| ## |
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 |
42 |
22849 |
◊ |
A |
x,y,z |
1_555 |
149 |
44 |
23408 |
1388.2 |
1.4 |
0.870 |
22 |
15 |
0 |
0.000 |
| 2 |
2 |
|
D |
95 |
11 |
3187 |
◊ |
A |
x,y,z |
1_555 |
93 |
31 |
23408 |
901.9 |
-14.0 |
0.372 |
17 |
0 |
0 |
0.811 |
3 |
|
T |
93 |
11 |
3189 |
◊ |
B |
x,y,z |
1_555 |
92 |
30 |
22849 |
901.7 |
-14.3 |
0.382 |
16 |
0 |
0 |
0.811 |
| Average: |
901.8 |
-14.1 |
0.377 |
17 |
0 |
0 |
0.811 |
| 3 |
4 |
|
P |
72 |
9 |
2231 |
◊ |
B |
x,y,z |
1_555 |
72 |
28 |
22849 |
638.7 |
-14.9 |
0.273 |
17 |
0 |
0 |
0.664 |
5 |
|
C |
73 |
9 |
2219 |
◊ |
A |
x,y,z |
1_555 |
74 |
28 |
23408 |
632.5 |
-13.8 |
0.324 |
17 |
0 |
0 |
0.664 |
| Average: |
635.6 |
-14.3 |
0.298 |
17 |
0 |
0 |
0.664 |
| 4 |
6 |
|
T |
41 |
9 |
3189 |
◊ |
P |
x,y,z |
1_555 |
38 |
9 |
2231 |
402.3 |
-4.7 |
0.561 |
25 |
0 |
0 |
1.000 |
7 |
|
D |
41 |
9 |
3187 |
◊ |
C |
x,y,z |
1_555 |
37 |
9 |
2219 |
402.1 |
-4.6 |
0.566 |
24 |
0 |
0 |
1.000 |
| Average: |
402.2 |
-4.7 |
0.563 |
25 |
0 |
0 |
1.000 |
| 5 |
8 |
|
[VKJ]D:5 |
37 |
1 |
766 |
◊ |
A |
x,y,z |
1_555 |
45 |
19 |
23408 |
354.4 |
-2.1 |
0.231 |
2 |
0 |
0 |
0.099 |
9 |
|
[VKJ]T:5 |
38 |
1 |
774 |
◊ |
B |
x,y,z |
1_555 |
39 |
15 |
22849 |
324.7 |
-1.7 |
0.249 |
2 |
0 |
0 |
0.099 |
| Average: |
339.6 |
-1.9 |
0.240 |
2 |
0 |
0 |
0.099 |
| 6 |
10 |
|
B |
37 |
11 |
22849 |
◊ |
A |
-x+1/2,-y,z-1/2 |
2_554 |
35 |
12 |
23408 |
309.9 |
0.5 |
0.739 |
5 |
2 |
0 |
0.000 |
| 7 |
11 |
|
[0KX]A:602 |
27 |
1 |
547 |
f |
A |
x,y,z |
1_555 |
44 |
17 |
23408 |
286.6 |
-1.2 |
0.542 |
9 |
0 |
0 |
0.160 |
12 |
|
[0KX]B:603 |
27 |
1 |
534 |
f |
B |
x,y,z |
1_555 |
45 |
17 |
22849 |
282.2 |
-0.4 |
0.571 |
8 |
0 |
0 |
0.160 |
| Average: |
284.4 |
-0.8 |
0.557 |
9 |
0 |
0 |
0.160 |
| 8 |
13 |
|
[VKJ]T:5 |
30 |
1 |
774 |
cf |
T |
x,y,z |
1_555 |
25 |
3 |
3189 |
206.5 |
4.2 |
0.674 |
0 |
0 |
0 |
0.000 |
14 |
|
[VKJ]D:5 |
28 |
1 |
766 |
cf |
D |
x,y,z |
1_555 |
26 |
3 |
3187 |
204.4 |
4.3 |
0.700 |
0 |
0 |
0 |
0.000 |
| Average: |
205.4 |
4.2 |
0.687 |
0 |
0 |
0 |
0.000 |
| 9 |
15 |
|
A |
28 |
8 |
23408 |
x |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
20 |
9 |
23408 |
183.8 |
-0.6 |
0.582 |
0 |
0 |
0 |
0.000 |
| 10 |
16 |
|
T |
20 |
2 |
3189 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
23408 |
181.2 |
2.9 |
0.704 |
2 |
0 |
0 |
0.000 |
17 |
|
D |
19 |
2 |
3187 |
◊ |
B |
x,y,z |
1_555 |
16 |
9 |
22849 |
161.9 |
2.6 |
0.744 |
2 |
0 |
0 |
0.000 |
| Average: |
171.5 |
2.7 |
0.724 |
2 |
0 |
0 |
0.000 |
| 11 |
18 |
|
B |
16 |
7 |
22849 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
21 |
7 |
23408 |
170.2 |
-0.9 |
0.529 |
1 |
1 |
0 |
0.000 |
| 12 |
19 |
|
P |
15 |
1 |
2231 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
1 |
3187 |
112.0 |
0.8 |
0.677 |
1 |
0 |
0 |
0.000 |
| 13 |
20 |
|
[PEG]B:605 |
7 |
1 |
257 |
◊ |
B |
x,y,z |
1_555 |
20 |
6 |
22849 |
110.7 |
0.6 |
0.208 |
0 |
0 |
0 |
0.000 |
| 14 |
21 |
|
T |
12 |
1 |
3189 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
14 |
1 |
2219 |
106.9 |
0.4 |
0.655 |
0 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[PEG]A:603 |
7 |
1 |
262 |
◊ |
A |
x,y,z |
1_555 |
14 |
8 |
23408 |
99.0 |
2.6 |
0.277 |
1 |
0 |
0 |
0.000 |
| 16 |
23 |
|
[EDO]B:601 |
4 |
1 |
187 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
22849 |
96.6 |
2.4 |
0.437 |
1 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[0KX]A:602 |
13 |
1 |
547 |
◊ |
C |
x,y,z |
1_555 |
15 |
1 |
2219 |
88.5 |
1.9 |
0.725 |
0 |
0 |
0 |
0.000 |
25 |
|
[0KX]B:603 |
13 |
1 |
534 |
◊ |
P |
x,y,z |
1_555 |
14 |
1 |
2231 |
86.0 |
2.3 |
0.732 |
0 |
0 |
0 |
0.000 |
| Average: |
87.3 |
2.1 |
0.729 |
0 |
0 |
0 |
0.000 |
| 18 |
26 |
|
[VKJ]D:5 |
10 |
1 |
766 |
◊ |
[0KX]A:602 |
x,y,z |
1_555 |
8 |
1 |
547 |
75.5 |
1.6 |
0.545 |
3 |
0 |
0 |
0.000 |
27 |
|
[VKJ]T:5 |
9 |
1 |
774 |
◊ |
[0KX]B:603 |
x,y,z |
1_555 |
7 |
1 |
534 |
73.8 |
1.5 |
0.555 |
3 |
0 |
0 |
0.000 |
| Average: |
74.6 |
1.5 |
0.550 |
3 |
0 |
0 |
0.000 |
| 19 |
28 |
|
B |
8 |
4 |
22849 |
◊ |
A |
-x+1/2,-y+1,z-1/2 |
2_564 |
10 |
3 |
23408 |
74.3 |
0.9 |
0.794 |
1 |
0 |
0 |
0.000 |
| 20 |
29 |
|
P |
12 |
1 |
2231 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
12 |
1 |
2219 |
70.7 |
1.5 |
0.751 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[VKJ]T:5 |
14 |
1 |
774 |
◊ |
[PEG]B:604 |
x,y,z |
1_555 |
5 |
1 |
261 |
62.7 |
2.2 |
0.239 |
0 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[VKJ]D:5 |
10 |
1 |
766 |
◊ |
C |
x,y,z |
1_555 |
9 |
1 |
2219 |
61.1 |
0.5 |
0.484 |
1 |
0 |
0 |
0.000 |
32 |
|
[VKJ]T:5 |
9 |
1 |
774 |
◊ |
P |
x,y,z |
1_555 |
9 |
1 |
2231 |
58.9 |
0.6 |
0.496 |
0 |
0 |
0 |
0.000 |
| Average: |
60.0 |
0.5 |
0.490 |
1 |
0 |
0 |
0.000 |
| 23 |
33 |
|
[VKJ]T:5 |
9 |
1 |
774 |
f |
[EDO]B:601 |
x,y,z |
1_555 |
4 |
1 |
187 |
53.7 |
1.2 |
0.502 |
0 |
0 |
0 |
0.000 |
| 24 |
34 |
|
[PEG]B:604 |
5 |
1 |
261 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
22849 |
50.9 |
0.6 |
0.192 |
0 |
0 |
0 |
0.000 |
| 25 |
35 |
|
[PEG]B:604 |
4 |
1 |
261 |
◊ |
T |
x,y,z |
1_555 |
8 |
2 |
3189 |
48.4 |
1.7 |
0.364 |
0 |
0 |
0 |
0.000 |
| 26 |
36 |
|
[PEG]A:603 |
3 |
1 |
262 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
2219 |
46.1 |
1.2 |
0.403 |
0 |
0 |
0 |
0.000 |
| 27 |
37 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
23408 |
35.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.183 |
38 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
22849 |
34.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.183 |
| Average: |
35.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.183 |
| 28 |
39 |
|
[0KX]B:603 |
5 |
1 |
534 |
f |
[MG]B:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.204 |
40 |
|
[0KX]A:602 |
4 |
1 |
547 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.6 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.204 |
| Average: |
34.1 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.204 |
| 29 |
41 |
|
T |
3 |
1 |
3189 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
3187 |
19.7 |
0.7 |
0.685 |
0 |
0 |
0 |
0.000 |
| 30 |
42 |
|
[PEG]B:605 |
2 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
2 |
1 |
23408 |
12.6 |
0.5 |
0.412 |
0 |
0 |
0 |
0.000 |
| 31 |
43 |
|
T |
2 |
1 |
3189 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
23408 |
3.4 |
0.2 |
0.623 |
0 |
0 |
0 |
0.000 |
| 32 |
44 |
|
B |
1 |
1 |
22849 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
3187 |
2.9 |
0.2 |
0.660 |
0 |
0 |
0 |
0.000 |
| 33 |
45 |
|
[VKJ]D:5 |
1 |
1 |
766 |
f |
[PEG]A:603 |
x,y,z |
1_555 |
1 |
1 |
262 |
0.7 |
0.0 |
0.351 |
0 |
0 |
0 |
0.000 |
| 34 |
46 |
|
[PEG]A:603 |
1 |
1 |
262 |
f |
D |
x,y,z |
1_555 |
1 |
1 |
3187 |
0.5 |
0.0 |
0.359 |
0 |
0 |
0 |
0.000 |
|