## |
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 |
140 |
32 |
4864 |
◊ |
A |
x,y,z |
1_555 |
183 |
54 |
41672 |
1595.0 |
-9.0 |
0.388 |
27 |
10 |
0 |
0.264 |
2 |
|
D |
144 |
32 |
4892 |
◊ |
C |
x,y,z |
1_555 |
181 |
55 |
42275 |
1580.3 |
-9.2 |
0.377 |
28 |
10 |
0 |
0.264 |
Average: |
1587.7 |
-9.1 |
0.382 |
28 |
10 |
0 |
0.264 |
2 |
3 |
|
A |
60 |
21 |
41672 |
◊ |
C |
-x-1/2,-y,z-1/2 |
2_454 |
68 |
20 |
42275 |
551.0 |
-9.1 |
0.121 |
4 |
2 |
0 |
0.000 |
3 |
4 |
|
[VMX]C:1109 |
26 |
1 |
581 |
cf |
C |
x,y,z |
1_555 |
60 |
29 |
42275 |
407.5 |
2.0 |
0.459 |
7 |
0 |
0 |
0.011 |
5 |
|
[VMX]A:1108 |
25 |
1 |
582 |
cf |
A |
x,y,z |
1_555 |
58 |
26 |
41672 |
395.6 |
1.7 |
0.457 |
6 |
0 |
0 |
0.011 |
Average: |
401.5 |
1.9 |
0.458 |
7 |
0 |
0 |
0.011 |
4 |
6 |
|
D |
39 |
10 |
4892 |
◊ |
A |
x,y,z |
1_555 |
46 |
14 |
41672 |
382.0 |
-1.1 |
0.571 |
2 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
34 |
8 |
41672 |
x |
A |
-x-1/2,-y,z-1/2 |
2_454 |
38 |
13 |
41672 |
336.9 |
-2.8 |
0.417 |
4 |
5 |
0 |
0.000 |
6 |
8 |
|
C |
34 |
12 |
42275 |
x |
C |
-x-3/2,-y,z-1/2 |
2_354 |
35 |
9 |
42275 |
325.7 |
-1.5 |
0.509 |
6 |
8 |
0 |
0.000 |
7 |
9 |
|
A |
27 |
8 |
41672 |
x |
A |
-x,y-1/2,-z-1/2 |
3_544 |
30 |
8 |
41672 |
246.8 |
-1.2 |
0.534 |
2 |
2 |
0 |
0.000 |
8 |
10 |
|
C |
26 |
9 |
42275 |
◊ |
A |
-x-1,y-1/2,-z-1/2 |
3_444 |
25 |
11 |
41672 |
223.2 |
2.2 |
0.705 |
3 |
3 |
0 |
0.000 |
9 |
11 |
|
[MPD]C:1107 |
7 |
1 |
266 |
f |
C |
x,y,z |
1_555 |
36 |
15 |
42275 |
196.7 |
-13.2 |
0.604 |
1 |
0 |
0 |
0.134 |
10 |
12 |
|
[MPD]A:1104 |
7 |
1 |
270 |
f |
A |
x,y,z |
1_555 |
35 |
15 |
41672 |
193.2 |
-13.7 |
0.508 |
1 |
0 |
0 |
0.166 |
11 |
13 |
|
[MPD]C:1104 |
7 |
1 |
279 |
f |
C |
x,y,z |
1_555 |
28 |
12 |
42275 |
180.3 |
-11.5 |
0.680 |
4 |
0 |
0 |
0.130 |
12 |
14 |
|
[MPD]C:1103 |
7 |
1 |
281 |
f |
C |
x,y,z |
1_555 |
31 |
10 |
42275 |
169.3 |
-12.1 |
0.631 |
0 |
0 |
0 |
0.118 |
13 |
15 |
|
[MPD]A:1105 |
7 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
33 |
10 |
41672 |
166.0 |
-11.3 |
0.660 |
0 |
0 |
0 |
0.133 |
14 |
16 |
|
[MPD]A:1106 |
7 |
1 |
276 |
f |
A |
x,y,z |
1_555 |
26 |
7 |
41672 |
165.5 |
-11.2 |
0.555 |
1 |
0 |
0 |
0.137 |
15 |
17 |
|
[MPD]C:1108 |
7 |
1 |
269 |
f |
C |
x,y,z |
1_555 |
23 |
7 |
42275 |
161.4 |
-10.7 |
0.558 |
1 |
0 |
0 |
0.109 |
16 |
18 |
|
[MPD]C:1106 |
7 |
1 |
272 |
f |
C |
x,y,z |
1_555 |
31 |
6 |
42275 |
152.6 |
-9.5 |
0.770 |
1 |
0 |
0 |
0.097 |
17 |
19 |
|
[MPD]A:1107 |
7 |
1 |
273 |
f |
A |
x,y,z |
1_555 |
32 |
6 |
41672 |
152.2 |
-9.4 |
0.778 |
2 |
0 |
0 |
0.121 |
18 |
20 |
|
[TRS]A:1102 |
7 |
1 |
252 |
f |
A |
x,y,z |
1_555 |
24 |
10 |
41672 |
146.3 |
3.4 |
0.185 |
3 |
0 |
0 |
0.000 |
19 |
21 |
|
[TRS]C:1102 |
7 |
1 |
251 |
f |
C |
x,y,z |
1_555 |
19 |
9 |
42275 |
142.0 |
2.5 |
0.176 |
4 |
0 |
0 |
0.000 |
20 |
22 |
|
[MPD]C:1105 |
6 |
1 |
270 |
◊ |
D |
x,y,z |
1_555 |
24 |
10 |
4892 |
129.4 |
-5.7 |
0.891 |
0 |
0 |
0 |
0.056 |
21 |
23 |
|
[MPD]A:1103 |
6 |
1 |
271 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
41672 |
99.6 |
-6.3 |
0.594 |
0 |
0 |
0 |
0.074 |
22 |
24 |
|
[MPD]C:1105 |
6 |
1 |
270 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
42275 |
83.8 |
-4.9 |
0.000 |
2 |
0 |
0 |
0.056 |
23 |
25 |
|
C |
9 |
3 |
42275 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
5 |
4864 |
81.4 |
1.3 |
0.800 |
1 |
1 |
0 |
0.000 |
24 |
26 |
|
[MPD]A:1103 |
3 |
1 |
271 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
4864 |
49.4 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.033 |
25 |
27 |
|
[VMX]A:1108 |
3 |
1 |
582 |
c |
B |
x,y,z |
1_555 |
3 |
1 |
4864 |
42.8 |
-0.6 |
0.196 |
0 |
0 |
0 |
0.007 |
28 |
|
[VMX]C:1109 |
3 |
1 |
581 |
c |
D |
x,y,z |
1_555 |
3 |
1 |
4892 |
42.7 |
-0.6 |
0.189 |
0 |
0 |
0 |
0.007 |
Average: |
42.7 |
-0.6 |
0.192 |
0 |
0 |
0 |
0.007 |
26 |
29 |
|
A |
8 |
2 |
41672 |
f |
[CA]A:1101 |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
85 |
31.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.078 |
30 |
|
[CA]C:1101 |
1 |
1 |
85 |
f |
C |
-x-3/2,-y,z-1/2 |
2_354 |
6 |
2 |
42275 |
30.0 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.078 |
Average: |
30.5 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.078 |
27 |
31 |
|
[CA]A:1101 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
41672 |
30.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
|
[CA]C:1101 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
42275 |
29.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
30.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.000 |
28 |
33 |
|
C |
3 |
1 |
42275 |
◊ |
[MPD]C:1106 |
-x-3/2,-y,z-1/2 |
2_354 |
3 |
1 |
272 |
27.5 |
-0.8 |
0.000 |
1 |
0 |
0 |
0.000 |
29 |
34 |
|
[MPD]A:1107 |
1 |
1 |
273 |
◊ |
A |
-x-1/2,-y,z-1/2 |
2_454 |
4 |
2 |
41672 |
20.0 |
-0.6 |
0.926 |
0 |
0 |
0 |
0.000 |
30 |
35 |
|
C |
2 |
1 |
42275 |
◊ |
A |
x-1,y,z |
1_455 |
1 |
1 |
41672 |
8.2 |
-0.0 |
0.577 |
0 |
0 |
0 |
0.000 |
31 |
36 |
|
C |
3 |
1 |
42275 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
1 |
1 |
41672 |
5.7 |
-0.2 |
0.406 |
0 |
0 |
0 |
0.000 |
|