## |
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 |
160 |
41 |
20209 |
◊ |
F |
x,y,z-1 |
1_554 |
156 |
41 |
17150 |
1554.8 |
-13.2 |
0.221 |
20 |
8 |
0 |
0.987 |
2 |
2 |
|
B |
156 |
47 |
20209 |
◊ |
A |
x,y,z |
1_555 |
151 |
46 |
20162 |
1505.6 |
-22.5 |
0.039 |
8 |
7 |
0 |
1.000 |
3 |
|
F |
74 |
25 |
17150 |
◊ |
E |
x,y,z |
1_555 |
75 |
25 |
17332 |
740.4 |
-10.3 |
0.084 |
4 |
0 |
0 |
1.000 |
Average: |
1123.0 |
-16.4 |
0.062 |
6 |
4 |
0 |
1.000 |
3 |
4 |
|
H |
99 |
22 |
5007 |
◊ |
G |
x,y,z |
1_555 |
97 |
22 |
5007 |
963.6 |
-12.0 |
0.736 |
46 |
0 |
0 |
0.832 |
5 |
|
D |
100 |
22 |
4993 |
◊ |
C |
x,y,z |
1_555 |
100 |
22 |
5010 |
956.9 |
-11.3 |
0.767 |
48 |
0 |
0 |
0.832 |
Average: |
960.3 |
-11.6 |
0.751 |
47 |
0 |
0 |
0.832 |
4 |
6 |
|
E |
100 |
31 |
17332 |
◊ |
A |
x,y,z |
1_555 |
105 |
32 |
20162 |
914.6 |
-0.8 |
0.641 |
14 |
3 |
0 |
0.152 |
5 |
7 |
|
C |
95 |
15 |
5010 |
◊ |
A |
x,y,z |
1_555 |
70 |
21 |
20162 |
781.4 |
-1.5 |
0.825 |
18 |
0 |
0 |
0.244 |
8 |
|
G |
93 |
15 |
5007 |
◊ |
E |
x,y,z |
1_555 |
74 |
22 |
17332 |
772.8 |
-0.3 |
0.840 |
16 |
0 |
0 |
0.244 |
Average: |
777.1 |
-0.9 |
0.832 |
17 |
0 |
0 |
0.244 |
6 |
9 |
|
H |
81 |
14 |
5007 |
◊ |
E |
x,y,z |
1_555 |
94 |
34 |
17332 |
762.7 |
-6.2 |
0.647 |
12 |
0 |
0 |
0.796 |
10 |
|
D |
86 |
15 |
4993 |
◊ |
A |
x,y,z |
1_555 |
92 |
32 |
20162 |
754.7 |
-7.2 |
0.679 |
12 |
0 |
0 |
0.796 |
Average: |
758.7 |
-6.7 |
0.663 |
12 |
0 |
0 |
0.796 |
7 |
11 |
|
H |
89 |
15 |
5007 |
◊ |
F |
x,y,z |
1_555 |
73 |
21 |
17150 |
739.5 |
-0.8 |
0.849 |
15 |
0 |
0 |
0.216 |
12 |
|
D |
86 |
15 |
4993 |
◊ |
B |
x,y,z |
1_555 |
71 |
21 |
20209 |
711.2 |
-1.3 |
0.844 |
14 |
0 |
0 |
0.216 |
Average: |
725.3 |
-1.0 |
0.847 |
15 |
0 |
0 |
0.216 |
8 |
13 |
|
C |
75 |
13 |
5010 |
◊ |
B |
x,y,z |
1_555 |
84 |
26 |
20209 |
682.3 |
-4.6 |
0.707 |
10 |
0 |
0 |
0.270 |
14 |
|
G |
74 |
13 |
5007 |
◊ |
F |
x,y,z |
1_555 |
82 |
27 |
17150 |
678.8 |
-2.8 |
0.762 |
12 |
0 |
0 |
0.270 |
Average: |
680.5 |
-3.7 |
0.735 |
11 |
0 |
0 |
0.270 |
9 |
15 |
|
A |
44 |
16 |
20162 |
◊ |
F |
x,y-1,z |
1_545 |
49 |
17 |
17150 |
457.3 |
-1.1 |
0.570 |
8 |
0 |
0 |
0.106 |
10 |
16 |
|
B |
49 |
15 |
20209 |
◊ |
E |
x,y-1,z |
1_545 |
49 |
12 |
17332 |
437.8 |
1.1 |
0.640 |
7 |
6 |
0 |
0.065 |
11 |
17 |
|
F |
33 |
9 |
17150 |
◊ |
A |
x,y,z |
1_555 |
38 |
11 |
20162 |
300.3 |
-3.6 |
0.267 |
1 |
0 |
0 |
0.137 |
18 |
|
B |
30 |
9 |
20209 |
◊ |
E |
x,y,z |
1_555 |
32 |
9 |
17332 |
294.9 |
-1.0 |
0.431 |
3 |
2 |
0 |
0.137 |
Average: |
297.6 |
-2.3 |
0.349 |
2 |
1 |
0 |
0.137 |
12 |
19 |
|
[CIT]F:6 |
11 |
1 |
318 |
f |
F |
x,y,z |
1_555 |
24 |
10 |
17150 |
171.9 |
1.0 |
0.506 |
2 |
0 |
0 |
0.000 |
13 |
20 |
|
[CIT]B:4 |
11 |
1 |
317 |
f |
B |
x,y,z |
1_555 |
26 |
7 |
20209 |
144.0 |
0.4 |
0.434 |
2 |
0 |
0 |
0.100 |
14 |
21 |
|
[CIT]A:3 |
12 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
17 |
8 |
20162 |
142.3 |
1.5 |
0.405 |
3 |
0 |
0 |
0.000 |
15 |
22 |
|
A |
17 |
4 |
20162 |
◊ |
F |
x,y,z-1 |
1_554 |
15 |
4 |
17150 |
139.2 |
0.3 |
0.511 |
2 |
0 |
0 |
0.010 |
16 |
23 |
|
[CIT]A:1 |
11 |
1 |
314 |
◊ |
A |
x,y,z |
1_555 |
19 |
9 |
20162 |
120.9 |
2.7 |
0.664 |
3 |
0 |
0 |
0.000 |
17 |
24 |
|
[CIT]E:2 |
11 |
1 |
315 |
◊ |
E |
x,y,z |
1_555 |
18 |
8 |
17332 |
118.7 |
2.2 |
0.556 |
4 |
0 |
0 |
0.000 |
18 |
25 |
|
B |
13 |
7 |
20209 |
◊ |
F |
x,y-1,z-1 |
1_544 |
9 |
2 |
17150 |
116.2 |
-0.5 |
0.509 |
1 |
0 |
0 |
0.012 |
19 |
26 |
|
[CIT]B:4 |
10 |
1 |
317 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
20162 |
109.3 |
2.0 |
0.568 |
1 |
0 |
0 |
0.000 |
20 |
27 |
|
[CIT]E:2 |
7 |
1 |
315 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
20162 |
83.3 |
0.5 |
0.433 |
1 |
0 |
0 |
0.000 |
21 |
28 |
|
[CIT]A:1 |
7 |
1 |
314 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
17332 |
80.0 |
0.3 |
0.451 |
1 |
0 |
0 |
0.100 |
22 |
29 |
|
H |
12 |
1 |
5007 |
x |
H |
x-1,y,z |
1_455 |
12 |
1 |
5007 |
79.7 |
2.6 |
0.831 |
0 |
0 |
0 |
0.000 |
30 |
|
G |
12 |
1 |
5007 |
x |
G |
x-1,y,z |
1_455 |
11 |
1 |
5007 |
78.7 |
2.5 |
0.829 |
0 |
0 |
0 |
0.000 |
31 |
|
D |
11 |
1 |
4993 |
x |
D |
x-1,y,z |
1_455 |
11 |
1 |
4993 |
75.7 |
1.8 |
0.795 |
0 |
0 |
0 |
0.000 |
32 |
|
C |
12 |
1 |
5010 |
x |
C |
x-1,y,z |
1_455 |
9 |
1 |
5010 |
75.0 |
2.5 |
0.836 |
0 |
0 |
0 |
0.000 |
Average: |
77.3 |
2.3 |
0.823 |
0 |
0 |
0 |
0.000 |
23 |
33 |
|
E |
7 |
4 |
17332 |
◊ |
F |
x,y-1,z |
1_545 |
4 |
3 |
17150 |
70.8 |
-1.4 |
0.176 |
0 |
0 |
0 |
0.021 |
24 |
34 |
|
D |
9 |
1 |
4993 |
◊ |
C |
x-1,y,z |
1_455 |
9 |
1 |
5010 |
69.5 |
1.2 |
0.751 |
0 |
0 |
0 |
0.000 |
35 |
|
H |
10 |
1 |
5007 |
◊ |
G |
x-1,y,z |
1_455 |
9 |
1 |
5007 |
68.4 |
1.3 |
0.753 |
0 |
0 |
0 |
0.000 |
Average: |
69.0 |
1.3 |
0.752 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
D |
6 |
2 |
4993 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
17332 |
63.4 |
-1.6 |
0.353 |
2 |
0 |
0 |
0.040 |
37 |
|
H |
8 |
2 |
5007 |
◊ |
A |
x,y,z |
1_555 |
5 |
1 |
20162 |
41.6 |
-1.5 |
0.459 |
0 |
0 |
0 |
0.040 |
Average: |
52.5 |
-1.5 |
0.406 |
1 |
0 |
0 |
0.040 |
26 |
38 |
|
[CIT]A:1 |
4 |
1 |
314 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
17150 |
29.4 |
0.5 |
0.499 |
0 |
0 |
0 |
0.000 |
27 |
39 |
|
[CIT]E:2 |
4 |
1 |
315 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
20209 |
22.7 |
0.9 |
0.558 |
0 |
0 |
0 |
0.000 |
28 |
40 |
|
[ZN]F:501 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
2 |
1 |
5007 |
9.8 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.214 |
41 |
|
[ZN]B:501 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
4993 |
8.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.214 |
42 |
|
[ZN]A:501 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
5010 |
8.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.214 |
43 |
|
[ZN]E:501 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
2 |
1 |
5007 |
8.2 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.214 |
Average: |
8.8 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.214 |
|