## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
A |
367 |
73 |
211359 |
◊ |
L |
x,y,z |
1_555 |
311 |
78 |
9311 |
3193.0 |
-63.2 |
0.756 |
74 |
0 |
0 |
0.155 |
2 |
|
A |
348 |
61 |
211359 |
◊ |
D |
x,y,z |
1_555 |
290 |
78 |
12233 |
2966.3 |
-53.7 |
0.733 |
84 |
0 |
0 |
0.159 |
3 |
|
A |
325 |
63 |
211359 |
◊ |
I |
x,y,z |
1_555 |
268 |
60 |
8378 |
2854.7 |
-53.9 |
0.746 |
56 |
0 |
0 |
0.149 |
4 |
|
A |
328 |
59 |
211359 |
◊ |
Q |
x,y,z |
1_555 |
242 |
55 |
7742 |
2601.6 |
-45.4 |
0.743 |
44 |
0 |
0 |
0.143 |
5 |
|
A |
291 |
58 |
211359 |
◊ |
T |
x,y,z |
1_555 |
244 |
60 |
6976 |
2501.5 |
-56.8 |
0.540 |
35 |
0 |
0 |
0.142 |
6 |
|
A |
284 |
52 |
211359 |
◊ |
P |
x,y,z |
1_555 |
242 |
56 |
5567 |
2477.5 |
-48.8 |
0.546 |
45 |
0 |
0 |
0.144 |
7 |
|
A |
244 |
40 |
211359 |
◊ |
E |
x,y,z |
1_555 |
189 |
57 |
8596 |
2009.2 |
-36.9 |
0.742 |
39 |
0 |
0 |
0.128 |
8 |
|
A |
216 |
38 |
211359 |
◊ |
M |
x,y,z |
1_555 |
194 |
51 |
8347 |
1974.7 |
-47.8 |
0.457 |
50 |
0 |
0 |
0.145 |
9 |
|
A |
254 |
46 |
211359 |
◊ |
N |
x,y,z |
1_555 |
163 |
37 |
5720 |
1877.8 |
-33.4 |
0.855 |
47 |
0 |
0 |
0.149 |
10 |
|
A |
233 |
41 |
211359 |
◊ |
G |
x,y,z |
1_555 |
187 |
45 |
10329 |
1870.7 |
-21.9 |
0.922 |
40 |
0 |
0 |
0.164 |
11 |
|
A |
237 |
43 |
211359 |
◊ |
H |
x,y,z |
1_555 |
188 |
51 |
8289 |
1835.5 |
-29.8 |
0.458 |
30 |
0 |
0 |
0.154 |
12 |
|
A |
220 |
39 |
211359 |
◊ |
K |
x,y,z |
1_555 |
169 |
42 |
7306 |
1833.1 |
-31.1 |
0.803 |
32 |
0 |
0 |
0.132 |
13 |
|
A |
237 |
45 |
211359 |
◊ |
J |
x,y,z |
1_555 |
168 |
42 |
7684 |
1804.1 |
-31.3 |
0.866 |
27 |
0 |
0 |
0.126 |
14 |
|
A |
207 |
39 |
211359 |
◊ |
O |
x,y,z |
1_555 |
176 |
44 |
6505 |
1776.0 |
-32.6 |
0.757 |
38 |
0 |
0 |
0.124 |
15 |
|
A |
205 |
39 |
211359 |
◊ |
C |
x,y,z |
1_555 |
164 |
44 |
11733 |
1730.7 |
-34.5 |
0.632 |
30 |
0 |
0 |
0.128 |
16 |
|
A |
209 |
40 |
211359 |
◊ |
S |
x,y,z |
1_555 |
160 |
29 |
6053 |
1605.3 |
-20.1 |
0.857 |
29 |
0 |
0 |
0.136 |
17 |
|
A |
150 |
35 |
211359 |
◊ |
U |
x,y,z |
1_555 |
118 |
23 |
2393 |
1286.1 |
-27.8 |
0.462 |
31 |
0 |
0 |
0.172 |
18 |
|
R |
106 |
25 |
5794 |
◊ |
F |
x,y,z |
1_555 |
109 |
25 |
7070 |
1011.7 |
-8.1 |
0.110 |
14 |
3 |
0 |
0.061 |
19 |
|
A |
120 |
25 |
211359 |
◊ |
B |
x,y,z |
1_555 |
102 |
36 |
12294 |
998.7 |
-15.0 |
0.797 |
18 |
0 |
0 |
0.095 |
20 |
|
A |
129 |
25 |
211359 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
3_545 |
134 |
26 |
211359 |
959.2 |
-23.4 |
0.942 |
3 |
0 |
0 |
0.000 |
21 |
|
A |
106 |
23 |
211359 |
◊ |
R |
x,y,z |
1_555 |
83 |
21 |
5794 |
918.5 |
-22.4 |
0.397 |
19 |
0 |
0 |
0.127 |
22 |
|
N |
85 |
20 |
5720 |
◊ |
C |
x,y,z |
1_555 |
102 |
27 |
11733 |
865.1 |
-10.6 |
0.099 |
4 |
0 |
0 |
0.383 |
23 |
|
N |
78 |
18 |
5720 |
◊ |
J |
x,y,z |
1_555 |
87 |
18 |
7684 |
767.7 |
-10.1 |
0.178 |
11 |
5 |
0 |
1.000 |
24 |
|
H |
64 |
19 |
8289 |
◊ |
E |
x,y,z |
1_555 |
67 |
17 |
8596 |
618.4 |
-1.1 |
0.469 |
6 |
2 |
0 |
0.010 |
25 |
|
A |
67 |
14 |
211359 |
◊ |
F |
x,y,z |
1_555 |
71 |
20 |
7070 |
580.9 |
-7.9 |
0.734 |
15 |
0 |
0 |
0.060 |
26 |
|
a |
61 |
9 |
2743 |
◊ |
A |
x,y,z |
1_555 |
67 |
16 |
211359 |
524.2 |
-9.6 |
0.921 |
22 |
0 |
0 |
0.080 |
27 |
|
B |
46 |
14 |
12294 |
◊ |
B |
y,x,-z |
7_555 |
48 |
14 |
12294 |
491.4 |
4.2 |
0.855 |
4 |
4 |
0 |
0.000 |
28 |
|
J |
51 |
15 |
7684 |
◊ |
C |
x,y,z |
1_555 |
52 |
15 |
11733 |
443.2 |
-3.3 |
0.333 |
2 |
0 |
0 |
0.131 |
29 |
|
S |
40 |
10 |
6053 |
◊ |
M |
x,y,z |
1_555 |
40 |
13 |
8347 |
407.8 |
-3.1 |
0.373 |
2 |
0 |
0 |
0.000 |
30 |
|
E |
45 |
13 |
8596 |
◊ |
D |
x,y,z |
1_555 |
36 |
11 |
12233 |
407.3 |
1.3 |
0.551 |
7 |
4 |
0 |
0.004 |
31 |
|
E |
41 |
14 |
8596 |
◊ |
E |
y,x,-z |
7_555 |
40 |
14 |
8596 |
357.3 |
5.8 |
0.895 |
6 |
2 |
0 |
0.000 |
32 |
|
W |
42 |
4 |
2133 |
◊ |
A |
x,y,z |
1_555 |
43 |
10 |
211359 |
330.9 |
0.5 |
0.957 |
4 |
0 |
0 |
0.000 |
33 |
|
R |
31 |
9 |
5794 |
◊ |
K |
x,y,z |
1_555 |
39 |
14 |
7306 |
328.6 |
-0.9 |
0.488 |
3 |
1 |
0 |
0.007 |
34 |
|
[SRY]A:1956 |
29 |
1 |
693 |
f |
A |
x,y,z |
1_555 |
46 |
13 |
211359 |
328.1 |
-10.0 |
0.717 |
5 |
0 |
0 |
0.051 |
35 |
|
[2MG]A:1207 |
24 |
1 |
522 |
cf |
A |
x,y,z |
1_555 |
51 |
8 |
211359 |
312.9 |
3.5 |
0.919 |
2 |
0 |
0 |
0.000 |
36 |
|
A |
42 |
9 |
211359 |
◊ |
M |
-y+1/2,x-1/2,z+1/4 |
3_545 |
39 |
12 |
8347 |
312.6 |
-6.3 |
0.446 |
2 |
0 |
0 |
0.000 |
37 |
|
[4OC]A:1402 |
22 |
1 |
494 |
cf |
A |
x,y,z |
1_555 |
43 |
7 |
211359 |
310.9 |
2.4 |
0.754 |
3 |
0 |
0 |
0.000 |
38 |
|
H |
38 |
12 |
8289 |
◊ |
D |
y,x,-z |
7_555 |
30 |
13 |
12233 |
301.0 |
5.0 |
0.754 |
5 |
5 |
0 |
0.000 |
39 |
|
[MA6]A:1519 |
22 |
1 |
518 |
cf |
A |
x,y,z |
1_555 |
46 |
8 |
211359 |
289.6 |
0.3 |
0.637 |
3 |
0 |
0 |
0.004 |
40 |
|
[MA6]A:1518 |
24 |
1 |
517 |
cf |
A |
x,y,z |
1_555 |
43 |
6 |
211359 |
282.2 |
1.2 |
0.647 |
0 |
0 |
0 |
0.000 |
41 |
|
[7MG]A:527 |
24 |
1 |
501 |
cf |
A |
x,y,z |
1_555 |
45 |
8 |
211359 |
276.2 |
3.6 |
0.892 |
5 |
0 |
0 |
0.000 |
42 |
|
H |
29 |
8 |
8289 |
◊ |
B |
x,y,z |
1_555 |
43 |
11 |
12294 |
262.2 |
0.1 |
0.550 |
5 |
2 |
0 |
0.009 |
43 |
|
[PSU]A:516 |
20 |
1 |
424 |
cf |
A |
x,y,z |
1_555 |
42 |
6 |
211359 |
261.7 |
-0.5 |
0.817 |
2 |
0 |
0 |
0.006 |
44 |
|
[5MC]A:1404 |
21 |
1 |
437 |
cf |
A |
x,y,z |
1_555 |
35 |
5 |
211359 |
254.0 |
1.5 |
0.890 |
4 |
0 |
0 |
0.001 |
45 |
|
[PSU]W:38 |
20 |
1 |
427 |
cf |
W |
x,y,z |
1_555 |
36 |
3 |
2133 |
251.6 |
1.4 |
0.868 |
0 |
0 |
0 |
0.000 |
46 |
|
[5MC]A:1407 |
21 |
1 |
450 |
cf |
A |
x,y,z |
1_555 |
31 |
5 |
211359 |
250.3 |
1.3 |
0.886 |
4 |
0 |
0 |
0.002 |
47 |
|
[UR3]A:1498 |
19 |
1 |
449 |
cf |
A |
x,y,z |
1_555 |
34 |
8 |
211359 |
246.0 |
-1.4 |
0.739 |
3 |
0 |
0 |
0.011 |
48 |
|
V |
33 |
4 |
1053 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
211359 |
244.0 |
-7.7 |
0.780 |
1 |
0 |
0 |
0.034 |
49 |
|
I |
23 |
9 |
8378 |
◊ |
G |
x,y,z |
1_555 |
25 |
8 |
10329 |
232.1 |
-2.8 |
0.206 |
2 |
0 |
0 |
0.000 |
50 |
|
K |
25 |
6 |
7306 |
◊ |
G |
x,y,z |
1_555 |
27 |
7 |
10329 |
230.5 |
-1.0 |
0.447 |
2 |
0 |
0 |
0.006 |
51 |
|
[PSU]a:38 |
20 |
1 |
422 |
cf |
a |
x,y,z |
1_555 |
31 |
2 |
2743 |
228.7 |
1.8 |
0.879 |
0 |
0 |
0 |
0.000 |
52 |
|
W |
25 |
4 |
2133 |
◊ |
V |
x,y,z |
1_555 |
27 |
4 |
1053 |
210.4 |
-3.4 |
0.832 |
4 |
0 |
0 |
0.000 |
53 |
|
Q |
24 |
5 |
7742 |
◊ |
L |
x,y,z |
1_555 |
21 |
6 |
9311 |
205.3 |
-3.3 |
0.191 |
1 |
0 |
0 |
0.006 |
54 |
|
K |
25 |
8 |
7306 |
◊ |
A |
x,y,z-1 |
1_554 |
22 |
3 |
211359 |
204.2 |
-1.4 |
0.685 |
0 |
0 |
0 |
0.000 |
55 |
|
[5MC]A:967 |
17 |
1 |
451 |
cf |
A |
x,y,z |
1_555 |
26 |
5 |
211359 |
181.9 |
-0.5 |
0.664 |
0 |
0 |
0 |
0.002 |
56 |
|
J |
25 |
8 |
7684 |
◊ |
I |
x,y,z |
1_555 |
17 |
5 |
8378 |
174.7 |
-0.6 |
0.463 |
0 |
0 |
0 |
0.000 |
57 |
|
[PSU]A:1540 |
15 |
1 |
418 |
cf |
A |
x,y,z |
1_555 |
27 |
4 |
211359 |
148.2 |
-0.2 |
0.799 |
1 |
0 |
0 |
0.003 |
58 |
|
[MA6]A:1519 |
19 |
1 |
518 |
cf |
[MA6]A:1518 |
x,y,z |
1_555 |
17 |
1 |
517 |
144.7 |
3.9 |
0.440 |
0 |
0 |
0 |
0.000 |
59 |
|
[5MC]A:967 |
16 |
1 |
451 |
cf |
[M2G]A:966 |
x,y,z |
1_555 |
20 |
1 |
519 |
141.4 |
0.8 |
0.736 |
1 |
0 |
0 |
0.000 |
60 |
|
A |
17 |
4 |
211359 |
◊ |
I |
-y+1/2,x-1/2,z+1/4 |
3_545 |
10 |
3 |
8378 |
136.8 |
-2.0 |
0.603 |
3 |
0 |
0 |
0.000 |
61 |
|
J |
18 |
3 |
7684 |
◊ |
J |
-y+1,-x+1,-z+1/2 |
8_665 |
18 |
3 |
7684 |
133.0 |
1.3 |
0.744 |
0 |
0 |
0 |
0.000 |
62 |
|
Q |
16 |
5 |
7742 |
◊ |
H |
x,y,z |
1_555 |
17 |
4 |
8289 |
121.6 |
-0.1 |
0.552 |
1 |
0 |
0 |
0.001 |
63 |
|
[5MC]A:1400 |
9 |
1 |
448 |
cf |
A |
x,y,z |
1_555 |
13 |
3 |
211359 |
116.5 |
0.4 |
0.753 |
0 |
0 |
0 |
0.000 |
64 |
|
[PSU]A:1541 |
13 |
1 |
426 |
cf |
[PSU]A:1540 |
x,y,z |
1_555 |
16 |
1 |
418 |
109.5 |
1.6 |
0.750 |
0 |
0 |
0 |
0.000 |
65 |
|
[M2G]A:966 |
9 |
1 |
519 |
cf |
A |
x,y,z |
1_555 |
18 |
5 |
211359 |
103.8 |
1.2 |
0.831 |
0 |
0 |
0 |
0.000 |
66 |
|
[SRY]A:1956 |
9 |
1 |
693 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
9311 |
100.6 |
-1.5 |
0.542 |
2 |
0 |
0 |
0.004 |
67 |
|
A |
15 |
3 |
211359 |
◊ |
b |
-y+1/2,x-1/2,z+1/4 |
3_545 |
10 |
2 |
633 |
95.8 |
-6.1 |
0.477 |
0 |
0 |
0 |
0.000 |
68 |
|
A |
8 |
2 |
211359 |
◊ |
G |
-y+1/2,x-1/2,z+1/4 |
3_545 |
9 |
3 |
10329 |
81.2 |
-3.7 |
0.268 |
1 |
0 |
0 |
0.000 |
69 |
|
b |
11 |
2 |
633 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
211359 |
80.8 |
-2.7 |
0.679 |
2 |
0 |
0 |
0.000 |
70 |
|
U |
8 |
3 |
2393 |
◊ |
M |
x,y,z |
1_555 |
7 |
3 |
8347 |
80.4 |
0.1 |
0.542 |
0 |
0 |
0 |
0.000 |
71 |
|
[SRY]A:1956 |
8 |
1 |
693 |
f |
[7MG]A:527 |
x,y,z |
1_555 |
5 |
1 |
501 |
76.4 |
-3.6 |
0.279 |
0 |
0 |
0 |
0.015 |
72 |
|
V |
11 |
3 |
1053 |
◊ |
L |
x,y,z |
1_555 |
11 |
2 |
9311 |
75.5 |
-0.4 |
0.725 |
2 |
0 |
0 |
0.000 |
73 |
|
[UR3]A:1498 |
11 |
1 |
449 |
◊ |
b |
x,y,z |
1_555 |
9 |
2 |
633 |
72.0 |
-1.6 |
0.685 |
0 |
0 |
0 |
0.000 |
74 |
|
E |
9 |
4 |
8596 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
11733 |
69.7 |
0.3 |
0.662 |
1 |
1 |
0 |
0.000 |
75 |
|
N |
14 |
3 |
5720 |
◊ |
I |
x,y,z |
1_555 |
7 |
2 |
8378 |
67.5 |
0.3 |
0.654 |
0 |
0 |
0 |
0.000 |
76 |
|
[7MG]A:527 |
5 |
1 |
501 |
◊ |
L |
x,y,z |
1_555 |
9 |
4 |
9311 |
65.1 |
-0.3 |
0.539 |
1 |
0 |
0 |
0.001 |
77 |
|
A |
8 |
2 |
211359 |
◊ |
[5MC]A:1400 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
10 |
1 |
448 |
64.2 |
-1.0 |
0.589 |
0 |
0 |
0 |
0.000 |
78 |
|
[PSU]a:38 |
10 |
1 |
422 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
211359 |
63.2 |
1.2 |
0.800 |
1 |
0 |
0 |
0.000 |
79 |
|
A |
7 |
2 |
211359 |
◊ |
M |
x-1/2,-y+1/2,-z-1/4 |
6_454 |
6 |
3 |
8347 |
62.3 |
-2.0 |
0.345 |
0 |
0 |
0 |
0.000 |
80 |
|
L |
6 |
2 |
9311 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
8289 |
59.2 |
-0.7 |
0.339 |
0 |
0 |
0 |
0.000 |
81 |
|
[PSU]A:1540 |
6 |
1 |
418 |
◊ |
a |
x,y,z |
1_555 |
9 |
2 |
2743 |
56.4 |
-1.7 |
0.547 |
0 |
0 |
0 |
0.007 |
82 |
|
A |
6 |
1 |
211359 |
◊ |
[M2G]A:966 |
-y+1/2,x-1/2,z+1/4 |
3_545 |
14 |
1 |
519 |
53.9 |
-0.9 |
0.551 |
0 |
0 |
0 |
0.000 |
83 |
|
[PSU]A:1541 |
7 |
1 |
426 |
◊ |
a |
x,y,z |
1_555 |
7 |
2 |
2743 |
51.2 |
-1.5 |
0.528 |
1 |
0 |
0 |
0.008 |
84 |
|
[M2G]A:966 |
2 |
1 |
519 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
8378 |
48.6 |
-2.0 |
0.227 |
0 |
0 |
0 |
0.004 |
85 |
|
A |
5 |
2 |
211359 |
◊ |
D |
y,x,-z |
7_555 |
5 |
2 |
12233 |
39.1 |
-0.1 |
0.617 |
1 |
0 |
0 |
0.000 |
86 |
|
a |
6 |
2 |
2743 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
7306 |
30.0 |
-1.2 |
0.531 |
0 |
0 |
0 |
0.003 |
87 |
|
[4OC]A:1402 |
1 |
1 |
494 |
◊ |
b |
x,y,z |
1_555 |
5 |
1 |
633 |
29.5 |
0.2 |
0.762 |
0 |
0 |
0 |
0.000 |
88 |
|
[5MC]A:967 |
5 |
1 |
451 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
8378 |
29.3 |
0.4 |
0.574 |
0 |
0 |
0 |
0.000 |
89 |
|
O |
2 |
1 |
6505 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
7070 |
29.1 |
0.5 |
0.416 |
0 |
0 |
0 |
0.000 |
90 |
|
[MA6]A:1519 |
4 |
1 |
518 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
3 |
1 |
437 |
20.6 |
-1.2 |
0.344 |
0 |
0 |
0 |
0.005 |
91 |
|
[UR3]A:1498 |
2 |
1 |
449 |
f |
[4OC]A:1402 |
x,y,z |
1_555 |
2 |
1 |
494 |
20.0 |
0.0 |
0.482 |
0 |
0 |
0 |
0.000 |
92 |
|
[UR3]A:1498 |
3 |
1 |
449 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
5 |
1 |
437 |
20.0 |
-0.1 |
0.568 |
0 |
0 |
0 |
0.000 |
93 |
|
[2MG]A:1207 |
3 |
1 |
522 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
11733 |
18.7 |
0.4 |
0.662 |
0 |
0 |
0 |
0.000 |
94 |
|
[ZN]N:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
211359 |
14.2 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.025 |
95 |
|
[5MC]A:1400 |
1 |
1 |
448 |
f |
[M2G]A:966 |
x,y,z |
1_555 |
3 |
1 |
519 |
11.1 |
0.2 |
0.508 |
0 |
0 |
0 |
0.000 |
96 |
|
[5MC]A:1400 |
3 |
1 |
448 |
◊ |
b |
x,y,z |
1_555 |
2 |
1 |
633 |
10.5 |
0.4 |
0.597 |
0 |
0 |
0 |
0.000 |
97 |
|
E |
1 |
1 |
8596 |
◊ |
B |
y,x,-z |
7_555 |
1 |
1 |
12294 |
4.5 |
0.2 |
0.813 |
0 |
0 |
0 |
0.000 |
98 |
|
Q |
1 |
1 |
7742 |
◊ |
O |
x,y,z |
1_555 |
1 |
1 |
6505 |
3.1 |
-0.0 |
0.603 |
0 |
0 |
0 |
0.000 |
99 |
|
[MA6]A:1519 |
2 |
1 |
518 |
f |
[UR3]A:1498 |
x,y,z |
1_555 |
1 |
1 |
449 |
3.0 |
0.2 |
0.419 |
0 |
0 |
0 |
0.000 |
100 |
|
S |
1 |
1 |
6053 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
5720 |
1.8 |
0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
101 |
|
[PSU]A:1541 |
2 |
1 |
426 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
211359 |
1.3 |
0.1 |
0.514 |
0 |
0 |
0 |
0.000 |
102 |
|
A |
2 |
1 |
211359 |
x |
A |
x,y,z-1 |
1_554 |
1 |
1 |
211359 |
0.6 |
0.0 |
0.558 |
0 |
0 |
0 |
0.000 |
103 |
|
E |
1 |
1 |
8596 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
12294 |
0.4 |
0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
|