| ## |
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 |
|
F |
157 |
42 |
7115 |
◊ |
E |
x,y,z |
1_555 |
152 |
41 |
7119 |
1514.0 |
-27.4 |
0.010 |
23 |
0 |
0 |
0.790 |
2 |
|
H |
153 |
42 |
7104 |
◊ |
G |
x,y,z |
1_555 |
160 |
43 |
7107 |
1509.6 |
-28.5 |
0.008 |
23 |
0 |
0 |
0.790 |
3 |
|
D |
148 |
41 |
7146 |
◊ |
C |
x,y,z |
1_555 |
151 |
44 |
7324 |
1481.2 |
-27.0 |
0.006 |
22 |
0 |
0 |
0.790 |
4 |
|
B |
152 |
41 |
6945 |
◊ |
A |
x,y,z |
1_555 |
151 |
40 |
7048 |
1470.2 |
-25.6 |
0.017 |
22 |
0 |
0 |
0.790 |
| Average: |
1493.8 |
-27.1 |
0.010 |
23 |
0 |
0 |
0.790 |
| 2 |
5 |
|
H |
83 |
23 |
7104 |
◊ |
F |
x,y,z |
1_555 |
84 |
24 |
7115 |
785.8 |
-2.8 |
0.672 |
14 |
6 |
0 |
0.010 |
| 3 |
6 |
|
G |
58 |
14 |
7107 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
60 |
15 |
7048 |
524.3 |
-3.2 |
0.547 |
6 |
4 |
0 |
0.000 |
7 |
|
D |
57 |
15 |
7146 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
62 |
15 |
7119 |
523.3 |
-5.4 |
0.362 |
5 |
3 |
0 |
0.000 |
| Average: |
523.8 |
-4.3 |
0.455 |
6 |
4 |
0 |
0.000 |
| 4 |
8 |
|
G |
41 |
10 |
7107 |
◊ |
E |
x,y-1,z |
1_545 |
40 |
10 |
7119 |
362.3 |
3.4 |
0.905 |
9 |
10 |
0 |
0.000 |
| 5 |
9 |
|
F |
36 |
16 |
7115 |
◊ |
C |
x,y,z |
1_555 |
35 |
10 |
7324 |
337.3 |
-4.1 |
0.252 |
3 |
4 |
0 |
0.000 |
| 6 |
10 |
|
B |
32 |
8 |
6945 |
◊ |
B |
-x,y,-z+2 |
2_557 |
31 |
8 |
6945 |
318.4 |
2.8 |
0.888 |
10 |
8 |
0 |
0.000 |
11 |
|
C |
29 |
7 |
7324 |
◊ |
C |
-x,y,-z+1 |
2_556 |
29 |
7 |
7324 |
315.8 |
3.6 |
0.924 |
8 |
6 |
0 |
0.000 |
| Average: |
317.1 |
3.2 |
0.906 |
9 |
7 |
0 |
0.000 |
| 7 |
12 |
|
D |
24 |
9 |
7146 |
◊ |
B |
x,y,z |
1_555 |
19 |
5 |
6945 |
208.2 |
1.0 |
0.766 |
2 |
6 |
0 |
0.000 |
13 |
|
C |
19 |
5 |
7324 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
7048 |
199.7 |
0.3 |
0.695 |
3 |
5 |
0 |
0.000 |
| Average: |
203.9 |
0.6 |
0.731 |
3 |
6 |
0 |
0.000 |
| 8 |
14 |
|
B |
27 |
7 |
6945 |
◊ |
G |
-x+1/2,y-1/2,-z+2 |
4_547 |
21 |
6 |
7107 |
201.8 |
2.9 |
0.901 |
3 |
3 |
0 |
0.000 |
15 |
|
E |
19 |
6 |
7119 |
◊ |
C |
-x+1/2,y-1/2,-z+1 |
4_546 |
26 |
7 |
7324 |
193.8 |
3.2 |
0.914 |
4 |
3 |
0 |
0.000 |
| Average: |
197.8 |
3.0 |
0.907 |
4 |
3 |
0 |
0.000 |
| 9 |
16 |
|
D |
13 |
4 |
7146 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
7048 |
145.8 |
0.0 |
0.687 |
2 |
0 |
0 |
0.000 |
| 10 |
17 |
|
[ACT]F:202 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
23 |
14 |
7115 |
128.4 |
-0.9 |
0.605 |
2 |
0 |
0 |
0.038 |
| 11 |
18 |
|
[K]H:201 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
20 |
7 |
7104 |
124.9 |
-83.3 |
0.000 |
0 |
0 |
0 |
0.531 |
19 |
|
[K]C:202 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
20 |
10 |
7324 |
114.2 |
-82.8 |
0.000 |
0 |
0 |
0 |
0.531 |
| Average: |
119.6 |
-83.1 |
0.000 |
0 |
0 |
0 |
0.531 |
| 12 |
20 |
|
F |
9 |
3 |
7115 |
x |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
11 |
4 |
7115 |
79.3 |
0.4 |
0.731 |
1 |
1 |
0 |
0.000 |
| 13 |
21 |
|
[NI]C:201 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
7324 |
72.3 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.247 |
22 |
|
[NI]B:201 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
6945 |
66.5 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.247 |
23 |
|
[NI]G:201 |
1 |
1 |
115 |
f |
G |
x,y,z |
1_555 |
11 |
7 |
7107 |
65.1 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.247 |
| Average: |
68.0 |
-10.9 |
0.000 |
0 |
0 |
0 |
0.247 |
| 14 |
24 |
|
H |
6 |
2 |
7104 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
6945 |
66.1 |
1.7 |
0.855 |
1 |
1 |
0 |
0.000 |
| 15 |
25 |
|
[NI]F:201 |
1 |
1 |
115 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
7115 |
63.2 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.172 |
| 16 |
26 |
|
D |
6 |
2 |
7146 |
◊ |
D |
-x,y,-z+1 |
2_556 |
6 |
2 |
7146 |
63.2 |
1.0 |
0.841 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
6 |
2 |
7048 |
◊ |
A |
-x,y,-z+2 |
2_557 |
6 |
2 |
7048 |
61.5 |
1.2 |
0.872 |
0 |
0 |
0 |
0.000 |
| Average: |
62.3 |
1.1 |
0.856 |
0 |
0 |
0 |
0.000 |
| 17 |
28 |
|
H |
7 |
3 |
7104 |
◊ |
A |
x,y,z |
1_555 |
8 |
2 |
7048 |
56.4 |
-1.0 |
0.372 |
0 |
0 |
0 |
0.000 |
| 18 |
29 |
|
[K]C:202 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
7146 |
48.1 |
-25.9 |
0.000 |
0 |
0 |
0 |
0.166 |
30 |
|
[K]H:201 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
5 |
2 |
7107 |
43.8 |
-25.2 |
0.000 |
0 |
0 |
0 |
0.166 |
| Average: |
46.0 |
-25.5 |
0.000 |
0 |
0 |
0 |
0.166 |
| 19 |
31 |
|
D |
7 |
2 |
7146 |
◊ |
C |
x,y-1,z |
1_545 |
6 |
2 |
7324 |
40.9 |
-1.3 |
0.275 |
0 |
0 |
0 |
0.000 |
32 |
|
B |
6 |
2 |
6945 |
◊ |
A |
x,y-1,z |
1_545 |
5 |
2 |
7048 |
35.5 |
-1.1 |
0.290 |
0 |
0 |
0 |
0.000 |
| Average: |
38.2 |
-1.2 |
0.283 |
0 |
0 |
0 |
0.000 |
| 20 |
33 |
|
[NI]F:201 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
7324 |
34.3 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 21 |
34 |
|
F |
5 |
2 |
7115 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7146 |
27.4 |
0.4 |
0.773 |
0 |
0 |
0 |
0.000 |
| 22 |
35 |
|
G |
5 |
3 |
7107 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
7115 |
22.4 |
-0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
36 |
|
H |
4 |
3 |
7104 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
7119 |
22.1 |
-0.1 |
0.615 |
0 |
0 |
0 |
0.000 |
| Average: |
22.2 |
-0.1 |
0.607 |
0 |
0 |
0 |
0.000 |
| 23 |
37 |
|
G |
4 |
3 |
7107 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
7119 |
8.6 |
-0.0 |
0.633 |
0 |
0 |
0 |
0.000 |
| 24 |
38 |
|
H |
1 |
1 |
7104 |
x |
H |
-x+1/2,y-1/2,-z+2 |
4_547 |
1 |
1 |
7104 |
1.0 |
0.0 |
0.629 |
0 |
0 |
0 |
0.000 |
|