| ## |
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 |
|
B |
226 |
54 |
9997 |
◊ |
A |
x,y,z |
1_555 |
220 |
53 |
10262 |
2058.8 |
-25.5 |
0.100 |
24 |
1 |
0 |
0.252 |
2 |
|
D |
216 |
53 |
10350 |
◊ |
C |
x,y,z |
1_555 |
213 |
49 |
10514 |
2017.1 |
-23.7 |
0.087 |
22 |
0 |
0 |
0.252 |
| Average: |
2037.9 |
-24.6 |
0.094 |
23 |
1 |
0 |
0.252 |
| 2 |
3 |
|
F |
67 |
20 |
4447 |
◊ |
E |
-z+3/2,-x+1,y+1/2 |
7_665 |
84 |
23 |
4373 |
717.1 |
-12.3 |
0.131 |
9 |
0 |
0 |
1.000 |
4 |
|
H |
85 |
23 |
4422 |
◊ |
G |
x,y,z |
1_555 |
67 |
20 |
4451 |
717.1 |
-12.7 |
0.133 |
10 |
0 |
0 |
1.000 |
5 |
|
F |
86 |
24 |
4447 |
◊ |
E |
x,y,z |
1_555 |
66 |
20 |
4373 |
707.3 |
-11.8 |
0.137 |
9 |
2 |
0 |
1.000 |
6 |
|
G |
80 |
23 |
4451 |
◊ |
H |
-z+3/2,-x+1,y+1/2 |
7_665 |
64 |
19 |
4422 |
667.7 |
-11.9 |
0.148 |
7 |
0 |
0 |
1.000 |
| Average: |
702.3 |
-12.2 |
0.137 |
9 |
1 |
0 |
1.000 |
| 3 |
7 |
|
G |
51 |
15 |
4451 |
◊ |
D |
x,y,z |
1_555 |
58 |
16 |
10350 |
506.4 |
0.8 |
0.783 |
7 |
3 |
0 |
0.040 |
8 |
|
F |
46 |
15 |
4447 |
◊ |
C |
x,y,z |
1_555 |
64 |
17 |
10514 |
494.6 |
-1.6 |
0.599 |
7 |
1 |
0 |
0.040 |
9 |
|
E |
51 |
15 |
4373 |
◊ |
B |
x,y,z |
1_555 |
58 |
15 |
9997 |
482.3 |
0.1 |
0.654 |
8 |
3 |
0 |
0.040 |
10 |
|
H |
47 |
14 |
4422 |
◊ |
A |
x,y,z |
1_555 |
55 |
14 |
10262 |
452.6 |
-0.8 |
0.659 |
7 |
2 |
0 |
0.040 |
| Average: |
484.0 |
-0.4 |
0.674 |
7 |
2 |
0 |
0.040 |
| 4 |
11 |
|
D |
36 |
12 |
10350 |
◊ |
B |
x,y,z |
1_555 |
38 |
12 |
9997 |
381.0 |
-4.3 |
0.286 |
4 |
4 |
0 |
0.036 |
12 |
|
C |
33 |
12 |
10514 |
◊ |
A |
-z+3/2,-x+1,y+1/2 |
7_665 |
40 |
13 |
10262 |
345.3 |
-6.0 |
0.148 |
2 |
2 |
0 |
0.036 |
| Average: |
363.2 |
-5.1 |
0.217 |
3 |
3 |
0 |
0.036 |
| 5 |
13 |
|
B |
38 |
13 |
9997 |
x |
B |
-z+2,x-3/2,-y+1/2 |
8_735 |
40 |
12 |
9997 |
347.9 |
-1.3 |
0.628 |
2 |
1 |
0 |
0.000 |
| 6 |
14 |
|
C |
33 |
7 |
10514 |
◊ |
D |
-z+2,x-3/2,-y+1/2 |
8_735 |
34 |
8 |
10350 |
298.4 |
0.1 |
0.641 |
3 |
0 |
0 |
0.000 |
| 7 |
15 |
|
C |
27 |
8 |
10514 |
◊ |
A |
-x+2,y-1/2,-z+3/2 |
3_746 |
31 |
10 |
10262 |
283.2 |
0.0 |
0.644 |
1 |
2 |
0 |
0.000 |
| 8 |
16 |
|
C |
25 |
8 |
10514 |
◊ |
B |
-z+2,x-3/2,-y+1/2 |
8_735 |
19 |
5 |
9997 |
204.6 |
-1.5 |
0.474 |
1 |
0 |
0 |
0.000 |
| 9 |
17 |
|
D |
24 |
8 |
10350 |
x |
D |
z,x-1,y+1 |
5_546 |
22 |
6 |
10350 |
203.1 |
0.2 |
0.661 |
1 |
0 |
0 |
0.000 |
| 10 |
18 |
|
E |
19 |
8 |
4373 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
10262 |
181.6 |
0.3 |
0.683 |
0 |
0 |
0 |
0.010 |
19 |
|
H |
14 |
6 |
4422 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
9997 |
140.3 |
-0.8 |
0.572 |
1 |
0 |
0 |
0.010 |
20 |
|
F |
14 |
6 |
4447 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
10350 |
139.4 |
-1.5 |
0.426 |
1 |
0 |
0 |
0.010 |
21 |
|
G |
15 |
7 |
4451 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
10514 |
128.5 |
-1.0 |
0.519 |
0 |
0 |
0 |
0.010 |
| Average: |
147.4 |
-0.8 |
0.550 |
1 |
0 |
0 |
0.010 |
| 11 |
22 |
|
A |
21 |
9 |
10262 |
x |
A |
z+1/2,-x+3/2,-y+1 |
6_566 |
18 |
9 |
10262 |
173.1 |
0.4 |
0.687 |
0 |
2 |
0 |
0.000 |
| 12 |
23 |
|
[P4G]C:201 |
11 |
1 |
383 |
◊ |
C |
x,y,z |
1_555 |
27 |
7 |
10514 |
161.5 |
4.2 |
0.045 |
1 |
0 |
0 |
0.000 |
| 13 |
24 |
|
[P4G]B:206 |
10 |
1 |
366 |
◊ |
D |
x,y,z |
1_555 |
24 |
6 |
10350 |
143.4 |
4.1 |
0.065 |
0 |
0 |
0 |
0.000 |
| 14 |
25 |
|
[GUN]E:101 |
11 |
1 |
287 |
◊ |
E |
x,y,z |
1_555 |
18 |
6 |
4373 |
105.5 |
0.9 |
0.142 |
1 |
0 |
0 |
0.000 |
26 |
|
G |
17 |
6 |
4451 |
◊ |
[GUN]A:206 |
-z+3/2,-x+1,y+1/2 |
7_665 |
11 |
1 |
287 |
105.1 |
0.9 |
0.165 |
1 |
0 |
0 |
0.000 |
27 |
|
[GUN]H:101 |
11 |
1 |
285 |
◊ |
H |
x,y,z |
1_555 |
19 |
6 |
4422 |
104.6 |
0.8 |
0.175 |
1 |
0 |
0 |
0.000 |
28 |
|
[GUN]F:101 |
11 |
1 |
285 |
◊ |
F |
x,y,z |
1_555 |
19 |
6 |
4447 |
102.3 |
0.9 |
0.179 |
1 |
0 |
0 |
0.000 |
| Average: |
104.4 |
0.9 |
0.165 |
1 |
0 |
0 |
0.000 |
| 15 |
29 |
|
G |
10 |
3 |
4451 |
◊ |
D |
z,x-1,y+1 |
5_546 |
15 |
6 |
10350 |
105.1 |
0.2 |
0.589 |
0 |
0 |
0 |
0.000 |
| 16 |
30 |
|
F |
10 |
2 |
4447 |
◊ |
B |
-z+2,x-3/2,-y+1/2 |
8_735 |
11 |
4 |
9997 |
97.1 |
0.6 |
0.749 |
1 |
1 |
0 |
0.000 |
| 17 |
31 |
|
[GUN]A:206 |
11 |
1 |
287 |
◊ |
H |
x,y,z |
1_555 |
10 |
5 |
4422 |
91.6 |
1.3 |
0.117 |
1 |
0 |
0 |
0.000 |
32 |
|
[GUN]H:101 |
11 |
1 |
285 |
◊ |
G |
x,y,z |
1_555 |
9 |
5 |
4451 |
91.5 |
1.2 |
0.141 |
1 |
0 |
0 |
0.000 |
33 |
|
[GUN]F:101 |
11 |
1 |
285 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
4373 |
91.3 |
1.2 |
0.140 |
1 |
0 |
0 |
0.000 |
34 |
|
F |
10 |
5 |
4447 |
◊ |
[GUN]E:101 |
-z+3/2,-x+1,y+1/2 |
7_665 |
11 |
1 |
287 |
90.5 |
1.3 |
0.153 |
1 |
0 |
0 |
0.000 |
| Average: |
91.2 |
1.2 |
0.138 |
1 |
0 |
0 |
0.000 |
| 18 |
35 |
|
C |
10 |
4 |
10514 |
◊ |
E |
-z+3/2,-x+1,y+1/2 |
7_665 |
13 |
5 |
4373 |
88.4 |
0.5 |
0.667 |
1 |
0 |
0 |
0.006 |
36 |
|
G |
6 |
2 |
4451 |
◊ |
A |
-z+3/2,-x+1,y+1/2 |
7_665 |
8 |
3 |
10262 |
56.5 |
-0.5 |
0.510 |
1 |
0 |
0 |
0.006 |
37 |
|
F |
7 |
2 |
4447 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
9997 |
56.3 |
-0.6 |
0.519 |
0 |
0 |
0 |
0.006 |
38 |
|
H |
7 |
2 |
4422 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
10350 |
55.0 |
-0.5 |
0.519 |
1 |
0 |
0 |
0.006 |
| Average: |
64.0 |
-0.3 |
0.554 |
1 |
0 |
0 |
0.006 |
| 19 |
39 |
|
C |
11 |
4 |
10514 |
◊ |
H |
-x+2,y-1/2,-z+3/2 |
3_746 |
12 |
4 |
4422 |
81.9 |
1.6 |
0.820 |
0 |
0 |
0 |
0.000 |
| 20 |
40 |
|
[EDO]A:207 |
4 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
13 |
6 |
9997 |
75.3 |
1.6 |
0.396 |
1 |
0 |
0 |
0.000 |
| 21 |
41 |
|
[EDO]A:207 |
4 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
9 |
2 |
10262 |
72.2 |
1.6 |
0.246 |
2 |
0 |
0 |
0.000 |
| 22 |
42 |
|
F |
6 |
2 |
4447 |
◊ |
A |
-z+2,x-3/2,-y+1/2 |
8_735 |
9 |
5 |
10262 |
65.2 |
-0.4 |
0.569 |
0 |
0 |
0 |
0.000 |
| 23 |
43 |
|
G |
9 |
2 |
4451 |
◊ |
C |
z,x-1,y+1 |
5_546 |
13 |
4 |
10514 |
63.5 |
-0.4 |
0.582 |
1 |
0 |
0 |
0.000 |
| 24 |
44 |
|
[GUN]F:101 |
5 |
1 |
285 |
f |
B |
x,y,z |
1_555 |
8 |
3 |
9997 |
61.4 |
0.6 |
0.261 |
3 |
0 |
0 |
0.010 |
45 |
|
[GUN]H:101 |
5 |
1 |
285 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
10350 |
60.9 |
0.6 |
0.259 |
3 |
0 |
0 |
0.010 |
46 |
|
C |
7 |
3 |
10514 |
f |
[GUN]E:101 |
-z+3/2,-x+1,y+1/2 |
7_665 |
5 |
1 |
287 |
60.7 |
0.6 |
0.254 |
3 |
0 |
0 |
0.010 |
47 |
|
[GUN]A:206 |
5 |
1 |
287 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
10262 |
60.6 |
0.6 |
0.226 |
3 |
0 |
0 |
0.010 |
| Average: |
60.9 |
0.6 |
0.250 |
3 |
0 |
0 |
0.010 |
| 25 |
48 |
|
[CA]D:205 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
6 |
10350 |
48.2 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.158 |
49 |
|
[CA]B:205 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
6 |
9997 |
46.9 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.158 |
50 |
|
[CA]A:205 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
10262 |
44.3 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.158 |
51 |
|
[CA]C:206 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
10514 |
44.3 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.158 |
| Average: |
45.9 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.158 |
| 26 |
52 |
|
[P4G]B:206 |
4 |
1 |
366 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9997 |
44.8 |
1.3 |
0.162 |
0 |
0 |
0 |
0.000 |
| 27 |
53 |
|
[CA]A:204 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
10262 |
44.4 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.170 |
54 |
|
[CA]B:201 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
9 |
5 |
9997 |
44.4 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.170 |
55 |
|
[CA]C:202 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
7 |
3 |
10514 |
43.8 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.170 |
56 |
|
[CA]D:201 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
10350 |
43.6 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.170 |
| Average: |
44.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.170 |
| 28 |
57 |
|
[CA]C:205 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
5 |
10514 |
43.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.176 |
58 |
|
[CA]B:203 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
9997 |
43.6 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.176 |
59 |
|
[CA]D:204 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
5 |
4 |
10350 |
43.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.176 |
60 |
|
[CA]A:202 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
10262 |
43.0 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.176 |
| Average: |
43.3 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.176 |
| 29 |
61 |
|
[CA]D:203 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
10350 |
42.8 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.160 |
62 |
|
[CA]C:204 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
2 |
2 |
10514 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.160 |
63 |
|
[CA]B:202 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
2 |
2 |
9997 |
42.6 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.160 |
| Average: |
42.7 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.160 |
| 30 |
64 |
|
[CA]D:202 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
10350 |
42.5 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.151 |
65 |
|
[CA]C:203 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
6 |
4 |
10514 |
41.3 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.151 |
66 |
|
[CA]A:203 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
10262 |
41.0 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.151 |
67 |
|
[CA]B:204 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
9997 |
38.8 |
-10.8 |
0.000 |
0 |
0 |
0 |
0.151 |
| Average: |
40.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.151 |
| 31 |
68 |
|
[P4G]C:201 |
4 |
1 |
383 |
f |
A |
-z+3/2,-x+1,y+1/2 |
7_665 |
6 |
2 |
10262 |
38.0 |
0.9 |
0.098 |
0 |
0 |
0 |
0.000 |
| 32 |
69 |
|
[CA]B:204 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
10262 |
12.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.023 |
70 |
|
[CA]A:203 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
9997 |
11.4 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.023 |
71 |
|
[CA]C:203 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
10350 |
11.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.023 |
72 |
|
[CA]D:202 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
10514 |
5.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.023 |
| Average: |
10.1 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.023 |
| 33 |
73 |
|
H |
1 |
1 |
4422 |
◊ |
D |
z,x-1,y+1 |
5_546 |
1 |
1 |
10350 |
5.2 |
0.1 |
0.580 |
0 |
0 |
0 |
0.000 |
| 34 |
74 |
|
E |
1 |
1 |
4373 |
◊ |
A |
-x+5/2,-y,z-1/2 |
2_754 |
1 |
1 |
10262 |
3.3 |
-0.1 |
0.413 |
0 |
0 |
0 |
0.000 |
|