| ## |
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 |
|
D |
179 |
51 |
17124 |
◊ |
C |
x,y,z |
1_555 |
176 |
45 |
6893 |
1650.5 |
-13.8 |
0.261 |
25 |
11 |
0 |
1.000 |
2 |
|
F |
181 |
53 |
17068 |
◊ |
E |
x,y,z |
1_555 |
163 |
41 |
6677 |
1632.1 |
-12.8 |
0.325 |
25 |
13 |
0 |
1.000 |
| Average: |
1641.3 |
-13.3 |
0.293 |
25 |
12 |
0 |
1.000 |
| 2 |
3 |
|
F |
127 |
36 |
17068 |
◊ |
C |
x,y,z |
1_555 |
134 |
43 |
6893 |
1264.6 |
-9.9 |
0.113 |
20 |
4 |
0 |
0.432 |
4 |
|
D |
127 |
37 |
17124 |
◊ |
E |
x,y,z |
1_555 |
132 |
42 |
6677 |
1263.4 |
-9.0 |
0.121 |
23 |
4 |
0 |
0.432 |
| Average: |
1264.0 |
-9.4 |
0.117 |
22 |
4 |
0 |
0.432 |
| 3 |
5 |
|
C |
89 |
30 |
6893 |
◊ |
A |
x,y,z |
1_555 |
76 |
26 |
16110 |
838.5 |
-8.8 |
0.217 |
11 |
4 |
0 |
0.100 |
6 |
|
E |
82 |
23 |
6677 |
◊ |
B |
x,y,z |
1_555 |
78 |
27 |
16315 |
829.1 |
-7.9 |
0.276 |
13 |
4 |
0 |
0.100 |
| Average: |
833.8 |
-8.3 |
0.246 |
12 |
4 |
0 |
0.100 |
| 4 |
7 |
|
F |
70 |
21 |
17068 |
◊ |
D |
x,y,z |
1_555 |
69 |
20 |
17124 |
658.3 |
-2.9 |
0.488 |
6 |
14 |
0 |
0.084 |
| 5 |
8 |
|
[HEC]B:500 |
43 |
1 |
849 |
cf |
B |
x,y,z |
1_555 |
80 |
33 |
16315 |
612.0 |
-21.8 |
0.361 |
4 |
0 |
0 |
0.164 |
9 |
|
[HEC]A:500 |
43 |
1 |
847 |
cf |
A |
x,y,z |
1_555 |
82 |
33 |
16110 |
611.1 |
-21.6 |
0.384 |
4 |
0 |
0 |
0.164 |
| Average: |
611.5 |
-21.7 |
0.372 |
4 |
0 |
0 |
0.164 |
| 6 |
10 |
|
[HEC]A:600 |
43 |
1 |
847 |
cf |
A |
x,y,z |
1_555 |
80 |
33 |
16110 |
609.9 |
-24.2 |
0.193 |
3 |
0 |
0 |
0.178 |
11 |
|
[HEC]B:600 |
43 |
1 |
839 |
cf |
B |
x,y,z |
1_555 |
83 |
33 |
16315 |
608.7 |
-24.0 |
0.201 |
3 |
0 |
0 |
0.178 |
| Average: |
609.3 |
-24.1 |
0.197 |
3 |
0 |
0 |
0.178 |
| 7 |
12 |
|
F |
41 |
13 |
17068 |
◊ |
B |
x,y,z |
1_555 |
40 |
12 |
16315 |
402.7 |
0.3 |
0.676 |
4 |
4 |
0 |
0.015 |
13 |
|
D |
43 |
14 |
17124 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
16110 |
394.0 |
-0.2 |
0.627 |
4 |
1 |
0 |
0.015 |
| Average: |
398.3 |
0.0 |
0.651 |
4 |
3 |
0 |
0.015 |
| 8 |
14 |
|
F |
50 |
17 |
17068 |
◊ |
A |
x,y,z-1 |
1_554 |
42 |
16 |
16110 |
380.4 |
-4.5 |
0.262 |
2 |
0 |
0 |
0.000 |
| 9 |
15 |
|
A |
42 |
15 |
16110 |
◊ |
B |
x,y-1,z+1 |
1_546 |
39 |
12 |
16315 |
327.0 |
1.6 |
0.800 |
0 |
6 |
0 |
0.000 |
| 10 |
16 |
|
E |
40 |
13 |
6677 |
◊ |
B |
x-1,y,z |
1_455 |
29 |
10 |
16315 |
293.4 |
-3.5 |
0.291 |
4 |
0 |
0 |
0.000 |
| 11 |
17 |
|
D |
27 |
7 |
17124 |
◊ |
B |
x,y,z |
1_555 |
33 |
8 |
16315 |
274.2 |
0.5 |
0.675 |
7 |
3 |
0 |
0.020 |
18 |
|
F |
28 |
7 |
17068 |
◊ |
A |
x,y,z |
1_555 |
30 |
7 |
16110 |
263.3 |
-0.1 |
0.622 |
5 |
1 |
0 |
0.020 |
| Average: |
268.8 |
0.2 |
0.649 |
6 |
2 |
0 |
0.020 |
| 12 |
19 |
|
C |
25 |
9 |
6893 |
◊ |
A |
x-1,y,z |
1_455 |
27 |
11 |
16110 |
257.1 |
-0.1 |
0.664 |
4 |
0 |
0 |
0.000 |
| 13 |
20 |
|
F |
21 |
7 |
17068 |
x |
F |
x-1,y,z |
1_455 |
21 |
6 |
17068 |
219.9 |
-0.2 |
0.489 |
4 |
1 |
0 |
0.000 |
| 14 |
21 |
|
[PEG]A:374 |
7 |
1 |
261 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
16110 |
162.5 |
5.1 |
0.549 |
2 |
0 |
0 |
0.000 |
| 15 |
22 |
|
[PEG]B:374 |
7 |
1 |
254 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
16315 |
161.9 |
4.7 |
0.531 |
1 |
0 |
0 |
0.000 |
| 16 |
23 |
|
D |
13 |
6 |
17124 |
x |
D |
x-1,y,z |
1_455 |
16 |
6 |
17124 |
128.1 |
-0.2 |
0.598 |
1 |
0 |
0 |
0.000 |
| 17 |
24 |
|
[EDO]B:376 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
17 |
8 |
16315 |
116.2 |
3.9 |
0.522 |
3 |
0 |
0 |
0.000 |
| 18 |
25 |
|
A |
8 |
3 |
16110 |
◊ |
D |
x,y-1,z+1 |
1_546 |
9 |
5 |
17124 |
115.0 |
0.1 |
0.636 |
1 |
2 |
0 |
0.000 |
26 |
|
F |
11 |
5 |
17068 |
◊ |
B |
x,y-1,z+1 |
1_546 |
8 |
3 |
16315 |
113.8 |
-0.5 |
0.406 |
2 |
2 |
0 |
0.000 |
| Average: |
114.4 |
-0.2 |
0.521 |
2 |
2 |
0 |
0.000 |
| 19 |
27 |
|
[EDO]D:387 |
4 |
1 |
193 |
◊ |
D |
x,y,z |
1_555 |
18 |
8 |
17124 |
109.5 |
3.8 |
0.525 |
1 |
0 |
0 |
0.000 |
| 20 |
28 |
|
[PEG]B:375 |
6 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
16315 |
106.1 |
2.4 |
0.296 |
3 |
0 |
0 |
0.000 |
| 21 |
29 |
|
[MES]F:387 |
10 |
1 |
339 |
f |
F |
x,y,z |
1_555 |
15 |
4 |
17068 |
105.0 |
2.3 |
0.033 |
0 |
0 |
0 |
0.000 |
| 22 |
30 |
|
[EDO]F:388 |
4 |
1 |
185 |
◊ |
F |
x,y,z |
1_555 |
10 |
4 |
17068 |
78.8 |
2.5 |
0.923 |
3 |
0 |
0 |
0.000 |
| 23 |
31 |
|
D |
12 |
4 |
17124 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
3 |
16110 |
75.0 |
-0.1 |
0.603 |
1 |
0 |
0 |
0.000 |
| 24 |
32 |
|
D |
11 |
4 |
17124 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
4 |
16315 |
74.7 |
-1.4 |
0.330 |
0 |
0 |
0 |
0.000 |
| 25 |
33 |
|
[MES]F:387 |
6 |
1 |
339 |
◊ |
B |
x,y-1,z+1 |
1_546 |
11 |
5 |
16315 |
73.3 |
2.5 |
0.313 |
0 |
0 |
0 |
0.000 |
| 26 |
34 |
|
[NA]B:402 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
16315 |
65.2 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.073 |
35 |
|
[NA]A:402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
7 |
16110 |
65.2 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.073 |
| Average: |
65.2 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.073 |
| 27 |
36 |
|
[NA]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
16315 |
60.8 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.057 |
37 |
|
[NA]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
16110 |
60.6 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.057 |
| Average: |
60.7 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.057 |
| 28 |
38 |
|
[CA]B:400 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
8 |
16315 |
46.0 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.077 |
39 |
|
[CA]A:400 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
16110 |
45.4 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.077 |
| Average: |
45.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.077 |
| 29 |
40 |
|
[EDO]D:387 |
3 |
1 |
193 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
6893 |
43.3 |
0.9 |
0.766 |
0 |
0 |
0 |
0.000 |
| 30 |
41 |
|
B |
4 |
1 |
16315 |
◊ |
A |
x,y,z-1 |
1_554 |
7 |
4 |
16110 |
40.9 |
-0.1 |
0.601 |
0 |
0 |
0 |
0.000 |
| 31 |
42 |
|
A |
5 |
2 |
16110 |
x |
A |
x-1,y,z |
1_455 |
4 |
3 |
16110 |
36.8 |
-0.5 |
0.368 |
0 |
0 |
0 |
0.000 |
| 32 |
43 |
|
[EDO]F:388 |
2 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
17124 |
30.5 |
0.7 |
0.366 |
0 |
0 |
0 |
0.000 |
| 33 |
44 |
|
A |
4 |
1 |
16110 |
f |
[PEG]B:374 |
x,y-1,z+1 |
1_546 |
2 |
1 |
254 |
13.2 |
0.2 |
0.260 |
0 |
0 |
0 |
0.000 |
| 34 |
45 |
|
[HEC]A:600 |
3 |
1 |
847 |
f |
[CA]A:400 |
x,y,z |
1_555 |
1 |
1 |
85 |
10.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.014 |
46 |
|
[HEC]B:600 |
3 |
1 |
839 |
f |
[CA]B:400 |
x,y,z |
1_555 |
1 |
1 |
85 |
9.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
9.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.014 |
| 35 |
47 |
|
E |
1 |
1 |
6677 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
17068 |
5.7 |
0.2 |
0.793 |
0 |
0 |
0 |
0.000 |
| 36 |
48 |
|
[PEG]A:374 |
1 |
1 |
261 |
f |
B |
x,y-1,z+1 |
1_546 |
2 |
1 |
16315 |
1.6 |
-0.1 |
0.410 |
0 |
0 |
0 |
0.000 |
|