## |
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 |
359 |
76 |
212944 |
◊ |
L |
x,y,z |
1_555 |
293 |
75 |
9342 |
3079.7 |
-54.1 |
0.865 |
62 |
0 |
0 |
0.086 |
2 |
|
A |
360 |
62 |
212944 |
◊ |
D |
x,y,z |
1_555 |
289 |
80 |
11995 |
3008.8 |
-53.5 |
0.782 |
84 |
0 |
0 |
0.088 |
3 |
|
A |
320 |
62 |
212944 |
◊ |
I |
x,y,z |
1_555 |
250 |
57 |
8482 |
2804.4 |
-57.1 |
0.651 |
60 |
0 |
0 |
0.084 |
4 |
|
A |
341 |
60 |
212944 |
◊ |
Q |
x,y,z |
1_555 |
254 |
58 |
7996 |
2766.3 |
-47.2 |
0.770 |
49 |
0 |
0 |
0.077 |
5 |
|
A |
296 |
60 |
212944 |
◊ |
T |
x,y,z |
1_555 |
236 |
62 |
7132 |
2547.3 |
-51.0 |
0.622 |
50 |
0 |
0 |
0.080 |
6 |
|
A |
292 |
52 |
212944 |
◊ |
P |
x,y,z |
1_555 |
237 |
56 |
5565 |
2525.1 |
-42.9 |
0.728 |
53 |
0 |
0 |
0.077 |
7 |
|
A |
223 |
38 |
212944 |
◊ |
M |
x,y,z |
1_555 |
188 |
52 |
8369 |
1980.1 |
-47.6 |
0.456 |
48 |
0 |
0 |
0.078 |
8 |
|
A |
238 |
42 |
212944 |
◊ |
E |
x,y,z |
1_555 |
188 |
53 |
8460 |
1946.7 |
-37.1 |
0.725 |
39 |
0 |
0 |
0.065 |
9 |
|
A |
252 |
44 |
212944 |
◊ |
N |
x,y,z |
1_555 |
166 |
37 |
5711 |
1874.3 |
-34.1 |
0.884 |
42 |
0 |
0 |
0.070 |
10 |
|
A |
232 |
41 |
212944 |
◊ |
G |
x,y,z |
1_555 |
179 |
45 |
10316 |
1860.9 |
-21.5 |
0.927 |
47 |
0 |
0 |
0.059 |
11 |
|
A |
236 |
46 |
212944 |
◊ |
J |
x,y,z |
1_555 |
177 |
44 |
7705 |
1851.7 |
-32.7 |
0.878 |
29 |
0 |
0 |
0.063 |
12 |
|
A |
224 |
39 |
212944 |
◊ |
K |
x,y,z |
1_555 |
174 |
43 |
7177 |
1839.9 |
-33.2 |
0.789 |
39 |
0 |
0 |
0.065 |
13 |
|
A |
234 |
42 |
212944 |
◊ |
H |
x,y,z |
1_555 |
190 |
51 |
8260 |
1834.5 |
-31.5 |
0.463 |
32 |
0 |
0 |
0.062 |
14 |
|
A |
212 |
40 |
212944 |
◊ |
O |
x,y,z |
1_555 |
177 |
45 |
6412 |
1771.8 |
-35.5 |
0.692 |
34 |
0 |
0 |
0.064 |
15 |
|
A |
191 |
35 |
212944 |
◊ |
C |
x,y,z |
1_555 |
151 |
40 |
11873 |
1661.3 |
-29.7 |
0.726 |
23 |
0 |
0 |
0.055 |
16 |
|
A |
207 |
38 |
212944 |
◊ |
S |
x,y,z |
1_555 |
155 |
26 |
5957 |
1602.1 |
-20.9 |
0.925 |
31 |
0 |
0 |
0.048 |
17 |
|
A |
154 |
34 |
212944 |
◊ |
U |
x,y,z |
1_555 |
115 |
23 |
2418 |
1297.4 |
-31.4 |
0.331 |
23 |
0 |
0 |
0.058 |
18 |
|
A |
152 |
28 |
212944 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
2_545 |
156 |
29 |
212944 |
1124.2 |
-29.1 |
0.939 |
11 |
0 |
0 |
0.000 |
19 |
|
R |
114 |
27 |
5606 |
◊ |
F |
x,y,z |
1_555 |
97 |
24 |
6875 |
982.3 |
-8.9 |
0.112 |
15 |
3 |
0 |
0.022 |
20 |
|
A |
117 |
25 |
212944 |
◊ |
B |
x,y,z |
1_555 |
93 |
34 |
12445 |
937.8 |
-12.2 |
0.865 |
20 |
0 |
0 |
0.029 |
21 |
|
A |
107 |
22 |
212944 |
◊ |
R |
x,y,z |
1_555 |
88 |
21 |
5606 |
904.6 |
-21.3 |
0.469 |
16 |
0 |
0 |
0.039 |
22 |
|
N |
79 |
20 |
5711 |
◊ |
C |
x,y,z |
1_555 |
106 |
27 |
11873 |
828.8 |
-9.6 |
0.158 |
6 |
0 |
0 |
0.016 |
23 |
|
N |
88 |
19 |
5711 |
◊ |
J |
x,y,z |
1_555 |
86 |
18 |
7705 |
786.9 |
-9.6 |
0.250 |
10 |
5 |
0 |
0.020 |
24 |
|
H |
57 |
19 |
8260 |
◊ |
E |
x,y,z |
1_555 |
54 |
14 |
8460 |
554.9 |
-2.5 |
0.392 |
6 |
4 |
0 |
0.007 |
25 |
|
A |
66 |
12 |
212944 |
◊ |
F |
x,y,z |
1_555 |
63 |
19 |
6875 |
518.0 |
-8.8 |
0.701 |
9 |
0 |
0 |
0.018 |
26 |
|
B |
37 |
14 |
12445 |
◊ |
B |
y,x,-z |
6_555 |
38 |
14 |
12445 |
421.0 |
6.9 |
0.958 |
8 |
2 |
0 |
0.000 |
27 |
|
S |
51 |
13 |
5957 |
◊ |
M |
x,y,z |
1_555 |
36 |
11 |
8369 |
409.5 |
-2.3 |
0.501 |
3 |
0 |
0 |
0.000 |
28 |
|
E |
39 |
14 |
8460 |
◊ |
D |
x,y,z |
1_555 |
37 |
11 |
11995 |
356.7 |
0.0 |
0.454 |
3 |
3 |
0 |
0.002 |
29 |
|
[4OC]A:1402 |
22 |
1 |
498 |
cf |
A |
x,y,z |
1_555 |
57 |
11 |
212944 |
350.7 |
2.6 |
0.803 |
4 |
0 |
0 |
0.000 |
30 |
|
J |
39 |
13 |
7705 |
◊ |
C |
x,y,z |
1_555 |
42 |
11 |
11873 |
349.8 |
-5.8 |
0.167 |
0 |
0 |
0 |
0.008 |
31 |
|
[HYG]A:1716 |
32 |
1 |
638 |
f |
A |
x,y,z |
1_555 |
41 |
11 |
212944 |
335.3 |
-8.4 |
0.584 |
6 |
0 |
0 |
0.015 |
32 |
|
R |
34 |
9 |
5606 |
◊ |
K |
x,y,z |
1_555 |
39 |
14 |
7177 |
331.2 |
-0.4 |
0.575 |
3 |
2 |
0 |
0.003 |
33 |
|
[2MG]A:1207 |
24 |
1 |
511 |
cf |
A |
x,y,z |
1_555 |
47 |
7 |
212944 |
309.1 |
3.7 |
0.920 |
4 |
0 |
0 |
0.000 |
34 |
|
[MA6]A:1519 |
24 |
1 |
511 |
cf |
A |
x,y,z |
1_555 |
50 |
8 |
212944 |
303.7 |
3.1 |
0.651 |
3 |
0 |
0 |
0.000 |
35 |
|
[MA6]A:1518 |
24 |
1 |
505 |
cf |
A |
x,y,z |
1_555 |
49 |
8 |
212944 |
303.1 |
3.1 |
0.635 |
1 |
0 |
0 |
0.000 |
36 |
|
[UR3]A:1498 |
21 |
1 |
451 |
cf |
A |
x,y,z |
1_555 |
47 |
11 |
212944 |
302.0 |
-1.9 |
0.772 |
6 |
0 |
0 |
0.006 |
37 |
|
E |
34 |
12 |
8460 |
◊ |
E |
y,x,-z |
6_555 |
34 |
12 |
8460 |
301.9 |
5.5 |
0.912 |
6 |
0 |
0 |
0.000 |
38 |
|
A |
36 |
8 |
212944 |
◊ |
M |
-y+1/2,x-1/2,z+1/4 |
2_545 |
36 |
11 |
8369 |
295.4 |
-7.3 |
0.386 |
1 |
0 |
0 |
0.000 |
39 |
|
[7MG]A:527 |
24 |
1 |
516 |
cf |
A |
x,y,z |
1_555 |
47 |
9 |
212944 |
285.9 |
2.7 |
0.863 |
5 |
0 |
0 |
0.000 |
40 |
|
H |
33 |
10 |
8260 |
◊ |
D |
y,x,-z |
6_555 |
28 |
11 |
11995 |
280.9 |
3.4 |
0.652 |
5 |
2 |
0 |
0.000 |
41 |
|
[5MC]A:1404 |
21 |
1 |
447 |
cf |
A |
x,y,z |
1_555 |
40 |
5 |
212944 |
264.1 |
1.5 |
0.889 |
3 |
0 |
0 |
0.000 |
42 |
|
[PSU]A:516 |
20 |
1 |
422 |
cf |
A |
x,y,z |
1_555 |
43 |
7 |
212944 |
260.6 |
-0.1 |
0.801 |
2 |
0 |
0 |
0.001 |
43 |
|
H |
26 |
8 |
8260 |
◊ |
B |
x,y,z |
1_555 |
36 |
9 |
12445 |
259.6 |
-1.3 |
0.417 |
4 |
2 |
0 |
0.005 |
44 |
|
J |
21 |
5 |
7705 |
◊ |
J |
-y+1,-x+1,-z+1/2 |
8_665 |
21 |
5 |
7705 |
246.5 |
4.8 |
0.935 |
8 |
6 |
0 |
0.000 |
45 |
|
[5MC]A:1407 |
21 |
1 |
442 |
cf |
A |
x,y,z |
1_555 |
32 |
4 |
212944 |
239.1 |
1.5 |
0.900 |
3 |
0 |
0 |
0.000 |
46 |
|
I |
21 |
10 |
8482 |
◊ |
G |
x,y,z |
1_555 |
21 |
8 |
10316 |
233.6 |
-3.7 |
0.125 |
1 |
0 |
0 |
0.000 |
47 |
|
[PSU]A:1540 |
19 |
1 |
431 |
cf |
A |
x,y,z |
1_555 |
39 |
7 |
212944 |
231.4 |
-4.4 |
0.661 |
0 |
0 |
0 |
0.006 |
48 |
|
Q |
25 |
5 |
7996 |
◊ |
L |
x,y,z |
1_555 |
24 |
7 |
9342 |
215.4 |
-4.4 |
0.169 |
0 |
0 |
0 |
0.005 |
49 |
|
K |
22 |
8 |
7177 |
◊ |
A |
x,y,z-1 |
1_554 |
22 |
3 |
212944 |
191.0 |
0.4 |
0.849 |
1 |
0 |
0 |
0.000 |
50 |
|
K |
23 |
7 |
7177 |
◊ |
G |
x,y,z |
1_555 |
27 |
6 |
10316 |
188.0 |
-3.1 |
0.239 |
1 |
0 |
0 |
0.005 |
51 |
|
[5MC]A:967 |
15 |
1 |
463 |
cf |
A |
x,y,z |
1_555 |
25 |
4 |
212944 |
186.4 |
-0.2 |
0.669 |
0 |
0 |
0 |
0.000 |
52 |
|
[5MC]A:1400 |
16 |
1 |
443 |
cf |
A |
x,y,z |
1_555 |
21 |
4 |
212944 |
162.9 |
-0.4 |
0.791 |
1 |
0 |
0 |
0.001 |
53 |
|
J |
18 |
7 |
7705 |
◊ |
I |
x,y,z |
1_555 |
17 |
4 |
8482 |
159.9 |
-0.6 |
0.427 |
0 |
0 |
0 |
0.000 |
54 |
|
[PSU]A:1541 |
14 |
1 |
435 |
cf |
A |
x,y,z |
1_555 |
22 |
5 |
212944 |
157.3 |
-3.9 |
0.547 |
0 |
0 |
0 |
0.005 |
55 |
|
[5MC]A:967 |
18 |
1 |
463 |
cf |
[M2G]A:966 |
x,y,z |
1_555 |
18 |
1 |
522 |
144.3 |
-0.1 |
0.660 |
0 |
0 |
0 |
0.000 |
56 |
|
A |
22 |
5 |
212944 |
◊ |
I |
-y+1/2,x-1/2,z+1/4 |
2_545 |
10 |
3 |
8482 |
140.9 |
-0.3 |
0.789 |
6 |
0 |
0 |
0.000 |
57 |
|
[K]A:1696 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
20 |
6 |
212944 |
140.8 |
-78.5 |
0.000 |
0 |
0 |
0 |
0.109 |
58 |
|
[K]A:1694 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
212944 |
140.4 |
-87.3 |
0.000 |
0 |
0 |
0 |
0.121 |
59 |
|
[K]A:1695 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
23 |
6 |
212944 |
140.2 |
-99.6 |
0.000 |
0 |
0 |
0 |
0.138 |
60 |
|
A |
19 |
4 |
212944 |
◊ |
G |
-y+1/2,x-1/2,z+1/4 |
2_545 |
16 |
4 |
10316 |
135.8 |
-2.2 |
0.617 |
1 |
0 |
0 |
0.000 |
61 |
|
[MA6]A:1519 |
19 |
1 |
511 |
cf |
[MA6]A:1518 |
x,y,z |
1_555 |
19 |
1 |
505 |
129.6 |
3.6 |
0.447 |
0 |
0 |
0 |
0.000 |
62 |
|
Q |
16 |
5 |
7996 |
◊ |
H |
x,y,z |
1_555 |
17 |
4 |
8260 |
122.2 |
0.6 |
0.637 |
2 |
0 |
0 |
0.000 |
63 |
|
[PSU]A:1541 |
16 |
1 |
435 |
cf |
[PSU]A:1540 |
x,y,z |
1_555 |
15 |
1 |
431 |
121.3 |
0.3 |
0.679 |
1 |
0 |
0 |
0.000 |
64 |
|
[M2G]A:966 |
10 |
1 |
522 |
cf |
A |
x,y,z |
1_555 |
19 |
5 |
212944 |
116.7 |
-0.5 |
0.725 |
0 |
0 |
0 |
0.000 |
65 |
|
[K]A:1693 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
212944 |
97.4 |
-64.3 |
0.000 |
0 |
0 |
0 |
0.089 |
66 |
|
[K]A:1697 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
212944 |
92.1 |
-55.2 |
0.000 |
0 |
0 |
0 |
0.077 |
67 |
|
A |
10 |
1 |
212944 |
◊ |
[5MC]A:1400 |
-y+1/2,x-1/2,z+1/4 |
2_545 |
14 |
1 |
443 |
78.8 |
-0.0 |
0.736 |
0 |
0 |
0 |
0.000 |
68 |
|
E |
8 |
3 |
8460 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
11873 |
74.7 |
0.5 |
0.536 |
0 |
1 |
0 |
0.000 |
69 |
|
[7MG]A:527 |
4 |
1 |
516 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
9342 |
66.1 |
-0.6 |
0.503 |
1 |
0 |
0 |
0.001 |
70 |
|
N |
13 |
2 |
5711 |
◊ |
I |
x,y,z |
1_555 |
8 |
2 |
8482 |
64.9 |
-0.2 |
0.563 |
0 |
0 |
0 |
0.000 |
71 |
|
A |
8 |
2 |
212944 |
◊ |
M |
x-1/2,-y+1/2,-z-1/4 |
5_454 |
6 |
3 |
8369 |
59.2 |
-2.1 |
0.317 |
0 |
0 |
0 |
0.000 |
72 |
|
L |
5 |
2 |
9342 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
8260 |
52.3 |
-0.8 |
0.322 |
0 |
0 |
0 |
0.000 |
73 |
|
[K]A:1696 |
1 |
1 |
216 |
f |
[PSU]A:516 |
x,y,z |
1_555 |
5 |
1 |
422 |
51.0 |
-27.4 |
0.000 |
0 |
0 |
0 |
0.038 |
74 |
|
[MA6]A:1519 |
6 |
1 |
511 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
4 |
1 |
447 |
46.8 |
-1.9 |
0.289 |
0 |
0 |
0 |
0.003 |
75 |
|
[M2G]A:966 |
3 |
1 |
522 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
8482 |
44.9 |
-1.6 |
0.311 |
0 |
0 |
0 |
0.002 |
76 |
|
U |
7 |
4 |
2418 |
◊ |
M |
x,y,z |
1_555 |
8 |
3 |
8369 |
43.2 |
0.1 |
0.499 |
0 |
0 |
0 |
0.000 |
77 |
|
C |
6 |
2 |
11873 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
12445 |
41.2 |
0.7 |
0.667 |
0 |
0 |
0 |
0.000 |
78 |
|
[HYG]A:1716 |
6 |
1 |
638 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
3 |
1 |
447 |
40.2 |
0.8 |
0.643 |
1 |
0 |
0 |
0.000 |
79 |
|
[MA6]A:1519 |
4 |
1 |
511 |
f |
[UR3]A:1498 |
x,y,z |
1_555 |
5 |
1 |
451 |
39.3 |
1.7 |
0.704 |
0 |
0 |
0 |
0.000 |
80 |
|
[HYG]A:1716 |
6 |
1 |
638 |
f |
[UR3]A:1498 |
x,y,z |
1_555 |
3 |
1 |
451 |
38.6 |
-1.5 |
0.410 |
0 |
0 |
0 |
0.002 |
81 |
|
E |
5 |
3 |
8460 |
◊ |
B |
y,x,-z |
6_555 |
6 |
3 |
12445 |
36.3 |
1.3 |
0.840 |
0 |
0 |
0 |
0.000 |
82 |
|
G |
2 |
1 |
10316 |
◊ |
G |
-y+1,-x+1,-z-1/2 |
8_664 |
2 |
1 |
10316 |
35.7 |
0.3 |
0.750 |
0 |
0 |
0 |
0.000 |
83 |
|
A |
4 |
2 |
212944 |
◊ |
D |
y,x,-z |
6_555 |
4 |
3 |
11995 |
34.7 |
-1.1 |
0.428 |
1 |
0 |
0 |
0.000 |
84 |
|
Q |
2 |
2 |
7996 |
◊ |
O |
x,y,z |
1_555 |
2 |
1 |
6412 |
32.6 |
1.4 |
0.910 |
0 |
0 |
0 |
0.000 |
85 |
|
[UR3]A:1498 |
4 |
1 |
451 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
4 |
1 |
447 |
26.9 |
0.1 |
0.596 |
0 |
0 |
0 |
0.000 |
86 |
|
[UR3]A:1498 |
3 |
1 |
451 |
f |
[4OC]A:1402 |
x,y,z |
1_555 |
1 |
1 |
498 |
25.6 |
0.8 |
0.721 |
0 |
0 |
0 |
0.000 |
87 |
|
[5MC]A:967 |
4 |
1 |
463 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
8482 |
24.3 |
-0.9 |
0.429 |
0 |
0 |
0 |
0.000 |
88 |
|
[2MG]A:1207 |
3 |
1 |
511 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
11873 |
22.5 |
0.2 |
0.603 |
0 |
0 |
0 |
0.000 |
89 |
|
[HYG]A:1716 |
2 |
1 |
638 |
f |
[5MC]A:1407 |
x,y,z |
1_555 |
2 |
1 |
442 |
20.3 |
0.5 |
0.606 |
0 |
0 |
0 |
0.000 |
90 |
|
[ZN]N:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
4 |
1 |
212944 |
16.9 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.010 |
91 |
|
O |
2 |
1 |
6412 |
◊ |
F |
x,y,z |
1_555 |
2 |
2 |
6875 |
16.8 |
0.2 |
0.517 |
0 |
0 |
0 |
0.000 |
92 |
|
[MA6]A:1518 |
3 |
1 |
505 |
f |
[UR3]A:1498 |
x,y,z |
1_555 |
4 |
1 |
451 |
14.5 |
0.8 |
0.564 |
0 |
0 |
0 |
0.000 |
93 |
|
[5MC]A:1400 |
1 |
1 |
443 |
f |
[M2G]A:966 |
x,y,z |
1_555 |
3 |
1 |
522 |
11.3 |
0.3 |
0.517 |
0 |
0 |
0 |
0.000 |
94 |
|
A |
1 |
1 |
212944 |
◊ |
[HYG]A:1716 |
-y+1/2,x-1/2,z+1/4 |
2_545 |
1 |
1 |
638 |
9.9 |
-0.8 |
0.258 |
0 |
0 |
0 |
0.000 |
95 |
|
A |
1 |
1 |
212944 |
◊ |
[PSU]A:1541 |
-y+1/2,x-1/2,z+1/4 |
2_545 |
1 |
1 |
435 |
3.1 |
-0.1 |
0.448 |
0 |
0 |
0 |
0.000 |
96 |
|
S |
1 |
1 |
5957 |
◊ |
N |
x,y,z |
1_555 |
1 |
1 |
5711 |
1.0 |
0.0 |
0.668 |
0 |
0 |
0 |
0.000 |
|