| ## |
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 |
123 |
25 |
7224 |
◊ |
B |
x,y,z |
1_555 |
130 |
26 |
8945 |
1115.7 |
-7.9 |
0.492 |
12 |
4 |
0 |
0.928 |
| 2 |
2 |
|
C |
118 |
25 |
8772 |
◊ |
A |
x,y,z |
1_555 |
122 |
26 |
8662 |
1066.4 |
-11.5 |
0.271 |
7 |
3 |
1 |
0.826 |
| 3 |
3 |
|
B |
50 |
19 |
8945 |
◊ |
A |
x-y,-y+1,-z+2/3 |
5_565 |
58 |
17 |
8662 |
436.1 |
-2.0 |
0.554 |
3 |
1 |
0 |
0.000 |
| 4 |
4 |
|
C |
42 |
14 |
8772 |
◊ |
C |
-x,-x+y,-z+4/3 |
6_556 |
42 |
14 |
8772 |
393.0 |
0.9 |
0.777 |
6 |
0 |
0 |
0.000 |
| 5 |
5 |
|
C |
36 |
12 |
8772 |
◊ |
A |
y-1,x,-z+1 |
4_456 |
46 |
20 |
8662 |
372.9 |
-4.7 |
0.290 |
5 |
0 |
0 |
0.000 |
| 6 |
6 |
|
C |
36 |
9 |
8772 |
◊ |
B |
x,y,z |
1_555 |
31 |
9 |
8945 |
310.4 |
-0.0 |
0.561 |
6 |
3 |
0 |
0.000 |
| 7 |
7 |
|
B |
28 |
8 |
8945 |
◊ |
A |
x,y,z |
1_555 |
33 |
9 |
8662 |
280.3 |
0.5 |
0.719 |
1 |
4 |
0 |
0.000 |
| 8 |
8 |
|
B |
34 |
10 |
8945 |
◊ |
A |
y-1,x,-z+1 |
4_456 |
26 |
8 |
8662 |
278.1 |
-1.0 |
0.394 |
3 |
0 |
0 |
0.000 |
| 9 |
9 |
|
D |
32 |
8 |
7224 |
◊ |
A |
x,y,z |
1_555 |
28 |
7 |
8662 |
274.5 |
-1.3 |
0.513 |
6 |
5 |
0 |
0.000 |
| 10 |
10 |
|
D |
17 |
8 |
7224 |
◊ |
D |
x-y,-y,-z+2/3 |
5_555 |
17 |
8 |
7224 |
181.8 |
-2.3 |
0.417 |
4 |
4 |
0 |
0.000 |
| 11 |
11 |
|
B |
18 |
5 |
8945 |
◊ |
C |
y-1,x,-z+1 |
4_456 |
19 |
6 |
8772 |
163.2 |
-1.7 |
0.408 |
0 |
0 |
0 |
0.000 |
| 12 |
12 |
|
C |
13 |
4 |
8772 |
◊ |
C |
y,x,-z+1 |
4_556 |
13 |
4 |
8772 |
114.0 |
-0.3 |
0.608 |
0 |
0 |
0 |
0.000 |
| 13 |
13 |
|
C |
11 |
2 |
8772 |
◊ |
B |
-y,x-y+1,z+1/3 |
2_565 |
11 |
5 |
8945 |
99.4 |
-0.9 |
0.447 |
1 |
0 |
0 |
0.000 |
| 14 |
14 |
|
[IOD]C:165 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
19 |
7 |
8772 |
92.1 |
-0.4 |
0.695 |
0 |
0 |
0 |
0.074 |
15 |
|
[IOD]B:165 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
8945 |
89.5 |
-0.3 |
0.695 |
0 |
0 |
0 |
0.074 |
16 |
|
[IOD]A:166 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
8662 |
88.2 |
-0.4 |
0.670 |
0 |
0 |
0 |
0.074 |
| Average: |
89.9 |
-0.4 |
0.687 |
0 |
0 |
0 |
0.074 |
| 15 |
17 |
|
[IOD]D:165 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
16 |
7 |
7224 |
91.8 |
-0.4 |
0.724 |
0 |
0 |
0 |
0.055 |
| 16 |
18 |
|
[IOD]A:168 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
8662 |
90.9 |
0.1 |
0.787 |
0 |
0 |
0 |
0.010 |
19 |
|
[IOD]C:167 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
18 |
5 |
8772 |
83.5 |
-0.3 |
0.714 |
0 |
0 |
0 |
0.010 |
| Average: |
87.2 |
-0.1 |
0.751 |
0 |
0 |
0 |
0.010 |
| 17 |
20 |
|
[IOD]C:174 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
8772 |
90.4 |
-0.2 |
0.720 |
0 |
0 |
0 |
0.055 |
21 |
|
[IOD]B:167 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
8945 |
85.7 |
-0.4 |
0.655 |
0 |
0 |
0 |
0.055 |
22 |
|
[IOD]A:170 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
8662 |
78.4 |
0.1 |
0.773 |
0 |
0 |
0 |
0.055 |
| Average: |
84.8 |
-0.2 |
0.716 |
0 |
0 |
0 |
0.055 |
| 18 |
23 |
|
[IOD]A:164 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
8662 |
87.8 |
-0.2 |
0.708 |
0 |
0 |
0 |
0.034 |
24 |
|
[IOD]C:164 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
8772 |
84.1 |
-0.2 |
0.712 |
0 |
0 |
0 |
0.034 |
25 |
|
[IOD]B:164 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
8945 |
82.7 |
-0.0 |
0.718 |
0 |
0 |
0 |
0.034 |
| Average: |
84.9 |
-0.1 |
0.712 |
0 |
0 |
0 |
0.034 |
| 19 |
26 |
|
[IOD]D:167 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
10 |
5 |
7224 |
85.0 |
-0.6 |
0.620 |
0 |
0 |
0 |
0.073 |
| 20 |
27 |
|
[IOD]A:167 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
8662 |
82.5 |
-0.6 |
0.589 |
0 |
0 |
0 |
0.126 |
28 |
|
[IOD]B:166 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
8945 |
81.5 |
-0.5 |
0.620 |
0 |
0 |
0 |
0.126 |
29 |
|
[IOD]C:168 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
8772 |
81.2 |
-0.5 |
0.617 |
0 |
0 |
0 |
0.126 |
| Average: |
81.7 |
-0.6 |
0.608 |
0 |
0 |
0 |
0.126 |
| 21 |
30 |
|
[IOD]B:169 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
8945 |
81.8 |
0.5 |
0.847 |
0 |
0 |
0 |
0.005 |
31 |
|
[IOD]A:171 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
8662 |
80.6 |
0.3 |
0.823 |
0 |
0 |
0 |
0.005 |
32 |
|
[IOD]C:172 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
8772 |
76.0 |
-0.2 |
0.732 |
0 |
0 |
0 |
0.005 |
| Average: |
79.5 |
0.2 |
0.801 |
0 |
0 |
0 |
0.005 |
| 22 |
33 |
|
[IOD]D:166 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
7224 |
80.6 |
0.3 |
0.853 |
0 |
0 |
0 |
0.000 |
| 23 |
34 |
|
[IOD]A:169 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
11 |
4 |
8772 |
79.8 |
-0.1 |
0.743 |
0 |
0 |
0 |
0.013 |
35 |
|
[IOD]C:173 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
12 |
5 |
8662 |
77.0 |
-0.2 |
0.697 |
0 |
0 |
0 |
0.013 |
| Average: |
78.4 |
-0.2 |
0.720 |
0 |
0 |
0 |
0.013 |
| 24 |
36 |
|
[IOD]A:173 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
14 |
7 |
8662 |
79.4 |
0.7 |
0.873 |
0 |
0 |
0 |
0.000 |
37 |
|
[IOD]B:168 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
8945 |
74.1 |
0.3 |
0.807 |
0 |
0 |
0 |
0.000 |
| Average: |
76.8 |
0.5 |
0.840 |
0 |
0 |
0 |
0.000 |
| 25 |
38 |
|
[IOD]D:164 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
7224 |
78.0 |
-0.3 |
0.749 |
0 |
0 |
0 |
0.017 |
| 26 |
39 |
|
[IOD]A:172 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
9 |
6 |
8662 |
74.7 |
0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
40 |
|
[IOD]C:166 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
8772 |
74.3 |
0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| Average: |
74.5 |
0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 27 |
41 |
|
[IOD]D:168 |
1 |
1 |
144 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
7224 |
72.6 |
-0.0 |
0.785 |
0 |
0 |
0 |
0.003 |
| 28 |
42 |
|
[IOD]C:175 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
8772 |
69.4 |
-0.3 |
0.691 |
0 |
0 |
0 |
0.035 |
43 |
|
B |
12 |
4 |
8945 |
f |
[IOD]A:165 |
y-1,x,-z+1 |
4_456 |
1 |
1 |
144 |
58.6 |
-0.3 |
0.706 |
0 |
0 |
0 |
0.035 |
| Average: |
64.0 |
-0.3 |
0.699 |
0 |
0 |
0 |
0.035 |
| 29 |
44 |
|
[IOD]C:176 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
8772 |
66.3 |
-0.2 |
0.703 |
0 |
0 |
0 |
0.010 |
| 30 |
45 |
|
[IOD]C:171 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
8772 |
62.4 |
-0.0 |
0.759 |
0 |
0 |
0 |
0.000 |
| 31 |
46 |
|
D |
8 |
3 |
7224 |
◊ |
B |
x-y,-y,-z+2/3 |
5_555 |
6 |
2 |
8945 |
57.1 |
-1.5 |
0.254 |
0 |
0 |
0 |
0.000 |
| 32 |
47 |
|
[IOD]C:169 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
8772 |
55.8 |
-0.3 |
0.648 |
0 |
0 |
0 |
0.015 |
| 33 |
48 |
|
[IOD]B:170 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
8945 |
53.3 |
-0.2 |
0.655 |
0 |
0 |
0 |
0.000 |
| 34 |
49 |
|
[IOD]A:165 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
8662 |
53.0 |
-0.2 |
0.703 |
0 |
0 |
0 |
0.000 |
| 35 |
50 |
|
C |
9 |
4 |
8772 |
f |
[IOD]B:170 |
-y,x-y+1,z+1/3 |
2_565 |
1 |
1 |
144 |
50.6 |
-0.3 |
0.672 |
0 |
0 |
0 |
0.014 |
| 36 |
51 |
|
[IOD]C:170 |
1 |
1 |
144 |
◊ |
C |
-x,-x+y,-z+4/3 |
6_556 |
13 |
6 |
8772 |
49.8 |
0.2 |
0.825 |
0 |
0 |
0 |
0.000 |
| 37 |
52 |
|
[IOD]C:169 |
1 |
1 |
144 |
◊ |
C |
-x,-x+y,-z+4/3 |
6_556 |
3 |
1 |
8772 |
40.6 |
0.0 |
0.736 |
0 |
0 |
0 |
0.000 |
53 |
|
[IOD]C:176 |
1 |
1 |
144 |
◊ |
A |
y-1,x,-z+1 |
4_456 |
5 |
2 |
8662 |
24.5 |
-0.0 |
0.766 |
0 |
0 |
0 |
0.000 |
| Average: |
32.5 |
-0.0 |
0.751 |
0 |
0 |
0 |
0.000 |
| 38 |
54 |
|
[IOD]C:172 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
8662 |
39.7 |
0.3 |
0.875 |
0 |
0 |
0 |
0.000 |
55 |
|
[IOD]A:171 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
8772 |
32.2 |
-0.0 |
0.738 |
0 |
0 |
0 |
0.000 |
56 |
|
[IOD]D:166 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
8945 |
22.1 |
0.2 |
0.875 |
0 |
0 |
0 |
0.000 |
| Average: |
31.3 |
0.2 |
0.830 |
0 |
0 |
0 |
0.000 |
| 39 |
57 |
|
[IOD]C:173 |
1 |
1 |
144 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
8772 |
37.7 |
-0.1 |
0.643 |
0 |
0 |
0 |
0.064 |
58 |
|
[IOD]A:169 |
1 |
1 |
144 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
8662 |
31.2 |
-0.3 |
0.525 |
0 |
0 |
0 |
0.064 |
59 |
|
[IOD]D:164 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
4 |
1 |
8945 |
29.1 |
-0.3 |
0.553 |
0 |
0 |
0 |
0.064 |
| Average: |
32.7 |
-0.2 |
0.574 |
0 |
0 |
0 |
0.064 |
| 40 |
60 |
|
[IOD]C:170 |
1 |
1 |
144 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
8772 |
36.7 |
0.0 |
0.783 |
0 |
0 |
0 |
0.000 |
| 41 |
61 |
|
[IOD]C:171 |
1 |
1 |
144 |
f |
C |
-x,-x+y,-z+4/3 |
6_556 |
4 |
2 |
8772 |
36.1 |
-0.2 |
0.662 |
0 |
0 |
0 |
0.007 |
| 42 |
62 |
|
B |
5 |
2 |
8945 |
f |
[IOD]C:170 |
y-1,x,-z+1 |
4_456 |
1 |
1 |
144 |
35.9 |
-0.1 |
0.716 |
0 |
0 |
0 |
0.008 |
| 43 |
63 |
|
[IOD]B:168 |
1 |
1 |
144 |
f |
A |
x-y,-y+1,-z+2/3 |
5_565 |
4 |
1 |
8662 |
30.9 |
0.1 |
0.833 |
0 |
0 |
0 |
0.000 |
| 44 |
64 |
|
[IOD]B:170 |
1 |
1 |
144 |
◊ |
A |
x-y,-y+1,-z+2/3 |
5_565 |
4 |
1 |
8662 |
24.9 |
0.4 |
0.902 |
0 |
0 |
0 |
0.000 |
| 45 |
65 |
|
[IOD]C:171 |
1 |
1 |
144 |
◊ |
[IOD]C:170 |
x,y,z |
1_555 |
1 |
1 |
144 |
21.0 |
0.1 |
1.000 |
0 |
0 |
0 |
0.000 |
| 46 |
66 |
|
[IOD]B:169 |
1 |
1 |
144 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
7224 |
18.0 |
0.6 |
0.966 |
0 |
0 |
0 |
0.000 |
| 47 |
67 |
|
[IOD]D:164 |
1 |
1 |
144 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
8662 |
16.9 |
-0.3 |
0.361 |
0 |
0 |
0 |
0.000 |
68 |
|
[IOD]A:169 |
1 |
1 |
144 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
8945 |
14.1 |
-0.2 |
0.401 |
0 |
0 |
0 |
0.000 |
| Average: |
15.5 |
-0.2 |
0.381 |
0 |
0 |
0 |
0.000 |
| 48 |
69 |
|
B |
1 |
1 |
8945 |
f |
[IOD]A:173 |
y-1,x,-z+1 |
4_456 |
1 |
1 |
144 |
16.7 |
0.7 |
0.982 |
0 |
0 |
0 |
0.000 |
| 49 |
70 |
|
[IOD]B:166 |
1 |
1 |
144 |
◊ |
A |
y-1,x,-z+1 |
4_456 |
3 |
1 |
8662 |
7.6 |
-0.1 |
0.702 |
0 |
0 |
0 |
0.000 |
| 50 |
71 |
|
[IOD]C:171 |
1 |
1 |
144 |
◊ |
[IOD]C:171 |
-x,-x+y,-z+4/3 |
6_556 |
1 |
1 |
144 |
6.6 |
0.0 |
1.000 |
0 |
0 |
0 |
0.000 |
| 51 |
72 |
|
B |
1 |
1 |
8945 |
◊ |
[IOD]C:164 |
y-1,x,-z+1 |
4_456 |
1 |
1 |
144 |
6.5 |
0.2 |
0.945 |
0 |
0 |
0 |
0.000 |
| 52 |
73 |
|
[IOD]C:166 |
1 |
1 |
144 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
8945 |
4.6 |
0.1 |
0.895 |
0 |
0 |
0 |
0.000 |
| 53 |
74 |
|
D |
2 |
2 |
7224 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
8772 |
3.5 |
0.1 |
0.699 |
0 |
0 |
0 |
0.000 |
| 54 |
75 |
|
B |
1 |
1 |
8945 |
◊ |
B |
x-y,-y,-z+2/3 |
5_555 |
1 |
1 |
8945 |
3.2 |
0.1 |
0.770 |
0 |
0 |
0 |
0.000 |
|