| ## |
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 |
|
H |
489 |
132 |
19148 |
◊ |
E |
x,y,z |
1_555 |
487 |
131 |
19143 |
4619.0 |
-53.7 |
0.011 |
85 |
20 |
1 |
0.778 |
2 |
|
L |
483 |
131 |
19148 |
◊ |
B |
x,y,z |
1_555 |
490 |
133 |
19153 |
4617.7 |
-53.8 |
0.011 |
85 |
20 |
1 |
0.778 |
3 |
|
O |
480 |
131 |
19156 |
◊ |
K |
x,y,z |
1_555 |
482 |
134 |
19146 |
4612.9 |
-53.7 |
0.010 |
85 |
19 |
1 |
0.778 |
4 |
|
V |
484 |
130 |
19148 |
◊ |
R |
x,y,z |
1_555 |
479 |
131 |
19153 |
4582.9 |
-52.9 |
0.012 |
85 |
19 |
1 |
0.778 |
| Average: |
4608.1 |
-53.5 |
0.011 |
85 |
20 |
1 |
0.778 |
| 2 |
5 |
|
M |
191 |
41 |
8673 |
◊ |
K |
x,y,z |
1_555 |
214 |
52 |
19146 |
1820.2 |
-9.8 |
0.588 |
21 |
6 |
0 |
0.649 |
6 |
|
F |
190 |
42 |
8662 |
◊ |
E |
x,y,z |
1_555 |
216 |
52 |
19143 |
1819.2 |
-9.7 |
0.586 |
21 |
6 |
0 |
0.649 |
7 |
|
T |
189 |
42 |
8673 |
◊ |
R |
x,y,z |
1_555 |
213 |
52 |
19153 |
1819.2 |
-9.7 |
0.592 |
21 |
6 |
0 |
0.649 |
8 |
|
S |
190 |
41 |
8668 |
◊ |
L |
x,y,z |
1_555 |
212 |
53 |
19148 |
1818.9 |
-9.7 |
0.589 |
18 |
6 |
0 |
0.649 |
9 |
|
I |
191 |
42 |
8662 |
◊ |
H |
x,y,z |
1_555 |
216 |
53 |
19148 |
1817.7 |
-9.6 |
0.589 |
21 |
6 |
0 |
0.649 |
10 |
|
C |
191 |
42 |
8656 |
◊ |
B |
x,y,z |
1_555 |
214 |
53 |
19153 |
1816.8 |
-9.7 |
0.591 |
21 |
6 |
0 |
0.649 |
11 |
|
W |
189 |
40 |
8656 |
◊ |
V |
x,y,z |
1_555 |
216 |
53 |
19148 |
1814.4 |
-9.8 |
0.579 |
18 |
6 |
0 |
0.649 |
12 |
|
P |
191 |
42 |
8647 |
◊ |
O |
x,y,z |
1_555 |
216 |
53 |
19156 |
1812.7 |
-9.7 |
0.585 |
21 |
6 |
0 |
0.649 |
| Average: |
1817.4 |
-9.7 |
0.587 |
20 |
6 |
0 |
0.649 |
| 3 |
13 |
|
P |
98 |
28 |
8647 |
◊ |
V |
x,y,z |
1_555 |
102 |
29 |
19148 |
878.6 |
-2.0 |
0.737 |
12 |
6 |
0 |
0.180 |
14 |
|
W |
96 |
26 |
8656 |
◊ |
B |
x,y,z |
1_555 |
102 |
29 |
19153 |
867.4 |
-2.2 |
0.713 |
13 |
5 |
0 |
0.180 |
15 |
|
F |
95 |
27 |
8662 |
◊ |
L |
x,y,z |
1_555 |
102 |
29 |
19148 |
867.2 |
-2.1 |
0.717 |
13 |
5 |
0 |
0.180 |
16 |
|
C |
94 |
26 |
8656 |
◊ |
H |
x,y,z |
1_555 |
100 |
29 |
19148 |
865.2 |
-2.0 |
0.721 |
13 |
5 |
0 |
0.180 |
17 |
|
I |
95 |
26 |
8662 |
◊ |
O |
x,y,z |
1_555 |
101 |
29 |
19156 |
862.1 |
-2.0 |
0.726 |
13 |
5 |
0 |
0.180 |
18 |
|
M |
95 |
26 |
8673 |
◊ |
E |
x,y,z |
1_555 |
103 |
29 |
19143 |
861.1 |
-2.1 |
0.719 |
13 |
5 |
0 |
0.180 |
19 |
|
T |
96 |
26 |
8673 |
◊ |
K |
x,y,z |
1_555 |
102 |
29 |
19146 |
859.5 |
-2.0 |
0.730 |
13 |
5 |
0 |
0.180 |
20 |
|
S |
94 |
26 |
8668 |
◊ |
R |
x,y,z |
1_555 |
102 |
29 |
19153 |
858.4 |
-2.1 |
0.714 |
13 |
5 |
0 |
0.180 |
| Average: |
865.0 |
-2.1 |
0.722 |
13 |
5 |
0 |
0.180 |
| 4 |
21 |
|
V |
56 |
18 |
19148 |
◊ |
B |
x,y,z |
1_555 |
48 |
15 |
19153 |
488.6 |
1.1 |
0.750 |
4 |
5 |
0 |
0.032 |
22 |
|
R |
56 |
18 |
19153 |
◊ |
K |
x,y,z |
1_555 |
47 |
14 |
19146 |
488.0 |
1.2 |
0.749 |
4 |
5 |
0 |
0.032 |
23 |
|
L |
49 |
15 |
19148 |
◊ |
E |
x,y,z |
1_555 |
58 |
18 |
19143 |
485.9 |
1.1 |
0.754 |
4 |
6 |
0 |
0.032 |
24 |
|
K |
56 |
18 |
19146 |
◊ |
E |
x,y,z |
1_555 |
46 |
14 |
19143 |
485.1 |
1.1 |
0.741 |
4 |
5 |
0 |
0.032 |
25 |
|
V |
49 |
15 |
19148 |
◊ |
O |
x,y,z |
1_555 |
56 |
18 |
19156 |
484.6 |
1.1 |
0.757 |
4 |
6 |
0 |
0.032 |
26 |
|
O |
47 |
14 |
19156 |
◊ |
H |
x,y,z |
1_555 |
55 |
18 |
19148 |
484.3 |
1.2 |
0.755 |
4 |
5 |
0 |
0.032 |
27 |
|
R |
46 |
14 |
19153 |
◊ |
L |
x,y,z |
1_555 |
56 |
18 |
19148 |
481.9 |
1.2 |
0.741 |
5 |
5 |
0 |
0.032 |
28 |
|
H |
47 |
14 |
19148 |
◊ |
B |
x,y,z |
1_555 |
54 |
18 |
19153 |
479.8 |
1.2 |
0.750 |
4 |
5 |
0 |
0.032 |
| Average: |
484.8 |
1.1 |
0.750 |
4 |
5 |
0 |
0.032 |
| 5 |
29 |
|
R |
47 |
14 |
19153 |
◊ |
O |
x,y,z |
1_555 |
46 |
14 |
19156 |
470.7 |
-2.1 |
0.557 |
8 |
2 |
0 |
0.073 |
30 |
|
V |
47 |
14 |
19148 |
◊ |
L |
x,y,z |
1_555 |
47 |
14 |
19148 |
467.7 |
-2.0 |
0.564 |
8 |
2 |
0 |
0.073 |
31 |
|
E |
46 |
14 |
19143 |
◊ |
B |
x,y,z |
1_555 |
46 |
14 |
19153 |
464.2 |
-2.1 |
0.547 |
8 |
2 |
0 |
0.073 |
32 |
|
K |
47 |
14 |
19146 |
◊ |
H |
x,y,z |
1_555 |
46 |
14 |
19148 |
463.9 |
-2.0 |
0.563 |
8 |
2 |
0 |
0.073 |
| Average: |
466.6 |
-2.1 |
0.558 |
8 |
2 |
0 |
0.073 |
| 6 |
33 |
|
P |
45 |
12 |
8647 |
◊ |
R |
x,y,z |
1_555 |
52 |
12 |
19153 |
457.2 |
-6.8 |
0.171 |
3 |
0 |
0 |
0.198 |
34 |
|
C |
46 |
11 |
8656 |
◊ |
E |
x,y,z |
1_555 |
51 |
12 |
19143 |
449.2 |
-6.6 |
0.184 |
3 |
0 |
0 |
0.198 |
35 |
|
W |
45 |
11 |
8656 |
◊ |
L |
x,y,z |
1_555 |
51 |
12 |
19148 |
447.6 |
-6.7 |
0.170 |
3 |
0 |
0 |
0.198 |
36 |
|
F |
46 |
12 |
8662 |
◊ |
B |
x,y,z |
1_555 |
51 |
12 |
19153 |
446.0 |
-6.7 |
0.180 |
3 |
0 |
0 |
0.198 |
37 |
|
M |
45 |
11 |
8673 |
◊ |
H |
x,y,z |
1_555 |
51 |
12 |
19148 |
438.5 |
-6.6 |
0.186 |
3 |
0 |
0 |
0.198 |
38 |
|
T |
42 |
11 |
8673 |
◊ |
O |
x,y,z |
1_555 |
52 |
12 |
19156 |
438.5 |
-6.5 |
0.180 |
3 |
0 |
0 |
0.198 |
39 |
|
I |
43 |
11 |
8662 |
◊ |
K |
x,y,z |
1_555 |
50 |
11 |
19146 |
436.6 |
-6.5 |
0.177 |
3 |
0 |
0 |
0.198 |
40 |
|
S |
44 |
11 |
8668 |
◊ |
V |
x,y,z |
1_555 |
51 |
12 |
19148 |
436.4 |
-6.5 |
0.187 |
3 |
0 |
0 |
0.198 |
| Average: |
443.7 |
-6.6 |
0.179 |
3 |
0 |
0 |
0.198 |
| 7 |
41 |
|
E |
36 |
12 |
19143 |
◊ |
R |
-x-1/2,y-1/2,-z |
3_445 |
39 |
11 |
19153 |
349.0 |
-0.8 |
0.627 |
3 |
2 |
0 |
0.000 |
42 |
|
L |
38 |
11 |
19148 |
◊ |
K |
x-1/2,-y+1/2,-z |
4_455 |
41 |
11 |
19146 |
346.4 |
-1.1 |
0.619 |
3 |
3 |
0 |
0.000 |
| Average: |
347.7 |
-0.9 |
0.623 |
3 |
3 |
0 |
0.000 |
| 8 |
43 |
|
W |
40 |
14 |
8656 |
◊ |
C |
x,y,z |
1_555 |
29 |
9 |
8656 |
339.7 |
-7.0 |
0.047 |
1 |
0 |
0 |
0.153 |
44 |
|
T |
28 |
8 |
8673 |
◊ |
S |
x,y,z |
1_555 |
39 |
14 |
8668 |
336.7 |
-7.0 |
0.045 |
1 |
0 |
0 |
0.153 |
45 |
|
M |
39 |
14 |
8673 |
◊ |
F |
x,y,z |
1_555 |
28 |
8 |
8662 |
333.5 |
-6.8 |
0.048 |
1 |
0 |
0 |
0.153 |
46 |
|
S |
29 |
9 |
8668 |
◊ |
F |
x,y,z |
1_555 |
39 |
14 |
8662 |
332.2 |
-6.8 |
0.054 |
1 |
0 |
0 |
0.153 |
47 |
|
T |
40 |
14 |
8673 |
◊ |
M |
x,y,z |
1_555 |
28 |
8 |
8673 |
330.8 |
-6.9 |
0.048 |
1 |
0 |
0 |
0.153 |
48 |
|
P |
27 |
8 |
8647 |
◊ |
I |
x,y,z |
1_555 |
40 |
14 |
8662 |
330.7 |
-6.9 |
0.043 |
0 |
0 |
0 |
0.153 |
49 |
|
I |
28 |
8 |
8662 |
◊ |
C |
x,y,z |
1_555 |
40 |
14 |
8656 |
330.4 |
-6.9 |
0.046 |
0 |
0 |
0 |
0.153 |
50 |
|
W |
27 |
8 |
8656 |
◊ |
P |
x,y,z |
1_555 |
40 |
14 |
8647 |
329.8 |
-6.7 |
0.046 |
0 |
0 |
0 |
0.153 |
| Average: |
333.0 |
-6.9 |
0.047 |
1 |
0 |
0 |
0.153 |
| 9 |
51 |
|
[RUB]V:476 |
18 |
1 |
470 |
f |
V |
x,y,z |
1_555 |
48 |
22 |
19148 |
301.2 |
-5.1 |
0.640 |
13 |
0 |
0 |
0.367 |
52 |
|
[RUB]O:476 |
18 |
1 |
471 |
f |
O |
x,y,z |
1_555 |
50 |
23 |
19156 |
299.4 |
-5.1 |
0.645 |
13 |
0 |
0 |
0.367 |
53 |
|
[RUB]E:476 |
18 |
1 |
470 |
f |
E |
x,y,z |
1_555 |
48 |
22 |
19143 |
298.4 |
-5.0 |
0.642 |
13 |
0 |
0 |
0.367 |
54 |
|
[RUB]L:476 |
18 |
1 |
470 |
f |
L |
x,y,z |
1_555 |
48 |
22 |
19148 |
298.3 |
-4.9 |
0.650 |
13 |
0 |
0 |
0.367 |
55 |
|
[RUB]H:476 |
18 |
1 |
472 |
f |
H |
x,y,z |
1_555 |
49 |
23 |
19148 |
298.3 |
-5.1 |
0.644 |
13 |
0 |
0 |
0.367 |
56 |
|
[RUB]B:476 |
18 |
1 |
471 |
f |
B |
x,y,z |
1_555 |
48 |
22 |
19153 |
297.4 |
-5.1 |
0.635 |
13 |
0 |
0 |
0.367 |
57 |
|
[RUB]R:476 |
18 |
1 |
471 |
f |
R |
x,y,z |
1_555 |
49 |
23 |
19153 |
297.1 |
-5.1 |
0.641 |
13 |
0 |
0 |
0.367 |
58 |
|
[RUB]K:476 |
18 |
1 |
466 |
f |
K |
x,y,z |
1_555 |
49 |
23 |
19146 |
295.8 |
-5.2 |
0.631 |
13 |
0 |
0 |
0.367 |
| Average: |
298.2 |
-5.1 |
0.641 |
13 |
0 |
0 |
0.367 |
| 10 |
59 |
|
E |
23 |
7 |
19143 |
◊ |
V |
-x-1/2,y-1/2,-z |
3_445 |
23 |
9 |
19148 |
195.5 |
-3.1 |
0.238 |
0 |
0 |
0 |
0.000 |
60 |
|
L |
18 |
6 |
19148 |
◊ |
O |
x-1/2,-y+1/2,-z |
4_455 |
17 |
5 |
19156 |
153.5 |
-2.7 |
0.217 |
0 |
0 |
0 |
0.000 |
| Average: |
174.5 |
-2.9 |
0.228 |
0 |
0 |
0 |
0.000 |
| 11 |
61 |
|
H |
20 |
6 |
19148 |
◊ |
V |
-x-1/2,y-1/2,-z+1 |
3_446 |
24 |
6 |
19148 |
177.5 |
-0.3 |
0.611 |
1 |
1 |
0 |
0.000 |
| 12 |
62 |
|
L |
20 |
7 |
19148 |
◊ |
O |
x-1/2,-y+1/2,-z+1 |
4_456 |
15 |
5 |
19156 |
153.4 |
-1.9 |
0.341 |
0 |
0 |
0 |
0.000 |
| 13 |
63 |
|
E |
10 |
3 |
19143 |
◊ |
V |
-x-1/2,y-1/2,-z+1 |
3_446 |
11 |
3 |
19148 |
98.7 |
0.2 |
0.467 |
1 |
0 |
0 |
0.000 |
| 14 |
64 |
|
[RUB]L:476 |
13 |
1 |
470 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
19153 |
97.4 |
-2.4 |
0.713 |
2 |
0 |
0 |
0.052 |
65 |
|
[RUB]H:476 |
13 |
1 |
472 |
◊ |
E |
x,y,z |
1_555 |
10 |
4 |
19143 |
97.4 |
-2.4 |
0.714 |
2 |
0 |
0 |
0.052 |
66 |
|
[RUB]E:476 |
13 |
1 |
470 |
◊ |
H |
x,y,z |
1_555 |
10 |
4 |
19148 |
97.1 |
-2.4 |
0.715 |
2 |
0 |
0 |
0.052 |
67 |
|
[RUB]R:476 |
13 |
1 |
471 |
◊ |
V |
x,y,z |
1_555 |
10 |
4 |
19148 |
97.1 |
-2.4 |
0.713 |
2 |
0 |
0 |
0.052 |
68 |
|
[RUB]B:476 |
13 |
1 |
471 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
19148 |
97.0 |
-2.3 |
0.716 |
2 |
0 |
0 |
0.052 |
69 |
|
[RUB]K:476 |
13 |
1 |
466 |
◊ |
O |
x,y,z |
1_555 |
10 |
4 |
19156 |
96.4 |
-2.4 |
0.712 |
2 |
0 |
0 |
0.052 |
70 |
|
[RUB]O:476 |
13 |
1 |
471 |
◊ |
K |
x,y,z |
1_555 |
10 |
4 |
19146 |
95.5 |
-2.3 |
0.714 |
2 |
0 |
0 |
0.052 |
71 |
|
[RUB]V:476 |
13 |
1 |
470 |
◊ |
R |
x,y,z |
1_555 |
10 |
4 |
19153 |
93.8 |
-2.2 |
0.725 |
2 |
0 |
0 |
0.052 |
| Average: |
96.5 |
-2.4 |
0.715 |
2 |
0 |
0 |
0.052 |
| 15 |
72 |
|
B |
6 |
3 |
19153 |
◊ |
O |
x-1/2,-y+1/2,-z+1 |
4_456 |
5 |
1 |
19156 |
48.3 |
0.8 |
0.820 |
1 |
0 |
0 |
0.000 |
| 16 |
73 |
|
H |
5 |
1 |
19148 |
◊ |
R |
-x-1/2,y-1/2,-z+1 |
3_446 |
6 |
2 |
19153 |
47.1 |
-0.6 |
0.417 |
0 |
0 |
0 |
0.000 |
| 17 |
74 |
|
F |
3 |
1 |
8662 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
8656 |
16.7 |
-0.5 |
0.260 |
0 |
0 |
0 |
0.000 |
| 18 |
75 |
|
S |
2 |
1 |
8668 |
◊ |
W |
x,y,z-1 |
1_554 |
2 |
2 |
8656 |
15.5 |
-0.5 |
0.309 |
0 |
0 |
0 |
0.000 |
| 19 |
76 |
|
E |
1 |
1 |
19143 |
◊ |
R |
-x-1/2,y-1/2,-z+1 |
3_446 |
1 |
1 |
19153 |
1.6 |
0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
|