| ## |
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 |
|
L |
72 |
15 |
4093 |
◊ |
K |
x,y,z |
1_555 |
70 |
17 |
4048 |
663.9 |
-5.9 |
0.310 |
10 |
2 |
0 |
1.000 |
2 |
|
T |
68 |
16 |
4020 |
◊ |
P |
x,y,z |
1_555 |
77 |
15 |
4056 |
657.9 |
-5.2 |
0.358 |
11 |
2 |
0 |
1.000 |
3 |
|
N |
77 |
15 |
4042 |
◊ |
M |
x,y,z |
1_555 |
66 |
16 |
4011 |
657.3 |
-5.2 |
0.335 |
11 |
2 |
0 |
1.000 |
4 |
|
B |
75 |
15 |
4082 |
◊ |
A |
x,y,z |
1_555 |
66 |
17 |
4057 |
654.3 |
-5.5 |
0.337 |
10 |
2 |
0 |
1.000 |
5 |
|
D |
68 |
15 |
4090 |
◊ |
C |
x,y,z |
1_555 |
63 |
16 |
4012 |
648.2 |
-5.4 |
0.317 |
12 |
2 |
0 |
1.000 |
6 |
|
I |
71 |
15 |
4076 |
◊ |
H |
x,y,z |
1_555 |
65 |
16 |
4029 |
645.4 |
-5.5 |
0.313 |
10 |
2 |
0 |
1.000 |
7 |
|
J |
63 |
17 |
4089 |
◊ |
F |
x,y,z |
1_555 |
69 |
15 |
4015 |
641.1 |
-5.2 |
0.327 |
13 |
2 |
0 |
1.000 |
8 |
|
O |
63 |
15 |
4073 |
◊ |
K |
x,y,z |
1_555 |
70 |
15 |
4048 |
640.6 |
-5.1 |
0.341 |
10 |
2 |
0 |
1.000 |
9 |
|
S |
69 |
15 |
4077 |
◊ |
R |
x,y,z |
1_555 |
62 |
16 |
4038 |
640.5 |
-5.1 |
0.329 |
11 |
2 |
0 |
1.000 |
10 |
|
G |
72 |
15 |
4069 |
◊ |
F |
x,y,z |
1_555 |
62 |
16 |
4015 |
638.2 |
-5.3 |
0.309 |
10 |
2 |
0 |
1.000 |
11 |
|
E |
65 |
16 |
4076 |
◊ |
A |
x,y,z |
1_555 |
71 |
15 |
4057 |
630.7 |
-5.2 |
0.354 |
12 |
2 |
0 |
1.000 |
12 |
|
R |
69 |
15 |
4038 |
◊ |
Q |
x,y,z |
1_555 |
62 |
15 |
4046 |
630.3 |
-5.6 |
0.288 |
12 |
2 |
0 |
1.000 |
13 |
|
H |
68 |
15 |
4029 |
◊ |
G |
x,y,z |
1_555 |
63 |
15 |
4069 |
621.8 |
-4.7 |
0.366 |
11 |
2 |
0 |
1.000 |
14 |
|
J |
66 |
15 |
4089 |
◊ |
I |
x,y,z |
1_555 |
66 |
16 |
4076 |
619.9 |
-4.9 |
0.390 |
12 |
2 |
0 |
1.000 |
15 |
|
T |
67 |
15 |
4020 |
◊ |
S |
x,y,z |
1_555 |
65 |
17 |
4077 |
618.6 |
-5.2 |
0.365 |
12 |
2 |
0 |
1.000 |
16 |
|
C |
67 |
15 |
4012 |
◊ |
B |
x,y,z |
1_555 |
64 |
17 |
4082 |
617.3 |
-4.8 |
0.372 |
10 |
2 |
0 |
1.000 |
17 |
|
M |
67 |
15 |
4011 |
◊ |
L |
x,y,z |
1_555 |
63 |
16 |
4093 |
616.3 |
-5.0 |
0.375 |
12 |
2 |
0 |
1.000 |
18 |
|
O |
73 |
15 |
4073 |
◊ |
N |
x,y,z |
1_555 |
68 |
17 |
4042 |
614.8 |
-5.3 |
0.339 |
7 |
2 |
0 |
1.000 |
19 |
|
E |
67 |
15 |
4076 |
◊ |
D |
x,y,z |
1_555 |
63 |
15 |
4090 |
613.2 |
-5.0 |
0.375 |
12 |
2 |
0 |
1.000 |
20 |
|
Q |
64 |
15 |
4046 |
◊ |
P |
x,y,z |
1_555 |
62 |
16 |
4056 |
610.4 |
-5.2 |
0.334 |
6 |
2 |
0 |
1.000 |
| Average: |
634.0 |
-5.2 |
0.342 |
11 |
2 |
0 |
1.000 |
| 2 |
21 |
|
P |
35 |
11 |
4056 |
◊ |
A |
x,y,z |
1_555 |
35 |
9 |
4057 |
313.3 |
-0.2 |
0.634 |
2 |
0 |
0 |
0.000 |
22 |
|
N |
30 |
10 |
4042 |
◊ |
F |
x,y,z |
1_555 |
37 |
8 |
4015 |
284.3 |
1.3 |
0.780 |
2 |
0 |
0 |
0.000 |
| Average: |
298.8 |
0.5 |
0.707 |
2 |
0 |
0 |
0.000 |
| 3 |
23 |
|
I |
39 |
11 |
4076 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
4057 |
295.3 |
-1.7 |
0.338 |
2 |
0 |
0 |
0.000 |
| 4 |
24 |
|
M |
28 |
7 |
4011 |
◊ |
I |
x,y,z |
1_555 |
28 |
6 |
4076 |
235.2 |
-1.2 |
0.537 |
2 |
0 |
0 |
0.000 |
25 |
|
T |
32 |
8 |
4020 |
◊ |
D |
x,y,z |
1_555 |
24 |
5 |
4090 |
234.7 |
-1.0 |
0.564 |
2 |
0 |
0 |
0.000 |
26 |
|
S |
22 |
5 |
4077 |
◊ |
E |
x,y,z |
1_555 |
24 |
7 |
4076 |
201.7 |
-0.7 |
0.578 |
2 |
0 |
0 |
0.000 |
27 |
|
L |
25 |
6 |
4093 |
◊ |
J |
x,y,z |
1_555 |
25 |
7 |
4089 |
199.1 |
-0.6 |
0.598 |
2 |
0 |
0 |
0.000 |
| Average: |
217.7 |
-0.9 |
0.569 |
2 |
0 |
0 |
0.000 |
| 5 |
28 |
|
Q |
22 |
9 |
4046 |
◊ |
H |
x,y,z |
1_555 |
28 |
9 |
4029 |
210.0 |
-1.5 |
0.449 |
0 |
0 |
0 |
0.014 |
| 6 |
29 |
|
O |
26 |
8 |
4073 |
◊ |
F |
x,y,z |
1_555 |
24 |
6 |
4015 |
202.2 |
-2.0 |
0.396 |
1 |
0 |
0 |
0.000 |
30 |
|
Q |
19 |
5 |
4046 |
◊ |
A |
x,y,z |
1_555 |
23 |
6 |
4057 |
184.9 |
-2.0 |
0.370 |
0 |
0 |
0 |
0.000 |
31 |
|
N |
21 |
6 |
4042 |
◊ |
G |
x,y,z |
1_555 |
20 |
6 |
4069 |
165.5 |
-1.2 |
0.467 |
0 |
0 |
0 |
0.000 |
| Average: |
184.2 |
-1.7 |
0.411 |
0 |
0 |
0 |
0.000 |
| 7 |
32 |
|
S |
21 |
6 |
4077 |
◊ |
O |
x,y,z-1 |
1_554 |
27 |
9 |
4073 |
188.4 |
-0.0 |
0.639 |
3 |
0 |
0 |
0.013 |
| 8 |
33 |
|
D |
23 |
10 |
4090 |
◊ |
O |
x,y,z-1 |
1_554 |
27 |
10 |
4073 |
173.6 |
-0.1 |
0.594 |
2 |
1 |
0 |
0.011 |
| 9 |
34 |
|
P |
23 |
7 |
4056 |
◊ |
B |
x,y,z |
1_555 |
22 |
6 |
4082 |
166.4 |
-1.2 |
0.481 |
0 |
0 |
0 |
0.000 |
| 10 |
35 |
|
T |
19 |
4 |
4020 |
◊ |
E |
x,y,z |
1_555 |
15 |
3 |
4076 |
136.3 |
-1.2 |
0.482 |
1 |
0 |
0 |
0.000 |
36 |
|
M |
17 |
4 |
4011 |
◊ |
J |
x,y,z |
1_555 |
15 |
3 |
4089 |
130.5 |
-1.0 |
0.504 |
2 |
0 |
0 |
0.000 |
| Average: |
133.4 |
-1.1 |
0.493 |
2 |
0 |
0 |
0.000 |
| 11 |
37 |
|
K |
19 |
8 |
4048 |
x |
K |
-x,y-1/2,-z+2 |
2_547 |
14 |
5 |
4048 |
126.6 |
-1.4 |
0.421 |
1 |
0 |
0 |
0.000 |
| 12 |
38 |
|
B |
18 |
5 |
4082 |
◊ |
E |
-x,y-1/2,-z+1 |
2_546 |
15 |
5 |
4076 |
124.8 |
-0.9 |
0.499 |
1 |
0 |
0 |
0.000 |
39 |
|
P |
11 |
5 |
4056 |
◊ |
R |
-x+1,y-1/2,-z+1 |
2_646 |
15 |
4 |
4038 |
110.6 |
-1.1 |
0.420 |
0 |
0 |
0 |
0.000 |
| Average: |
117.7 |
-1.0 |
0.460 |
1 |
0 |
0 |
0.000 |
| 13 |
40 |
|
J |
16 |
6 |
4089 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
18 |
6 |
4069 |
120.0 |
-0.8 |
0.516 |
0 |
0 |
0 |
0.000 |
41 |
|
K |
16 |
5 |
4048 |
◊ |
N |
-x,y-1/2,-z+2 |
2_547 |
10 |
4 |
4042 |
99.5 |
-1.0 |
0.434 |
0 |
0 |
0 |
0.000 |
| Average: |
109.7 |
-0.9 |
0.475 |
0 |
0 |
0 |
0.000 |
| 14 |
42 |
|
K |
17 |
6 |
4048 |
◊ |
L |
-x,y-1/2,-z+2 |
2_547 |
12 |
4 |
4093 |
118.5 |
-1.1 |
0.424 |
1 |
0 |
0 |
0.000 |
| 15 |
43 |
|
B |
18 |
5 |
4082 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
14 |
4 |
4090 |
117.9 |
-1.2 |
0.434 |
0 |
0 |
0 |
0.000 |
44 |
|
T |
14 |
5 |
4020 |
◊ |
R |
-x+1,y-1/2,-z+1 |
2_646 |
16 |
4 |
4038 |
101.6 |
-1.2 |
0.428 |
1 |
0 |
0 |
0.000 |
45 |
|
K |
14 |
5 |
4048 |
◊ |
M |
-x,y-1/2,-z+2 |
2_547 |
10 |
3 |
4011 |
90.1 |
-0.8 |
0.469 |
0 |
0 |
0 |
0.000 |
| Average: |
103.2 |
-1.1 |
0.444 |
0 |
0 |
0 |
0.000 |
| 16 |
46 |
|
F |
13 |
3 |
4015 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
15 |
4 |
4069 |
114.8 |
-0.9 |
0.474 |
1 |
0 |
0 |
0.000 |
| 17 |
47 |
|
I |
13 |
4 |
4076 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
15 |
4 |
4069 |
102.1 |
-1.0 |
0.459 |
0 |
0 |
0 |
0.000 |
| 18 |
48 |
|
L |
12 |
4 |
4093 |
◊ |
D |
-x,y-1/2,-z+1 |
2_546 |
15 |
7 |
4090 |
100.3 |
0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
| 19 |
49 |
|
S |
12 |
3 |
4077 |
◊ |
R |
-x+1,y-1/2,-z+1 |
2_646 |
11 |
5 |
4038 |
96.4 |
-0.4 |
0.509 |
0 |
0 |
0 |
0.000 |
50 |
|
H |
10 |
3 |
4029 |
◊ |
G |
-x+1,y-1/2,-z+2 |
2_647 |
12 |
5 |
4069 |
88.7 |
-1.0 |
0.415 |
0 |
0 |
0 |
0.000 |
| Average: |
92.5 |
-0.7 |
0.462 |
0 |
0 |
0 |
0.000 |
| 20 |
51 |
|
R |
9 |
3 |
4038 |
x |
R |
-x+1,y-1/2,-z+1 |
2_646 |
17 |
6 |
4038 |
93.4 |
-1.1 |
0.427 |
1 |
0 |
0 |
0.000 |
52 |
|
G |
11 |
4 |
4069 |
x |
G |
-x+1,y-1/2,-z+2 |
2_647 |
14 |
6 |
4069 |
88.2 |
-1.6 |
0.333 |
1 |
0 |
0 |
0.000 |
| Average: |
90.8 |
-1.3 |
0.380 |
1 |
0 |
0 |
0.000 |
| 21 |
53 |
|
B |
8 |
3 |
4082 |
◊ |
E |
x,y-1,z |
1_545 |
16 |
4 |
4076 |
92.7 |
-1.1 |
0.369 |
0 |
0 |
0 |
0.000 |
| 22 |
54 |
|
C |
9 |
5 |
4012 |
◊ |
M |
-x,y-1/2,-z+1 |
2_546 |
10 |
4 |
4011 |
89.5 |
-0.1 |
0.428 |
1 |
0 |
0 |
0.005 |
| 23 |
55 |
|
B |
8 |
2 |
4082 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
11 |
2 |
4057 |
87.3 |
0.0 |
0.594 |
1 |
0 |
0 |
0.000 |
| 24 |
56 |
|
M |
9 |
5 |
4011 |
◊ |
H |
x,y,z |
1_555 |
11 |
5 |
4029 |
84.8 |
0.4 |
0.698 |
1 |
0 |
0 |
0.000 |
57 |
|
T |
7 |
4 |
4020 |
◊ |
C |
x,y,z |
1_555 |
10 |
5 |
4012 |
59.0 |
0.9 |
0.787 |
1 |
0 |
0 |
0.000 |
58 |
|
R |
3 |
3 |
4038 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
4076 |
37.0 |
0.8 |
0.811 |
1 |
0 |
0 |
0.000 |
| Average: |
60.3 |
0.7 |
0.765 |
1 |
0 |
0 |
0.000 |
| 25 |
59 |
|
B |
10 |
4 |
4082 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
4012 |
75.1 |
0.0 |
0.580 |
0 |
0 |
0 |
0.000 |
| 26 |
60 |
|
K |
9 |
2 |
4048 |
◊ |
O |
-x,y-1/2,-z+2 |
2_547 |
8 |
3 |
4073 |
68.3 |
-0.3 |
0.551 |
0 |
0 |
0 |
0.000 |
61 |
|
Q |
8 |
3 |
4046 |
◊ |
R |
-x+1,y-1/2,-z+1 |
2_646 |
8 |
2 |
4038 |
66.9 |
-0.3 |
0.524 |
0 |
0 |
0 |
0.000 |
| Average: |
67.6 |
-0.3 |
0.537 |
0 |
0 |
0 |
0.000 |
| 27 |
62 |
|
K |
7 |
4 |
4048 |
◊ |
J |
x,y,z |
1_555 |
6 |
4 |
4089 |
67.5 |
0.7 |
0.766 |
1 |
0 |
0 |
0.000 |
| 28 |
63 |
|
T |
11 |
4 |
4020 |
◊ |
O |
x,y,z-1 |
1_554 |
8 |
4 |
4073 |
67.1 |
0.0 |
0.505 |
0 |
0 |
0 |
0.000 |
| 29 |
64 |
|
P |
8 |
2 |
4056 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
4076 |
59.2 |
-1.1 |
0.317 |
0 |
0 |
0 |
0.000 |
65 |
|
N |
5 |
2 |
4042 |
◊ |
J |
x,y,z |
1_555 |
5 |
2 |
4089 |
43.9 |
-0.3 |
0.503 |
0 |
0 |
0 |
0.000 |
| Average: |
51.6 |
-0.7 |
0.410 |
0 |
0 |
0 |
0.000 |
| 30 |
66 |
|
B |
9 |
5 |
4082 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
8 |
2 |
4082 |
57.5 |
-0.8 |
0.421 |
0 |
0 |
0 |
0.000 |
| 31 |
67 |
|
C |
4 |
2 |
4012 |
◊ |
L |
-x,y-1/2,-z+1 |
2_546 |
4 |
3 |
4093 |
49.9 |
0.8 |
0.498 |
0 |
0 |
0 |
0.000 |
| 32 |
68 |
|
O |
7 |
2 |
4073 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
4089 |
42.6 |
0.8 |
0.767 |
0 |
0 |
0 |
0.000 |
| 33 |
69 |
|
L |
6 |
2 |
4093 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
4076 |
36.1 |
0.8 |
0.825 |
0 |
0 |
0 |
0.000 |
70 |
|
S |
5 |
1 |
4077 |
◊ |
D |
x,y,z |
1_555 |
4 |
1 |
4090 |
30.1 |
0.8 |
0.852 |
0 |
0 |
0 |
0.000 |
| Average: |
33.1 |
0.8 |
0.839 |
0 |
0 |
0 |
0.000 |
| 34 |
71 |
|
M |
4 |
1 |
4011 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
4069 |
34.3 |
0.0 |
0.396 |
0 |
0 |
0 |
0.000 |
72 |
|
T |
3 |
1 |
4020 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
4082 |
29.5 |
0.1 |
0.342 |
0 |
0 |
0 |
0.000 |
73 |
|
Q |
4 |
1 |
4046 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
4076 |
26.4 |
0.5 |
0.745 |
0 |
0 |
0 |
0.000 |
| Average: |
30.1 |
0.2 |
0.494 |
0 |
0 |
0 |
0.000 |
| 35 |
74 |
|
J |
3 |
1 |
4089 |
◊ |
N |
x,y-1,z |
1_545 |
3 |
2 |
4042 |
28.1 |
-0.6 |
0.326 |
0 |
0 |
0 |
0.000 |
| 36 |
75 |
|
H |
3 |
1 |
4029 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
4057 |
22.8 |
0.3 |
0.707 |
0 |
0 |
0 |
0.000 |
| 37 |
76 |
|
P |
3 |
1 |
4056 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
4012 |
21.8 |
-0.2 |
0.505 |
0 |
0 |
0 |
0.000 |
77 |
|
N |
1 |
1 |
4042 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
4029 |
4.0 |
0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
78 |
|
R |
1 |
1 |
4038 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
4057 |
1.7 |
-0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
| Average: |
9.2 |
-0.1 |
0.570 |
0 |
0 |
0 |
0.000 |
| 38 |
79 |
|
T |
4 |
2 |
4020 |
◊ |
R |
x,y-1,z |
1_545 |
2 |
1 |
4038 |
12.7 |
0.1 |
0.648 |
0 |
0 |
0 |
0.000 |
80 |
|
I |
3 |
2 |
4076 |
◊ |
G |
x,y-1,z |
1_545 |
1 |
1 |
4069 |
4.7 |
0.1 |
0.693 |
0 |
0 |
0 |
0.000 |
| Average: |
8.7 |
0.1 |
0.670 |
0 |
0 |
0 |
0.000 |
| 39 |
81 |
|
P |
4 |
2 |
4056 |
◊ |
R |
x,y-1,z |
1_545 |
2 |
2 |
4038 |
7.5 |
-0.2 |
0.483 |
0 |
0 |
0 |
0.000 |
82 |
|
J |
1 |
1 |
4089 |
◊ |
G |
x,y-1,z |
1_545 |
1 |
1 |
4069 |
0.2 |
-0.0 |
0.619 |
0 |
0 |
0 |
0.000 |
| Average: |
3.8 |
-0.1 |
0.551 |
0 |
0 |
0 |
0.000 |
| 40 |
83 |
|
C |
1 |
1 |
4012 |
◊ |
E |
x,y-1,z |
1_545 |
2 |
2 |
4076 |
6.4 |
0.3 |
0.794 |
0 |
0 |
0 |
0.000 |
| 41 |
84 |
|
S |
3 |
2 |
4077 |
◊ |
F |
x,y,z-1 |
1_554 |
3 |
2 |
4015 |
5.4 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
| 42 |
85 |
|
T |
1 |
1 |
4020 |
◊ |
S |
x,y-1,z |
1_545 |
1 |
1 |
4077 |
4.6 |
0.2 |
0.787 |
0 |
0 |
0 |
0.000 |
86 |
|
I |
1 |
1 |
4076 |
◊ |
H |
x,y-1,z |
1_545 |
1 |
1 |
4029 |
1.1 |
0.1 |
0.701 |
0 |
0 |
0 |
0.000 |
| Average: |
2.9 |
0.1 |
0.744 |
0 |
0 |
0 |
0.000 |
| 43 |
87 |
|
B |
2 |
1 |
4082 |
◊ |
D |
x,y-1,z |
1_545 |
1 |
1 |
4090 |
4.2 |
0.1 |
0.734 |
0 |
0 |
0 |
0.000 |
|