## |
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 |
100 |
27 |
9635 |
◊ |
A |
x,y,z |
1_555 |
103 |
29 |
9577 |
958.7 |
-10.3 |
0.226 |
9 |
4 |
0 |
1.000 |
2 |
|
G |
95 |
27 |
9612 |
◊ |
F |
x,y,z |
1_555 |
105 |
30 |
9730 |
954.5 |
-11.0 |
0.204 |
8 |
3 |
0 |
1.000 |
3 |
|
C |
101 |
26 |
9664 |
◊ |
B |
x,y,z |
1_555 |
97 |
29 |
9635 |
943.8 |
-9.5 |
0.259 |
8 |
4 |
0 |
1.000 |
4 |
|
D |
96 |
26 |
9684 |
◊ |
C |
x,y,z |
1_555 |
107 |
30 |
9664 |
940.0 |
-9.6 |
0.266 |
7 |
4 |
0 |
1.000 |
5 |
|
E |
95 |
24 |
9620 |
◊ |
D |
x,y,z |
1_555 |
102 |
29 |
9684 |
939.2 |
-9.3 |
0.276 |
7 |
5 |
0 |
1.000 |
6 |
|
F |
93 |
26 |
9730 |
◊ |
E |
x,y,z |
1_555 |
98 |
30 |
9620 |
918.4 |
-9.7 |
0.248 |
7 |
4 |
0 |
1.000 |
7 |
|
G |
102 |
30 |
9612 |
◊ |
A |
x,y,z |
1_555 |
93 |
25 |
9577 |
907.0 |
-8.6 |
0.312 |
7 |
4 |
0 |
1.000 |
Average: |
937.4 |
-9.7 |
0.256 |
8 |
4 |
0 |
1.000 |
2 |
8 |
|
E |
87 |
23 |
9620 |
◊ |
D |
-x,y,-z+1 |
2_556 |
84 |
23 |
9684 |
818.3 |
-4.9 |
0.533 |
16 |
0 |
0 |
0.963 |
9 |
|
G |
89 |
23 |
9612 |
◊ |
B |
-x,y,-z+1 |
2_556 |
85 |
23 |
9635 |
818.1 |
-5.0 |
0.550 |
16 |
0 |
0 |
0.963 |
10 |
|
F |
88 |
23 |
9730 |
◊ |
C |
-x,y,-z+1 |
2_556 |
88 |
23 |
9664 |
816.4 |
-5.2 |
0.523 |
17 |
0 |
0 |
0.963 |
11 |
|
A |
88 |
22 |
9577 |
◊ |
A |
-x,y,-z+1 |
2_556 |
87 |
22 |
9577 |
809.1 |
-5.9 |
0.462 |
16 |
0 |
0 |
0.963 |
Average: |
815.5 |
-5.2 |
0.517 |
16 |
0 |
0 |
0.963 |
3 |
12 |
|
F |
33 |
7 |
9730 |
◊ |
F |
-x,y,-z |
2_555 |
33 |
7 |
9730 |
352.1 |
5.1 |
0.963 |
2 |
4 |
0 |
0.000 |
4 |
13 |
|
M |
27 |
5 |
844 |
◊ |
E |
x,y,z |
1_555 |
40 |
14 |
9620 |
316.6 |
-4.4 |
0.537 |
3 |
0 |
0 |
0.000 |
14 |
|
N |
25 |
5 |
839 |
◊ |
G |
x,y,z |
1_555 |
42 |
15 |
9612 |
310.6 |
-4.1 |
0.564 |
2 |
0 |
0 |
0.000 |
15 |
|
H |
26 |
5 |
839 |
◊ |
B |
x,y,z |
1_555 |
41 |
14 |
9635 |
303.1 |
-4.5 |
0.492 |
4 |
0 |
0 |
0.000 |
16 |
|
K |
25 |
5 |
842 |
◊ |
C |
x,y,z |
1_555 |
40 |
14 |
9664 |
298.1 |
-3.9 |
0.576 |
3 |
0 |
0 |
0.000 |
17 |
|
J |
26 |
5 |
833 |
◊ |
F |
x,y,z |
1_555 |
41 |
14 |
9730 |
297.9 |
-4.1 |
0.546 |
3 |
0 |
0 |
0.000 |
18 |
|
I |
23 |
5 |
833 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
9577 |
295.0 |
-4.5 |
0.451 |
4 |
0 |
0 |
0.000 |
19 |
|
L |
25 |
5 |
842 |
◊ |
D |
x,y,z |
1_555 |
36 |
15 |
9684 |
291.1 |
-4.2 |
0.495 |
2 |
0 |
0 |
0.000 |
Average: |
301.8 |
-4.2 |
0.523 |
3 |
0 |
0 |
0.000 |
5 |
20 |
|
D |
24 |
8 |
9684 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
31 |
11 |
9577 |
277.2 |
-1.1 |
0.562 |
3 |
0 |
0 |
0.000 |
21 |
|
B |
25 |
8 |
9635 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
33 |
12 |
9730 |
270.9 |
-1.5 |
0.530 |
3 |
0 |
0 |
0.000 |
Average: |
274.0 |
-1.3 |
0.546 |
3 |
0 |
0 |
0.000 |
6 |
22 |
|
H |
20 |
4 |
839 |
◊ |
A |
x,y,z |
1_555 |
19 |
6 |
9577 |
166.5 |
-0.8 |
0.578 |
1 |
0 |
0 |
0.000 |
23 |
|
M |
20 |
4 |
844 |
◊ |
D |
x,y,z |
1_555 |
18 |
6 |
9684 |
162.4 |
-1.0 |
0.535 |
1 |
0 |
0 |
0.000 |
24 |
|
L |
19 |
4 |
842 |
◊ |
C |
x,y,z |
1_555 |
19 |
6 |
9664 |
157.8 |
-1.2 |
0.522 |
1 |
0 |
0 |
0.000 |
25 |
|
K |
20 |
4 |
842 |
◊ |
B |
x,y,z |
1_555 |
18 |
6 |
9635 |
156.6 |
-1.2 |
0.510 |
0 |
0 |
0 |
0.000 |
26 |
|
N |
19 |
4 |
839 |
◊ |
F |
x,y,z |
1_555 |
18 |
6 |
9730 |
155.5 |
-1.0 |
0.535 |
1 |
0 |
0 |
0.000 |
27 |
|
I |
20 |
4 |
833 |
◊ |
G |
x,y,z |
1_555 |
18 |
6 |
9612 |
153.3 |
-1.2 |
0.495 |
1 |
0 |
0 |
0.000 |
28 |
|
J |
20 |
4 |
833 |
◊ |
E |
x,y,z |
1_555 |
18 |
6 |
9620 |
149.4 |
-1.1 |
0.520 |
0 |
0 |
0 |
0.000 |
Average: |
157.3 |
-1.1 |
0.528 |
1 |
0 |
0 |
0.000 |
7 |
29 |
|
G |
18 |
6 |
9612 |
◊ |
A |
-x,y,-z |
2_555 |
17 |
4 |
9577 |
145.4 |
-0.0 |
0.656 |
0 |
2 |
0 |
0.000 |
8 |
30 |
|
[NHE]B:502 |
9 |
1 |
376 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
9635 |
130.0 |
2.6 |
0.155 |
5 |
0 |
0 |
0.000 |
31 |
|
[NHE]D:504 |
9 |
1 |
374 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
9684 |
117.6 |
2.5 |
0.157 |
3 |
0 |
0 |
0.000 |
Average: |
123.8 |
2.5 |
0.156 |
4 |
0 |
0 |
0.000 |
9 |
32 |
|
[NHE]F:506 |
9 |
1 |
376 |
f |
F |
x,y,z |
1_555 |
18 |
8 |
9730 |
121.1 |
2.4 |
0.156 |
8 |
0 |
0 |
0.214 |
33 |
|
[NHE]A:501 |
8 |
1 |
375 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
9577 |
118.1 |
1.0 |
0.146 |
5 |
0 |
0 |
0.214 |
34 |
|
[NHE]E:505 |
9 |
1 |
371 |
f |
E |
x,y,z |
1_555 |
19 |
8 |
9620 |
115.8 |
2.0 |
0.149 |
6 |
0 |
0 |
0.214 |
35 |
|
[NHE]G:507 |
9 |
1 |
377 |
f |
G |
x,y,z |
1_555 |
18 |
8 |
9612 |
114.7 |
1.8 |
0.133 |
6 |
0 |
0 |
0.214 |
36 |
|
[NHE]C:503 |
9 |
1 |
374 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
9664 |
113.1 |
0.8 |
0.111 |
7 |
0 |
0 |
0.214 |
Average: |
116.6 |
1.6 |
0.139 |
6 |
0 |
0 |
0.214 |
10 |
37 |
|
F |
16 |
3 |
9730 |
◊ |
E |
-x,y,-z |
2_555 |
12 |
4 |
9620 |
120.7 |
-1.5 |
0.398 |
1 |
1 |
0 |
0.000 |
11 |
38 |
|
[CXP]K:1 |
8 |
1 |
319 |
◊ |
C |
x,y,z |
1_555 |
12 |
5 |
9664 |
107.6 |
3.6 |
0.031 |
0 |
0 |
0 |
0.000 |
39 |
|
[CXP]M:1 |
8 |
1 |
318 |
◊ |
E |
x,y,z |
1_555 |
16 |
5 |
9620 |
104.8 |
3.1 |
0.018 |
0 |
0 |
0 |
0.000 |
40 |
|
[CXP]I:1 |
8 |
1 |
317 |
◊ |
A |
x,y,z |
1_555 |
13 |
6 |
9577 |
103.8 |
3.4 |
0.016 |
0 |
0 |
0 |
0.000 |
Average: |
105.4 |
3.4 |
0.022 |
0 |
0 |
0 |
0.000 |
12 |
41 |
|
F |
12 |
3 |
9730 |
◊ |
D |
-x,y,-z+1 |
2_556 |
10 |
3 |
9684 |
107.0 |
3.9 |
0.965 |
3 |
4 |
0 |
0.000 |
42 |
|
G |
10 |
3 |
9612 |
◊ |
C |
-x,y,-z+1 |
2_556 |
10 |
3 |
9664 |
100.0 |
3.5 |
0.963 |
2 |
5 |
0 |
0.000 |
43 |
|
B |
9 |
3 |
9635 |
◊ |
A |
-x,y,-z+1 |
2_556 |
10 |
3 |
9577 |
93.3 |
3.2 |
0.952 |
3 |
3 |
0 |
0.000 |
44 |
|
E |
12 |
3 |
9620 |
◊ |
E |
-x,y,-z+1 |
2_556 |
12 |
3 |
9620 |
92.5 |
2.8 |
0.931 |
4 |
4 |
0 |
0.000 |
Average: |
98.2 |
3.3 |
0.953 |
3 |
4 |
0 |
0.000 |
13 |
45 |
|
[CXP]H:1 |
9 |
1 |
315 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
9577 |
102.2 |
1.9 |
0.001 |
0 |
0 |
0 |
0.000 |
46 |
|
[CXP]J:1 |
9 |
1 |
317 |
◊ |
E |
x,y,z |
1_555 |
14 |
5 |
9620 |
98.7 |
1.7 |
0.001 |
0 |
0 |
0 |
0.000 |
Average: |
100.5 |
1.8 |
0.001 |
0 |
0 |
0 |
0.000 |
14 |
47 |
|
[CXP]H:1 |
8 |
1 |
315 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
9635 |
101.6 |
3.1 |
0.011 |
0 |
0 |
0 |
0.000 |
48 |
|
[CXP]J:1 |
8 |
1 |
317 |
◊ |
F |
x,y,z |
1_555 |
13 |
5 |
9730 |
96.3 |
2.7 |
0.008 |
0 |
0 |
0 |
0.000 |
Average: |
98.9 |
2.9 |
0.010 |
0 |
0 |
0 |
0.000 |
15 |
49 |
|
[CXP]I:1 |
9 |
1 |
317 |
◊ |
G |
x,y,z |
1_555 |
15 |
7 |
9612 |
101.5 |
2.0 |
0.001 |
0 |
0 |
0 |
0.000 |
50 |
|
[CXP]M:1 |
10 |
1 |
318 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
9684 |
101.5 |
2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
|
[CXP]K:1 |
9 |
1 |
319 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
9635 |
96.4 |
1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
99.8 |
2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
16 |
52 |
|
[CXP]N:1 |
8 |
1 |
321 |
◊ |
F |
x,y,z |
1_555 |
13 |
6 |
9730 |
100.6 |
1.8 |
0.002 |
0 |
0 |
0 |
0.000 |
17 |
53 |
|
[CXP]L:1 |
8 |
1 |
316 |
◊ |
D |
x,y,z |
1_555 |
12 |
5 |
9684 |
100.0 |
3.0 |
0.009 |
0 |
0 |
0 |
0.000 |
18 |
54 |
|
[NHE]D:504 |
7 |
1 |
374 |
◊ |
E |
x,y,z |
1_555 |
8 |
5 |
9620 |
99.7 |
2.2 |
0.215 |
0 |
0 |
0 |
0.000 |
55 |
|
[NHE]B:502 |
7 |
1 |
376 |
◊ |
C |
x,y,z |
1_555 |
10 |
6 |
9664 |
93.6 |
2.1 |
0.240 |
0 |
0 |
0 |
0.000 |
Average: |
96.6 |
2.1 |
0.227 |
0 |
0 |
0 |
0.000 |
19 |
56 |
|
[CXP]L:1 |
10 |
1 |
316 |
◊ |
C |
x,y,z |
1_555 |
16 |
7 |
9664 |
99.4 |
1.8 |
0.461 |
0 |
0 |
0 |
0.000 |
20 |
57 |
|
[NHE]C:503 |
9 |
1 |
374 |
◊ |
D |
x,y,z |
1_555 |
11 |
6 |
9684 |
99.3 |
1.6 |
0.142 |
0 |
0 |
0 |
0.000 |
58 |
|
[NHE]A:501 |
7 |
1 |
375 |
◊ |
B |
x,y,z |
1_555 |
10 |
6 |
9635 |
97.2 |
1.3 |
0.183 |
0 |
0 |
0 |
0.000 |
59 |
|
[NHE]E:505 |
7 |
1 |
371 |
◊ |
F |
x,y,z |
1_555 |
9 |
5 |
9730 |
94.9 |
1.3 |
0.167 |
0 |
0 |
0 |
0.000 |
60 |
|
[NHE]G:507 |
7 |
1 |
377 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
9577 |
93.3 |
1.3 |
0.166 |
0 |
0 |
0 |
0.000 |
61 |
|
[NHE]F:506 |
8 |
1 |
376 |
◊ |
G |
x,y,z |
1_555 |
10 |
6 |
9612 |
92.2 |
1.3 |
0.137 |
0 |
0 |
0 |
0.000 |
Average: |
95.4 |
1.4 |
0.159 |
0 |
0 |
0 |
0.000 |
21 |
62 |
|
[CXP]N:1 |
8 |
1 |
321 |
◊ |
G |
x,y,z |
1_555 |
13 |
5 |
9612 |
95.6 |
2.9 |
0.008 |
0 |
0 |
0 |
0.000 |
22 |
63 |
|
[CXP]N:1 |
8 |
1 |
321 |
cf |
N |
x,y,z |
1_555 |
11 |
3 |
839 |
90.5 |
2.6 |
0.003 |
0 |
0 |
0 |
0.000 |
23 |
64 |
|
C |
10 |
5 |
9664 |
◊ |
C |
-x-1,y,-z |
2_455 |
10 |
5 |
9664 |
87.6 |
1.0 |
0.805 |
0 |
2 |
0 |
0.000 |
24 |
65 |
|
[CXP]L:1 |
6 |
1 |
316 |
cf |
L |
x,y,z |
1_555 |
11 |
4 |
842 |
82.7 |
2.6 |
0.047 |
0 |
0 |
0 |
0.000 |
66 |
|
[CXP]H:1 |
6 |
1 |
315 |
cf |
H |
x,y,z |
1_555 |
11 |
3 |
839 |
77.9 |
2.4 |
0.035 |
0 |
0 |
0 |
0.000 |
Average: |
80.3 |
2.5 |
0.041 |
0 |
0 |
0 |
0.000 |
25 |
67 |
|
[CXP]I:1 |
6 |
1 |
317 |
cf |
I |
x,y,z |
1_555 |
10 |
3 |
833 |
79.6 |
2.4 |
0.041 |
0 |
0 |
0 |
0.000 |
68 |
|
[CXP]K:1 |
6 |
1 |
319 |
cf |
K |
x,y,z |
1_555 |
10 |
3 |
842 |
77.7 |
2.4 |
0.040 |
0 |
0 |
0 |
0.000 |
Average: |
78.7 |
2.4 |
0.041 |
0 |
0 |
0 |
0.000 |
26 |
69 |
|
I |
9 |
3 |
833 |
◊ |
A |
-x,y,-z |
2_555 |
12 |
3 |
9577 |
78.6 |
-0.6 |
0.688 |
0 |
0 |
0 |
0.000 |
27 |
70 |
|
[CXP]M:1 |
6 |
1 |
318 |
cf |
M |
x,y,z |
1_555 |
10 |
3 |
844 |
77.4 |
2.3 |
0.041 |
0 |
0 |
0 |
0.000 |
28 |
71 |
|
[CXP]J:1 |
6 |
1 |
317 |
cf |
J |
x,y,z |
1_555 |
12 |
4 |
833 |
74.8 |
2.3 |
0.053 |
0 |
0 |
0 |
0.000 |
29 |
72 |
|
A |
4 |
3 |
9577 |
◊ |
A |
-x,y,-z |
2_555 |
4 |
3 |
9577 |
52.9 |
3.4 |
0.981 |
0 |
0 |
0 |
0.000 |
30 |
73 |
|
G |
5 |
2 |
9612 |
◊ |
G |
-x,y,-z |
2_555 |
5 |
2 |
9612 |
43.9 |
0.8 |
0.828 |
0 |
0 |
0 |
0.000 |
31 |
74 |
|
B |
7 |
2 |
9635 |
◊ |
E |
-x-1/2,y-1/2,-z |
4_445 |
7 |
4 |
9620 |
36.0 |
-0.1 |
0.634 |
0 |
0 |
0 |
0.000 |
32 |
75 |
|
G |
3 |
1 |
9612 |
◊ |
B |
-x,y,-z |
2_555 |
2 |
1 |
9635 |
30.3 |
0.9 |
0.897 |
1 |
1 |
0 |
0.000 |
33 |
76 |
|
[CXP]J:1 |
3 |
1 |
317 |
◊ |
F |
-x,y,-z |
2_555 |
2 |
1 |
9730 |
28.6 |
1.2 |
0.059 |
0 |
0 |
0 |
0.000 |
34 |
77 |
|
F |
3 |
2 |
9730 |
◊ |
B |
-x,y,-z+1 |
2_556 |
4 |
2 |
9635 |
26.9 |
0.8 |
0.858 |
0 |
0 |
0 |
0.000 |
78 |
|
D |
5 |
2 |
9684 |
◊ |
D |
-x,y,-z+1 |
2_556 |
5 |
2 |
9684 |
17.9 |
0.5 |
0.769 |
0 |
0 |
0 |
0.000 |
79 |
|
E |
2 |
2 |
9620 |
◊ |
C |
-x,y,-z+1 |
2_556 |
4 |
2 |
9664 |
14.2 |
0.4 |
0.777 |
0 |
0 |
0 |
0.000 |
80 |
|
G |
1 |
1 |
9612 |
◊ |
A |
-x,y,-z+1 |
2_556 |
5 |
2 |
9577 |
5.5 |
0.1 |
0.727 |
0 |
0 |
0 |
0.000 |
Average: |
16.1 |
0.4 |
0.783 |
0 |
0 |
0 |
0.000 |
35 |
81 |
|
H |
4 |
2 |
839 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
9684 |
21.3 |
-0.7 |
0.263 |
0 |
0 |
0 |
0.000 |
36 |
82 |
|
H |
2 |
1 |
839 |
◊ |
M |
-x-1/2,y-1/2,-z |
4_445 |
1 |
1 |
844 |
19.2 |
-0.6 |
0.392 |
0 |
0 |
0 |
0.000 |
37 |
83 |
|
D |
2 |
1 |
9684 |
◊ |
D |
-x-1,y,-z |
2_455 |
2 |
1 |
9684 |
14.5 |
-0.0 |
0.639 |
0 |
0 |
0 |
0.000 |
38 |
84 |
|
D |
2 |
1 |
9684 |
◊ |
C |
-x-1,y,-z |
2_455 |
2 |
1 |
9664 |
11.3 |
-0.3 |
0.404 |
0 |
0 |
0 |
0.000 |
39 |
85 |
|
A |
1 |
1 |
9577 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
4 |
1 |
9730 |
8.0 |
0.4 |
0.795 |
0 |
0 |
0 |
0.000 |
40 |
86 |
|
B |
1 |
1 |
9635 |
◊ |
D |
-x-1/2,y-1/2,-z |
4_445 |
2 |
2 |
9684 |
6.6 |
0.2 |
0.713 |
0 |
0 |
0 |
0.000 |
41 |
87 |
|
[CXP]I:1 |
1 |
1 |
317 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
9577 |
1.1 |
0.1 |
0.879 |
0 |
0 |
0 |
0.000 |
|