## |
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 |
|
G |
387 |
101 |
17128 |
◊ |
E |
x,y,z |
1_555 |
398 |
102 |
17045 |
3669.7 |
-39.7 |
0.089 |
45 |
3 |
0 |
0.279 |
2 |
|
B |
388 |
101 |
17070 |
◊ |
A |
x,y,z |
1_555 |
395 |
101 |
16954 |
3663.5 |
-39.6 |
0.092 |
46 |
4 |
0 |
0.279 |
3 |
|
D |
401 |
103 |
17052 |
◊ |
C |
x,y,z |
1_555 |
390 |
101 |
16996 |
3656.4 |
-39.8 |
0.087 |
43 |
6 |
0 |
0.279 |
4 |
|
H |
385 |
101 |
17009 |
◊ |
F |
x,y,z |
1_555 |
397 |
101 |
17039 |
3654.5 |
-39.9 |
0.090 |
43 |
5 |
0 |
0.279 |
Average: |
3661.0 |
-39.7 |
0.090 |
44 |
5 |
0 |
0.279 |
2 |
5 |
|
C |
95 |
27 |
16996 |
◊ |
B |
x,y,z |
1_555 |
93 |
27 |
17070 |
940.5 |
-13.4 |
0.090 |
6 |
4 |
0 |
0.070 |
6 |
|
H |
93 |
26 |
17009 |
◊ |
G |
x,y,z |
1_555 |
94 |
25 |
17128 |
924.5 |
-13.1 |
0.098 |
6 |
4 |
0 |
0.070 |
7 |
|
F |
91 |
26 |
17039 |
◊ |
E |
x,y,z |
1_555 |
93 |
26 |
17045 |
924.2 |
-12.3 |
0.123 |
7 |
4 |
0 |
0.070 |
8 |
|
D |
88 |
25 |
17052 |
◊ |
A |
x,y,z |
1_555 |
95 |
26 |
16954 |
916.4 |
-13.2 |
0.086 |
6 |
4 |
0 |
0.070 |
Average: |
926.4 |
-13.0 |
0.100 |
6 |
4 |
0 |
0.070 |
3 |
9 |
|
G |
83 |
22 |
17128 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
81 |
21 |
16996 |
698.4 |
-1.9 |
0.698 |
2 |
3 |
0 |
0.000 |
10 |
|
H |
75 |
21 |
17009 |
◊ |
B |
x,y-1,z-1 |
1_544 |
77 |
20 |
17070 |
674.6 |
0.0 |
0.812 |
4 |
2 |
0 |
0.000 |
Average: |
686.5 |
-1.0 |
0.755 |
3 |
3 |
0 |
0.000 |
4 |
11 |
|
G |
49 |
16 |
17128 |
◊ |
B |
x,y,z-1 |
1_554 |
45 |
14 |
17070 |
373.3 |
-4.2 |
0.383 |
5 |
0 |
0 |
0.000 |
5 |
12 |
|
E |
14 |
4 |
17045 |
◊ |
G |
x-1,y,z |
1_455 |
16 |
6 |
17128 |
166.0 |
1.3 |
0.834 |
5 |
0 |
0 |
0.000 |
13 |
|
H |
19 |
7 |
17009 |
◊ |
F |
x-1,y,z |
1_455 |
14 |
5 |
17039 |
159.2 |
-0.5 |
0.580 |
1 |
0 |
0 |
0.000 |
14 |
|
A |
17 |
5 |
16954 |
◊ |
B |
x-1,y,z |
1_455 |
21 |
7 |
17070 |
153.4 |
1.2 |
0.820 |
2 |
0 |
0 |
0.000 |
15 |
|
C |
16 |
7 |
16996 |
◊ |
D |
x-1,y,z |
1_455 |
12 |
4 |
17052 |
151.1 |
0.5 |
0.752 |
2 |
0 |
0 |
0.000 |
Average: |
157.4 |
0.6 |
0.746 |
3 |
0 |
0 |
0.000 |
6 |
16 |
|
H |
15 |
4 |
17009 |
◊ |
E |
x,y,z |
1_555 |
18 |
5 |
17045 |
154.9 |
0.2 |
0.709 |
2 |
2 |
0 |
0.002 |
17 |
|
C |
14 |
4 |
16996 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
16954 |
138.0 |
0.5 |
0.751 |
1 |
2 |
0 |
0.002 |
18 |
|
D |
16 |
5 |
17052 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
17070 |
126.9 |
-0.2 |
0.613 |
1 |
1 |
0 |
0.002 |
19 |
|
G |
15 |
4 |
17128 |
◊ |
F |
x,y,z |
1_555 |
15 |
4 |
17039 |
120.9 |
0.3 |
0.720 |
0 |
0 |
0 |
0.002 |
Average: |
135.2 |
0.2 |
0.698 |
1 |
1 |
0 |
0.002 |
7 |
20 |
|
F |
18 |
5 |
17039 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
16954 |
152.3 |
0.9 |
0.801 |
0 |
0 |
0 |
0.000 |
21 |
|
E |
21 |
5 |
17045 |
◊ |
D |
x,y,z |
1_555 |
18 |
5 |
17052 |
151.3 |
0.9 |
0.799 |
0 |
0 |
0 |
0.000 |
Average: |
151.8 |
0.9 |
0.800 |
0 |
0 |
0 |
0.000 |
8 |
22 |
|
D |
18 |
6 |
17052 |
x |
D |
x-1,y,z |
1_455 |
16 |
6 |
17052 |
129.4 |
-2.2 |
0.311 |
0 |
0 |
0 |
0.000 |
23 |
|
E |
14 |
5 |
17045 |
x |
E |
x-1,y,z |
1_455 |
17 |
7 |
17045 |
121.4 |
-1.8 |
0.370 |
0 |
0 |
0 |
0.000 |
24 |
|
F |
16 |
6 |
17039 |
x |
F |
x-1,y,z |
1_455 |
15 |
6 |
17039 |
106.3 |
-1.9 |
0.361 |
0 |
0 |
0 |
0.000 |
25 |
|
A |
11 |
5 |
16954 |
x |
A |
x-1,y,z |
1_455 |
13 |
5 |
16954 |
88.4 |
-1.6 |
0.341 |
0 |
0 |
0 |
0.000 |
Average: |
111.4 |
-1.9 |
0.346 |
0 |
0 |
0 |
0.000 |
9 |
26 |
|
G |
18 |
7 |
17128 |
◊ |
C |
x,y-1,z-1 |
1_544 |
18 |
8 |
16996 |
128.9 |
-1.7 |
0.421 |
0 |
0 |
0 |
0.000 |
27 |
|
H |
17 |
7 |
17009 |
◊ |
B |
x-1,y-1,z-1 |
1_444 |
15 |
6 |
17070 |
94.5 |
-1.3 |
0.474 |
0 |
0 |
0 |
0.000 |
Average: |
111.7 |
-1.5 |
0.448 |
0 |
0 |
0 |
0.000 |
10 |
28 |
|
A |
14 |
5 |
16954 |
◊ |
C |
x,y-1,z |
1_545 |
17 |
8 |
16996 |
125.3 |
0.0 |
0.686 |
1 |
0 |
0 |
0.000 |
11 |
29 |
|
A |
6 |
2 |
16954 |
◊ |
D |
x,y-1,z |
1_545 |
10 |
3 |
17052 |
61.2 |
-0.5 |
0.531 |
0 |
0 |
0 |
0.000 |
12 |
30 |
|
B |
8 |
3 |
17070 |
◊ |
C |
x,y-1,z |
1_545 |
6 |
2 |
16996 |
50.7 |
1.1 |
0.845 |
0 |
1 |
0 |
0.000 |
13 |
31 |
|
E |
3 |
1 |
17045 |
◊ |
B |
x,y,z-1 |
1_554 |
5 |
2 |
17070 |
47.0 |
1.3 |
0.660 |
1 |
1 |
0 |
0.000 |
32 |
|
G |
3 |
1 |
17128 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
16954 |
14.1 |
0.3 |
0.617 |
0 |
0 |
0 |
0.000 |
Average: |
30.5 |
0.8 |
0.638 |
1 |
1 |
0 |
0.000 |
14 |
33 |
|
[ZN]C:412 |
1 |
1 |
98 |
cf |
C |
x,y,z |
1_555 |
10 |
7 |
16996 |
44.0 |
-33.2 |
0.000 |
0 |
0 |
0 |
0.305 |
34 |
|
[ZN]E:412 |
1 |
1 |
98 |
cf |
E |
x,y,z |
1_555 |
10 |
7 |
17045 |
43.9 |
-33.3 |
0.000 |
0 |
0 |
0 |
0.305 |
35 |
|
[ZN]B:412 |
1 |
1 |
98 |
cf |
B |
x,y,z |
1_555 |
10 |
7 |
17070 |
43.9 |
-33.4 |
0.000 |
0 |
0 |
0 |
0.305 |
36 |
|
[ZN]G:412 |
1 |
1 |
98 |
cf |
G |
x,y,z |
1_555 |
10 |
7 |
17128 |
43.6 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.305 |
37 |
|
[ZN]H:412 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
10 |
7 |
17009 |
43.4 |
-32.8 |
0.000 |
0 |
0 |
0 |
0.305 |
38 |
|
[ZN]A:412 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
16954 |
43.3 |
-32.8 |
0.000 |
0 |
0 |
0 |
0.305 |
39 |
|
[ZN]F:412 |
1 |
1 |
98 |
cf |
F |
x,y,z |
1_555 |
10 |
7 |
17039 |
43.2 |
-32.8 |
0.000 |
0 |
0 |
0 |
0.305 |
40 |
|
[ZN]D:412 |
1 |
1 |
98 |
cf |
D |
x,y,z |
1_555 |
9 |
6 |
17052 |
42.9 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.305 |
Average: |
43.5 |
-33.1 |
0.000 |
0 |
0 |
0 |
0.305 |
15 |
41 |
|
H |
6 |
3 |
17009 |
◊ |
E |
x-1,y-1,z |
1_445 |
3 |
1 |
17045 |
43.8 |
0.4 |
0.688 |
0 |
0 |
0 |
0.000 |
16 |
42 |
|
C |
8 |
2 |
16996 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
2 |
17070 |
40.8 |
0.7 |
0.789 |
0 |
0 |
0 |
0.000 |
43 |
|
H |
6 |
2 |
17009 |
◊ |
G |
x-1,y,z |
1_455 |
6 |
2 |
17128 |
31.5 |
0.6 |
0.780 |
0 |
0 |
0 |
0.000 |
Average: |
36.2 |
0.6 |
0.784 |
0 |
0 |
0 |
0.000 |
17 |
44 |
|
[ZN]C:411 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
12 |
8 |
16996 |
40.8 |
-29.5 |
0.000 |
0 |
0 |
0 |
0.271 |
45 |
|
[ZN]D:411 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
7 |
17052 |
40.7 |
-29.4 |
0.000 |
0 |
0 |
0 |
0.271 |
46 |
|
[ZN]G:411 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
13 |
7 |
17128 |
40.7 |
-29.5 |
0.000 |
0 |
0 |
0 |
0.271 |
47 |
|
[ZN]B:411 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
17070 |
40.7 |
-29.8 |
0.000 |
0 |
0 |
0 |
0.271 |
48 |
|
[ZN]F:411 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
17039 |
40.6 |
-29.7 |
0.000 |
0 |
0 |
0 |
0.271 |
49 |
|
[ZN]A:411 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
16954 |
40.6 |
-29.2 |
0.000 |
0 |
0 |
0 |
0.271 |
50 |
|
[ZN]H:411 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
11 |
7 |
17009 |
40.3 |
-29.3 |
0.000 |
0 |
0 |
0 |
0.271 |
51 |
|
[ZN]E:411 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
12 |
7 |
17045 |
40.3 |
-29.4 |
0.000 |
0 |
0 |
0 |
0.271 |
Average: |
40.6 |
-29.5 |
0.000 |
0 |
0 |
0 |
0.271 |
18 |
52 |
|
F |
6 |
3 |
17039 |
◊ |
E |
x-1,y-1,z |
1_445 |
3 |
1 |
17045 |
32.8 |
0.1 |
0.627 |
0 |
0 |
0 |
0.000 |
19 |
53 |
|
F |
2 |
2 |
17039 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
2 |
17052 |
20.8 |
-0.1 |
0.411 |
0 |
0 |
0 |
0.000 |
20 |
54 |
|
H |
2 |
1 |
17009 |
◊ |
E |
x,y-1,z |
1_545 |
3 |
2 |
17045 |
19.4 |
1.3 |
0.943 |
0 |
0 |
0 |
0.000 |
21 |
55 |
|
[ZN]F:412 |
1 |
1 |
98 |
f |
[ZN]F:411 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.5 |
-13.2 |
0.000 |
0 |
0 |
0 |
0.060 |
22 |
56 |
|
[ZN]H:412 |
1 |
1 |
98 |
f |
[ZN]H:411 |
x,y,z |
1_555 |
1 |
1 |
98 |
16.1 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.059 |
23 |
57 |
|
[ZN]D:412 |
1 |
1 |
98 |
f |
[ZN]D:411 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.057 |
24 |
58 |
|
[ZN]G:412 |
1 |
1 |
98 |
f |
[ZN]G:411 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.2 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.056 |
25 |
59 |
|
[ZN]C:412 |
1 |
1 |
98 |
f |
[ZN]C:411 |
x,y,z |
1_555 |
1 |
1 |
98 |
15.1 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.055 |
26 |
60 |
|
[ZN]A:412 |
1 |
1 |
98 |
f |
[ZN]A:411 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.8 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.054 |
27 |
61 |
|
[ZN]E:412 |
1 |
1 |
98 |
f |
[ZN]E:411 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.8 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.054 |
28 |
62 |
|
[ZN]B:412 |
1 |
1 |
98 |
f |
[ZN]B:411 |
x,y,z |
1_555 |
1 |
1 |
98 |
14.7 |
-11.7 |
0.000 |
0 |
0 |
0 |
0.054 |
29 |
63 |
|
[ZN]E:411 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
17128 |
11.9 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.040 |
64 |
|
[ZN]G:411 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
17045 |
11.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.040 |
65 |
|
[ZN]D:411 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
16996 |
11.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.040 |
66 |
|
[ZN]A:411 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
17070 |
10.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.040 |
67 |
|
[ZN]C:411 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
17052 |
10.8 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.040 |
68 |
|
[ZN]B:411 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
16954 |
10.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.040 |
69 |
|
[ZN]H:411 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
17039 |
10.5 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.040 |
70 |
|
[ZN]F:411 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
17009 |
9.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.040 |
Average: |
10.8 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.040 |
30 |
71 |
|
G |
1 |
1 |
17128 |
x |
G |
x-1,y,z |
1_455 |
2 |
1 |
17128 |
10.1 |
-0.3 |
0.275 |
0 |
0 |
0 |
0.000 |
72 |
|
H |
2 |
1 |
17009 |
x |
H |
x-1,y,z |
1_455 |
1 |
1 |
17009 |
8.4 |
-0.2 |
0.323 |
0 |
0 |
0 |
0.000 |
73 |
|
C |
1 |
1 |
16996 |
x |
C |
x-1,y,z |
1_455 |
1 |
1 |
16996 |
7.3 |
-0.2 |
0.267 |
0 |
0 |
0 |
0.000 |
74 |
|
B |
1 |
1 |
17070 |
x |
B |
x-1,y,z |
1_455 |
1 |
1 |
17070 |
6.2 |
-0.2 |
0.299 |
0 |
0 |
0 |
0.000 |
Average: |
8.0 |
-0.2 |
0.291 |
0 |
0 |
0 |
0.000 |
|