0.0 |
0.700 |
0 |
0 |
0 |
0.000 |
| Average: |
10.4 |
0.2 |
0.694 |
0 |
0 |
0 |
0.000 |
| 26 |
69 |
|
[NH2]P:13 |
1 |
1 |
117 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
11137 |
17.5 |
0.4 |
0.868 |
0 |
0 |
0 |
0.000 |
| 27 |
70 |
|
I |
3 |
1 |
11118 |
◊ |
F |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
10999 |
13.4 |
0.5 |
0.787 |
0 |
0 |
0 |
0.000 |
| 28 |
71 |
|
E |
2 |
2 |
11083 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
3 |
1 |
11037 |
10.7 |
-0.1 |
0.489 |
0 |
0 |
0 |
0.000 |
| 29 |
72 |
|
[NH2]S:13 |
1 |
1 |
117 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
11031 |
4.7 |
0.1 |
0.864 |
0 |
0 |
0 |
0.000 |
| 30 |
73 |
|
[NH2]R:13 |
1 |
1 |
117 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
2 |
1 |
11009 |
3.2 |
0.1 |
0.850 |
0 |
0 |
0 |
0.000 |
| 31 |
74 |
|
I |
1 |
1 |
11118 |
◊ |
B |
x-1,y,z |
1_455 |
1 |
1 |
11031 |
0.4 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
|