| ## |
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 |
|
C |
70 |
7 |
1132 |
◊ |
A |
x,y,z |
1_555 |
94 |
35 |
16720 |
752.8 |
-16.0 |
0.295 |
5 |
0 |
0 |
0.118 |
2 |
|
D |
68 |
7 |
1127 |
◊ |
B |
x,y,z |
1_555 |
90 |
32 |
16394 |
735.9 |
-15.1 |
0.350 |
6 |
0 |
0 |
0.118 |
| Average: |
744.3 |
-15.6 |
0.322 |
6 |
0 |
0 |
0.118 |
| 2 |
3 |
|
B |
67 |
18 |
16394 |
◊ |
A |
x,y,z |
1_555 |
63 |
23 |
16720 |
587.7 |
-6.2 |
0.512 |
4 |
5 |
0 |
0.000 |
| 3 |
4 |
|
B |
45 |
12 |
16394 |
x |
B |
-x,y-1/2,-z+1 |
2_546 |
53 |
15 |
16394 |
423.3 |
-9.4 |
0.102 |
1 |
0 |
0 |
0.000 |
| 4 |
5 |
|
A |
39 |
13 |
16720 |
x |
A |
-x+1,y-1/2,-z+2 |
2_647 |
43 |
14 |
16720 |
405.5 |
-6.2 |
0.273 |
2 |
3 |
0 |
0.000 |
| 5 |
6 |
|
[TYD]A:1003 |
25 |
1 |
560 |
f |
A |
x,y,z |
1_555 |
58 |
23 |
16720 |
388.3 |
-13.0 |
0.420 |
14 |
0 |
0 |
0.125 |
7 |
|
[TYD]B:1004 |
25 |
1 |
558 |
f |
B |
x,y,z |
1_555 |
57 |
22 |
16394 |
383.9 |
-12.9 |
0.430 |
14 |
0 |
0 |
0.125 |
| Average: |
386.1 |
-12.9 |
0.425 |
14 |
0 |
0 |
0.125 |
| 6 |
8 |
|
[BGC]C:8 |
11 |
1 |
297 |
◊ |
A |
x,y,z |
1_555 |
25 |
12 |
16720 |
158.4 |
2.1 |
0.468 |
3 |
0 |
0 |
0.000 |
9 |
|
[BGC]D:8 |
11 |
1 |
295 |
◊ |
B |
x,y,z |
1_555 |
26 |
12 |
16394 |
156.7 |
2.1 |
0.423 |
2 |
0 |
0 |
0.000 |
| Average: |
157.5 |
2.1 |
0.446 |
3 |
0 |
0 |
0.000 |
| 7 |
10 |
|
B |
18 |
5 |
16394 |
◊ |
A |
x-1,y,z |
1_455 |
12 |
6 |
16720 |
152.3 |
-2.2 |
0.192 |
0 |
0 |
0 |
0.000 |
| 8 |
11 |
|
A |
10 |
4 |
16720 |
x |
A |
x-1,y,z |
1_455 |
16 |
8 |
16720 |
115.5 |
-2.9 |
0.173 |
0 |
0 |
0 |
0.000 |
| 9 |
12 |
|
[GOL]A:1005 |
6 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
15 |
8 |
16720 |
105.1 |
-0.3 |
0.582 |
2 |
0 |
0 |
0.000 |
| 10 |
13 |
|
[GOL]A:1006 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
21 |
11 |
16720 |
98.6 |
-0.5 |
0.635 |
6 |
0 |
0 |
0.020 |
| 11 |
14 |
|
[GOL]B:1007 |
6 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
16394 |
96.9 |
-0.5 |
0.555 |
5 |
0 |
0 |
0.018 |
| 12 |
15 |
|
[K]B:417 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
17 |
9 |
16394 |
86.1 |
-61.7 |
0.000 |
0 |
0 |
0 |
0.405 |
16 |
|
[K]A:417 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
16720 |
85.9 |
-61.6 |
0.000 |
0 |
0 |
0 |
0.405 |
| Average: |
86.0 |
-61.7 |
0.000 |
0 |
0 |
0 |
0.405 |
| 13 |
17 |
|
[GOL]A:1005 |
6 |
1 |
219 |
f |
A |
-x+1,y-1/2,-z+2 |
2_647 |
13 |
5 |
16720 |
81.4 |
-1.1 |
0.428 |
1 |
0 |
0 |
0.010 |
| 14 |
18 |
|
B |
15 |
8 |
16394 |
x |
B |
x-1,y,z |
1_455 |
11 |
4 |
16394 |
80.4 |
-0.5 |
0.679 |
0 |
0 |
0 |
0.000 |
| 15 |
19 |
|
[BGC]D:8 |
7 |
1 |
295 |
cf |
D |
x,y,z |
1_555 |
9 |
4 |
1127 |
78.9 |
-1.7 |
0.221 |
0 |
0 |
0 |
0.100 |
20 |
|
[BGC]C:8 |
8 |
1 |
297 |
cf |
C |
x,y,z |
1_555 |
8 |
3 |
1132 |
77.8 |
-1.9 |
0.200 |
0 |
0 |
0 |
0.100 |
| Average: |
78.4 |
-1.8 |
0.210 |
0 |
0 |
0 |
0.100 |
| 16 |
21 |
|
[GOL]B:1007 |
5 |
1 |
221 |
f |
[K]B:417 |
x,y,z |
1_555 |
1 |
1 |
216 |
42.3 |
-20.6 |
0.000 |
0 |
0 |
0 |
0.137 |
22 |
|
[GOL]A:1006 |
5 |
1 |
220 |
f |
[K]A:417 |
x,y,z |
1_555 |
1 |
1 |
216 |
42.3 |
-21.2 |
0.000 |
0 |
0 |
0 |
0.137 |
| Average: |
42.3 |
-20.9 |
0.000 |
0 |
0 |
0 |
0.137 |
| 17 |
23 |
|
[GOL]B:1007 |
6 |
1 |
221 |
f |
[TYD]B:1004 |
x,y,z |
1_555 |
6 |
1 |
558 |
35.3 |
-2.0 |
0.564 |
1 |
0 |
0 |
0.016 |
| 18 |
24 |
|
[GOL]A:1006 |
5 |
1 |
220 |
f |
[TYD]A:1003 |
x,y,z |
1_555 |
5 |
1 |
560 |
35.1 |
-1.9 |
0.560 |
1 |
0 |
0 |
0.015 |
| 19 |
25 |
|
[BGC]C:8 |
3 |
1 |
297 |
◊ |
[GOL]A:1006 |
x,y,z |
1_555 |
4 |
1 |
220 |
27.5 |
0.3 |
0.384 |
1 |
0 |
0 |
0.000 |
| 20 |
26 |
|
[TYD]B:1004 |
4 |
1 |
558 |
f |
[K]B:417 |
x,y,z |
1_555 |
1 |
1 |
216 |
26.5 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.077 |
27 |
|
[TYD]A:1003 |
4 |
1 |
560 |
f |
[K]A:417 |
x,y,z |
1_555 |
1 |
1 |
216 |
26.4 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.077 |
| Average: |
26.5 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.077 |
| 21 |
28 |
|
[BGC]D:8 |
3 |
1 |
295 |
◊ |
[GOL]B:1007 |
x,y,z |
1_555 |
4 |
1 |
221 |
25.3 |
0.3 |
0.371 |
1 |
0 |
0 |
0.000 |
| 22 |
29 |
|
C |
3 |
1 |
1132 |
◊ |
A |
-x+1,y-1/2,-z+2 |
2_647 |
2 |
2 |
16720 |
19.2 |
0.1 |
0.694 |
0 |
0 |
0 |
0.000 |
| 23 |
30 |
|
[BGC]D:8 |
3 |
1 |
295 |
◊ |
[K]B:417 |
x,y,z |
1_555 |
1 |
1 |
216 |
18.6 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.053 |
31 |
|
[BGC]C:8 |
3 |
1 |
297 |
◊ |
[K]A:417 |
x,y,z |
1_555 |
1 |
1 |
216 |
18.0 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.053 |
| Average: |
18.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.053 |
| 24 |
32 |
|
[K]B:417 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
1127 |
17.1 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.049 |
33 |
|
[K]A:417 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
1132 |
15.4 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.049 |
| Average: |
16.2 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.049 |
| 25 |
34 |
|
[BGC]D:8 |
1 |
1 |
295 |
◊ |
[TYD]B:1004 |
x,y,z |
1_555 |
1 |
1 |
558 |
0.4 |
-0.0 |
0.319 |
0 |
0 |
0 |
0.000 |
|