| ## |
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 |
|
N |
366 |
100 |
21989 |
◊ |
I |
x,y,z |
1_555 |
364 |
97 |
26757 |
3426.7 |
-15.9 |
0.495 |
29 |
11 |
0 |
0.730 |
2 |
|
E |
361 |
106 |
22222 |
◊ |
C |
x,y,z |
1_555 |
359 |
99 |
25988 |
3388.9 |
-16.0 |
0.502 |
36 |
4 |
0 |
0.730 |
3 |
|
F |
355 |
95 |
21999 |
◊ |
A |
x,y,z |
1_555 |
352 |
97 |
26818 |
3348.1 |
-13.9 |
0.508 |
26 |
10 |
0 |
0.730 |
4 |
|
M |
348 |
100 |
22252 |
◊ |
K |
x,y,z |
1_555 |
345 |
97 |
26041 |
3279.8 |
-15.1 |
0.523 |
32 |
3 |
0 |
0.730 |
| Average: |
3360.9 |
-15.2 |
0.507 |
31 |
7 |
0 |
0.730 |
| 2 |
5 |
|
D |
262 |
76 |
21332 |
◊ |
A |
x,y,z |
1_555 |
268 |
73 |
26818 |
2480.7 |
-14.8 |
0.410 |
16 |
7 |
0 |
0.353 |
6 |
|
L |
262 |
75 |
21375 |
◊ |
I |
x,y,z |
1_555 |
270 |
73 |
26757 |
2470.4 |
-15.2 |
0.405 |
15 |
6 |
0 |
0.353 |
| Average: |
2475.6 |
-15.0 |
0.408 |
16 |
7 |
0 |
0.353 |
| 3 |
7 |
|
L |
249 |
67 |
21375 |
◊ |
J |
x,y,z |
1_555 |
257 |
68 |
27314 |
2340.1 |
-9.7 |
0.581 |
27 |
2 |
0 |
0.246 |
8 |
|
D |
249 |
63 |
21332 |
◊ |
B |
x,y,z |
1_555 |
256 |
69 |
27251 |
2311.4 |
-8.5 |
0.574 |
28 |
2 |
0 |
0.246 |
| Average: |
2325.8 |
-9.1 |
0.577 |
28 |
2 |
0 |
0.246 |
| 4 |
9 |
|
F |
207 |
68 |
21999 |
◊ |
C |
x,y,z |
1_555 |
213 |
64 |
25988 |
1868.0 |
-11.7 |
0.445 |
13 |
5 |
0 |
0.120 |
10 |
|
N |
208 |
66 |
21989 |
◊ |
K |
x,y,z |
1_555 |
212 |
65 |
26041 |
1859.6 |
-12.0 |
0.431 |
15 |
5 |
0 |
0.120 |
| Average: |
1863.8 |
-11.9 |
0.438 |
14 |
5 |
0 |
0.120 |
| 5 |
11 |
|
M |
171 |
55 |
22252 |
◊ |
J |
x,y,z |
1_555 |
167 |
47 |
27314 |
1595.5 |
-6.8 |
0.600 |
9 |
2 |
0 |
0.069 |
12 |
|
E |
165 |
52 |
22222 |
◊ |
B |
x,y,z |
1_555 |
160 |
48 |
27251 |
1519.2 |
-5.9 |
0.630 |
8 |
2 |
0 |
0.069 |
| Average: |
1557.3 |
-6.4 |
0.615 |
9 |
2 |
0 |
0.069 |
| 6 |
13 |
|
P |
151 |
41 |
7274 |
◊ |
O |
x,y,z |
1_555 |
169 |
53 |
15571 |
1542.3 |
-22.7 |
0.105 |
7 |
2 |
0 |
1.000 |
14 |
|
H |
153 |
40 |
7283 |
◊ |
G |
x,y,z |
1_555 |
168 |
57 |
15495 |
1527.0 |
-22.9 |
0.107 |
5 |
2 |
0 |
1.000 |
| Average: |
1534.6 |
-22.8 |
0.106 |
6 |
2 |
0 |
1.000 |
| 7 |
15 |
|
O |
69 |
26 |
15571 |
◊ |
L |
x,y,z |
1_555 |
68 |
24 |
21375 |
686.6 |
-1.9 |
0.624 |
3 |
2 |
0 |
0.002 |
16 |
|
G |
68 |
24 |
15495 |
◊ |
D |
x,y,z |
1_555 |
71 |
23 |
21332 |
682.4 |
-2.1 |
0.635 |
4 |
0 |
0 |
0.002 |
| Average: |
684.5 |
-2.0 |
0.629 |
4 |
1 |
0 |
0.002 |
| 8 |
17 |
|
O |
66 |
15 |
15571 |
◊ |
M |
x,y,z |
1_555 |
70 |
18 |
22252 |
640.7 |
-1.0 |
0.453 |
3 |
4 |
0 |
0.000 |
| 9 |
18 |
|
G |
66 |
15 |
15495 |
◊ |
E |
x,y,z |
1_555 |
66 |
18 |
22222 |
609.2 |
-1.1 |
0.439 |
3 |
4 |
0 |
0.002 |
| 10 |
19 |
|
G |
55 |
18 |
15495 |
◊ |
A |
x,y,z |
1_555 |
52 |
17 |
26818 |
496.6 |
-8.5 |
0.144 |
2 |
0 |
0 |
0.005 |
20 |
|
O |
53 |
19 |
15571 |
◊ |
I |
x,y,z |
1_555 |
54 |
17 |
26757 |
479.8 |
-7.9 |
0.171 |
1 |
0 |
0 |
0.005 |
| Average: |
488.2 |
-8.2 |
0.157 |
2 |
0 |
0 |
0.005 |
| 11 |
21 |
|
O |
49 |
15 |
15571 |
◊ |
K |
x,y,z |
1_555 |
59 |
17 |
26041 |
481.4 |
3.2 |
0.726 |
4 |
4 |
0 |
0.000 |
22 |
|
G |
42 |
13 |
15495 |
◊ |
C |
x,y,z |
1_555 |
51 |
17 |
25988 |
370.1 |
2.0 |
0.694 |
4 |
1 |
0 |
0.000 |
| Average: |
425.8 |
2.6 |
0.710 |
4 |
3 |
0 |
0.000 |
| 12 |
23 |
|
P |
63 |
17 |
7274 |
◊ |
G |
x,y,z-1 |
1_554 |
49 |
15 |
15495 |
459.8 |
-5.3 |
0.337 |
0 |
0 |
0 |
0.000 |
| 13 |
24 |
|
G |
48 |
14 |
15495 |
◊ |
F |
x,y,z |
1_555 |
53 |
17 |
21999 |
446.9 |
4.5 |
0.885 |
2 |
0 |
0 |
0.000 |
| 14 |
25 |
|
G |
50 |
17 |
15495 |
◊ |
B |
x,y,z |
1_555 |
48 |
15 |
27251 |
439.1 |
-0.1 |
0.703 |
2 |
1 |
0 |
0.000 |
26 |
|
O |
39 |
15 |
15571 |
◊ |
J |
x,y,z |
1_555 |
41 |
14 |
27314 |
345.2 |
0.2 |
0.703 |
0 |
0 |
0 |
0.000 |
| Average: |
392.1 |
0.1 |
0.703 |
1 |
1 |
0 |
0.001 |
| 15 |
27 |
|
J |
41 |
19 |
27314 |
◊ |
B |
-x+1,-x+y,-z |
6_655 |
45 |
17 |
27251 |
383.1 |
-5.9 |
0.181 |
0 |
0 |
0 |
0.000 |
| 16 |
28 |
|
O |
39 |
15 |
15571 |
◊ |
H |
x,y,z-1 |
1_554 |
43 |
14 |
7283 |
329.2 |
-2.5 |
0.461 |
2 |
0 |
0 |
0.000 |
| 17 |
29 |
|
[ADP]I:600 |
26 |
1 |
553 |
f |
I |
x,y,z |
1_555 |
52 |
18 |
26757 |
307.6 |
-6.1 |
0.457 |
10 |
0 |
0 |
0.248 |
30 |
|
[ADP]A:600 |
25 |
1 |
554 |
f |
A |
x,y,z |
1_555 |
50 |
17 |
26818 |
305.5 |
-6.4 |
0.459 |
9 |
0 |
0 |
0.248 |
| Average: |
306.5 |
-6.2 |
0.458 |
10 |
0 |
0 |
0.248 |
| 18 |
31 |
|
O |
29 |
11 |
15571 |
◊ |
N |
x,y,z |
1_555 |
34 |
14 |
21989 |
295.6 |
3.2 |
0.872 |
0 |
0 |
0 |
0.000 |
| 19 |
32 |
|
M |
37 |
11 |
22252 |
◊ |
J |
x-y,-y,-z |
5_555 |
37 |
10 |
27314 |
290.1 |
-1.6 |
0.508 |
0 |
0 |
0 |
0.000 |
| 20 |
33 |
|
[ADP]K:600 |
25 |
1 |
523 |
f |
K |
x,y,z |
1_555 |
47 |
18 |
26041 |
283.6 |
-5.4 |
0.408 |
5 |
0 |
0 |
0.183 |
34 |
|
[ADP]C:600 |
25 |
1 |
524 |
f |
C |
x,y,z |
1_555 |
46 |
18 |
25988 |
279.5 |
-5.4 |
0.411 |
5 |
0 |
0 |
0.183 |
| Average: |
281.5 |
-5.4 |
0.410 |
5 |
0 |
0 |
0.183 |
| 21 |
35 |
|
L |
30 |
12 |
21375 |
◊ |
L |
x-y,-y,-z-1 |
5_554 |
30 |
12 |
21375 |
257.1 |
-0.6 |
0.627 |
0 |
0 |
0 |
0.000 |
| 22 |
36 |
|
F |
22 |
6 |
21999 |
◊ |
K |
x,y,z |
1_555 |
20 |
6 |
26041 |
181.2 |
-0.6 |
0.606 |
0 |
0 |
0 |
0.000 |
| 23 |
37 |
|
P |
19 |
5 |
7274 |
◊ |
J |
x,y,z |
1_555 |
21 |
8 |
27314 |
168.1 |
-3.3 |
0.264 |
0 |
0 |
0 |
0.000 |
| 24 |
38 |
|
[ADP]C:600 |
16 |
1 |
524 |
◊ |
E |
x,y,z |
1_555 |
22 |
8 |
22222 |
159.9 |
-3.6 |
0.535 |
2 |
0 |
0 |
0.100 |
39 |
|
[ADP]K:600 |
16 |
1 |
523 |
◊ |
M |
x,y,z |
1_555 |
21 |
8 |
22252 |
155.2 |
-3.2 |
0.558 |
2 |
0 |
0 |
0.100 |
| Average: |
157.5 |
-3.4 |
0.546 |
2 |
0 |
0 |
0.100 |
| 25 |
40 |
|
[ADP]I:600 |
13 |
1 |
553 |
◊ |
N |
x,y,z |
1_555 |
17 |
7 |
21989 |
129.9 |
-4.6 |
0.428 |
0 |
0 |
0 |
0.111 |
41 |
|
[ADP]A:600 |
13 |
1 |
554 |
◊ |
F |
x,y,z |
1_555 |
17 |
7 |
21999 |
124.7 |
-4.7 |
0.459 |
0 |
0 |
0 |
0.111 |
| Average: |
127.3 |
-4.6 |
0.443 |
0 |
0 |
0 |
0.111 |
| 26 |
42 |
|
H |
16 |
5 |
7283 |
◊ |
E |
x,y,z |
1_555 |
14 |
4 |
22222 |
122.3 |
0.8 |
0.772 |
1 |
0 |
0 |
0.000 |
| 27 |
43 |
|
K |
11 |
5 |
26041 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
25988 |
114.4 |
-0.3 |
0.617 |
0 |
0 |
0 |
0.000 |
| 28 |
44 |
|
P |
9 |
3 |
7274 |
◊ |
H |
x,y,z-1 |
1_554 |
10 |
4 |
7283 |
69.9 |
1.6 |
0.871 |
0 |
0 |
0 |
0.000 |
| 29 |
45 |
|
P |
8 |
3 |
7274 |
◊ |
G |
-y+1,x-y,z-1 |
2_654 |
9 |
4 |
15495 |
63.9 |
-0.9 |
0.489 |
0 |
0 |
0 |
0.000 |
| 30 |
46 |
|
N |
12 |
4 |
21989 |
◊ |
A |
x,y,z-1 |
1_554 |
7 |
3 |
26818 |
63.8 |
0.9 |
0.587 |
0 |
0 |
0 |
0.000 |
| 31 |
47 |
|
O |
10 |
4 |
15571 |
◊ |
G |
-y+1,x-y,z-1 |
2_654 |
7 |
4 |
15495 |
61.6 |
-1.2 |
0.421 |
0 |
0 |
0 |
0.000 |
| 32 |
48 |
|
J |
4 |
2 |
27314 |
◊ |
D |
-y+1,x-y,z-1 |
2_654 |
8 |
4 |
21332 |
60.2 |
0.4 |
0.700 |
0 |
0 |
0 |
0.000 |
| 33 |
49 |
|
O |
5 |
3 |
15571 |
◊ |
G |
x,y,z-1 |
1_554 |
5 |
3 |
15495 |
56.8 |
-1.8 |
0.143 |
0 |
0 |
0 |
0.000 |
| 34 |
50 |
|
J |
4 |
2 |
27314 |
◊ |
J |
x-y,-y,-z |
5_555 |
4 |
2 |
27314 |
54.2 |
1.4 |
0.925 |
0 |
0 |
0 |
0.000 |
| 35 |
51 |
|
P |
6 |
2 |
7274 |
◊ |
M |
x,y,z |
1_555 |
6 |
4 |
22252 |
50.7 |
0.4 |
0.766 |
0 |
0 |
0 |
0.000 |
| 36 |
52 |
|
P |
4 |
2 |
7274 |
◊ |
K |
x,y,z |
1_555 |
8 |
4 |
26041 |
50.1 |
1.1 |
0.846 |
0 |
0 |
0 |
0.000 |
| 37 |
53 |
|
H |
4 |
2 |
7283 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
25988 |
38.9 |
1.0 |
0.831 |
1 |
0 |
0 |
0.000 |
| 38 |
54 |
|
J |
7 |
2 |
27314 |
◊ |
E |
-x+1,-x+y,-z |
6_655 |
5 |
3 |
22222 |
36.2 |
-0.9 |
0.323 |
0 |
0 |
0 |
0.000 |
| 39 |
55 |
|
M |
5 |
2 |
22252 |
◊ |
M |
x-y,-y,-z |
5_555 |
5 |
2 |
22252 |
31.9 |
-0.9 |
0.264 |
0 |
0 |
0 |
0.000 |
| 40 |
56 |
|
H |
3 |
1 |
7283 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
27251 |
28.4 |
-0.9 |
0.171 |
0 |
0 |
0 |
0.000 |
| 41 |
57 |
|
D |
4 |
1 |
21332 |
◊ |
B |
y,x,-z+1 |
4_556 |
6 |
4 |
27251 |
25.7 |
-0.3 |
0.438 |
0 |
0 |
0 |
0.000 |
| 42 |
58 |
|
L |
1 |
1 |
21375 |
◊ |
K |
x-y,-y,-z |
5_555 |
2 |
1 |
26041 |
10.7 |
0.3 |
0.847 |
0 |
0 |
0 |
0.000 |
| 43 |
59 |
|
O |
1 |
1 |
15571 |
◊ |
H |
-y+1,x-y,z-1 |
2_654 |
1 |
1 |
7283 |
4.7 |
-0.1 |
0.402 |
0 |
0 |
0 |
0.000 |
| 44 |
60 |
|
D |
2 |
2 |
21332 |
◊ |
D |
y,x,-z+1 |
4_556 |
2 |
2 |
21332 |
4.2 |
0.2 |
0.784 |
0 |
0 |
0 |
0.000 |
|