## |
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 |
|
I |
826 |
219 |
62286 |
◊ |
H |
x,y,z |
1_555 |
788 |
193 |
68796 |
7806.3 |
-84.6 |
0.001 |
70 |
22 |
0 |
1.000 |
2 |
|
D |
811 |
215 |
61895 |
◊ |
C |
x,y,z |
1_555 |
770 |
195 |
67984 |
7720.1 |
-85.4 |
0.001 |
74 |
21 |
0 |
1.000 |
Average: |
7763.2 |
-85.0 |
0.001 |
72 |
22 |
0 |
1.000 |
2 |
3 |
|
X |
358 |
93 |
36752 |
◊ |
D |
x,y,z |
1_555 |
359 |
94 |
61895 |
3364.6 |
-22.5 |
0.190 |
28 |
29 |
0 |
1.000 |
4 |
|
Y |
268 |
71 |
32035 |
◊ |
I |
x,y,z |
1_555 |
277 |
78 |
62286 |
2637.9 |
-22.9 |
0.069 |
20 |
22 |
0 |
1.000 |
Average: |
3001.2 |
-22.7 |
0.129 |
24 |
26 |
0 |
1.000 |
3 |
5 |
|
X |
241 |
70 |
36752 |
◊ |
C |
x,y,z |
1_555 |
241 |
65 |
67984 |
2260.3 |
-20.8 |
0.099 |
15 |
5 |
0 |
1.000 |
6 |
|
Y |
180 |
52 |
32035 |
◊ |
H |
x,y,z |
1_555 |
172 |
49 |
68796 |
1615.1 |
-15.1 |
0.134 |
11 |
2 |
0 |
1.000 |
Average: |
1937.7 |
-18.0 |
0.117 |
13 |
4 |
0 |
1.000 |
4 |
7 |
|
C |
222 |
68 |
67984 |
◊ |
A |
x,y,z |
1_555 |
216 |
65 |
20819 |
1932.8 |
-5.0 |
0.590 |
26 |
9 |
0 |
1.000 |
5 |
8 |
|
B |
193 |
53 |
13317 |
◊ |
A |
x,y,z |
1_555 |
180 |
47 |
20819 |
1874.3 |
-20.6 |
0.050 |
11 |
9 |
0 |
1.000 |
6 |
9 |
|
F |
198 |
59 |
13413 |
◊ |
H |
x,y,z |
1_555 |
196 |
57 |
68796 |
1767.4 |
-3.1 |
0.635 |
23 |
5 |
0 |
0.100 |
7 |
10 |
|
F |
176 |
46 |
13413 |
◊ |
G |
x,y,z |
1_555 |
176 |
42 |
12758 |
1753.4 |
-24.7 |
0.011 |
8 |
5 |
0 |
1.000 |
8 |
11 |
|
J |
117 |
30 |
5551 |
◊ |
I |
x,y,z |
1_555 |
145 |
39 |
62286 |
1306.6 |
-9.0 |
0.212 |
9 |
4 |
0 |
1.000 |
12 |
|
E |
113 |
30 |
7056 |
◊ |
D |
x,y,z |
1_555 |
141 |
38 |
61895 |
1279.1 |
-7.8 |
0.263 |
7 |
6 |
0 |
1.000 |
Average: |
1292.8 |
-8.4 |
0.237 |
8 |
5 |
0 |
1.000 |
9 |
13 |
|
I |
146 |
49 |
62286 |
◊ |
D |
x,y,z |
1_555 |
146 |
49 |
61895 |
1304.8 |
-7.1 |
0.489 |
2 |
0 |
0 |
0.044 |
10 |
14 |
|
D |
101 |
29 |
61895 |
◊ |
B |
x,y,z |
1_555 |
114 |
31 |
13317 |
996.8 |
-4.3 |
0.463 |
7 |
3 |
0 |
0.046 |
15 |
|
I |
95 |
26 |
62286 |
◊ |
G |
x,y,z |
1_555 |
103 |
31 |
12758 |
931.3 |
-5.2 |
0.410 |
7 |
1 |
0 |
0.046 |
Average: |
964.0 |
-4.7 |
0.437 |
7 |
2 |
0 |
0.046 |
11 |
16 |
|
C |
102 |
28 |
67984 |
◊ |
X |
x-1/2,-y+1/2,-z |
4_455 |
90 |
27 |
36752 |
845.6 |
4.0 |
0.802 |
5 |
6 |
0 |
0.000 |
12 |
17 |
|
H |
95 |
36 |
68796 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
92 |
30 |
67984 |
832.4 |
-4.9 |
0.353 |
3 |
1 |
0 |
0.035 |
13 |
18 |
|
C |
58 |
17 |
67984 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
55 |
14 |
20819 |
568.9 |
-0.8 |
0.471 |
6 |
4 |
0 |
0.000 |
14 |
19 |
|
C |
60 |
20 |
67984 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
50 |
15 |
61895 |
542.5 |
-0.2 |
0.624 |
1 |
0 |
0 |
0.003 |
15 |
20 |
|
Y |
65 |
18 |
32035 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
59 |
18 |
61895 |
539.1 |
-1.4 |
0.523 |
2 |
0 |
0 |
0.000 |
21 |
|
I |
58 |
15 |
62286 |
◊ |
X |
-x-1,y-1/2,-z+1/2 |
3_445 |
63 |
18 |
36752 |
528.7 |
-0.1 |
0.672 |
1 |
0 |
0 |
0.000 |
Average: |
533.9 |
-0.7 |
0.597 |
2 |
0 |
0 |
0.000 |
16 |
22 |
|
Y |
50 |
15 |
32035 |
◊ |
X |
x,y-1,z |
1_545 |
52 |
13 |
36752 |
459.4 |
1.6 |
0.749 |
4 |
7 |
0 |
0.000 |
17 |
23 |
|
C |
62 |
21 |
67984 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
37 |
11 |
7056 |
457.5 |
-3.8 |
0.308 |
1 |
0 |
0 |
0.023 |
18 |
24 |
|
B |
49 |
16 |
13317 |
◊ |
H |
-x-1/2,-y,z-1/2 |
2_454 |
45 |
12 |
68796 |
400.4 |
5.7 |
0.925 |
4 |
6 |
0 |
0.000 |
19 |
25 |
|
I |
54 |
14 |
62286 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
52 |
14 |
61895 |
399.6 |
-3.6 |
0.416 |
2 |
0 |
0 |
0.000 |
20 |
26 |
|
Y |
45 |
19 |
32035 |
◊ |
X |
-x-1,y-1/2,-z+1/2 |
3_445 |
52 |
18 |
36752 |
392.8 |
0.7 |
0.612 |
2 |
0 |
0 |
0.000 |
21 |
27 |
|
D |
44 |
12 |
61895 |
◊ |
Y |
x-1/2,-y-1/2,-z |
4_445 |
38 |
11 |
32035 |
388.9 |
1.4 |
0.750 |
4 |
6 |
0 |
0.000 |
22 |
28 |
|
B |
37 |
11 |
13317 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
40 |
14 |
13413 |
360.6 |
-3.9 |
0.160 |
2 |
0 |
0 |
0.000 |
23 |
29 |
|
X |
34 |
9 |
36752 |
◊ |
A |
x,y,z |
1_555 |
42 |
14 |
20819 |
329.5 |
-0.3 |
0.565 |
1 |
0 |
0 |
0.009 |
24 |
30 |
|
H |
35 |
10 |
68796 |
◊ |
G |
x,y,z |
1_555 |
34 |
12 |
12758 |
311.9 |
1.3 |
0.729 |
2 |
4 |
0 |
0.013 |
31 |
|
C |
35 |
10 |
67984 |
◊ |
B |
x,y,z |
1_555 |
35 |
11 |
13317 |
304.0 |
1.4 |
0.723 |
3 |
4 |
0 |
0.013 |
Average: |
307.9 |
1.3 |
0.726 |
3 |
4 |
0 |
0.013 |
25 |
32 |
|
[0O2]D:1503 |
26 |
1 |
719 |
f |
D |
x,y,z |
1_555 |
29 |
10 |
61895 |
247.8 |
-1.2 |
0.677 |
4 |
0 |
0 |
0.100 |
26 |
33 |
|
C |
27 |
9 |
67984 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
32 |
10 |
12758 |
246.5 |
-0.3 |
0.585 |
1 |
0 |
0 |
0.000 |
27 |
34 |
|
J |
21 |
8 |
5551 |
◊ |
H |
x,y,z |
1_555 |
29 |
8 |
68796 |
231.7 |
-0.4 |
0.541 |
1 |
0 |
0 |
0.005 |
35 |
|
E |
20 |
7 |
7056 |
◊ |
C |
x,y,z |
1_555 |
30 |
8 |
67984 |
229.4 |
-0.1 |
0.586 |
0 |
0 |
0 |
0.005 |
Average: |
230.6 |
-0.2 |
0.563 |
1 |
0 |
0 |
0.005 |
28 |
36 |
|
A |
29 |
10 |
20819 |
◊ |
H |
-x-1/2,-y,z-1/2 |
2_454 |
25 |
9 |
68796 |
204.1 |
1.0 |
0.722 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[0O2]D:1503 |
24 |
1 |
719 |
◊ |
E |
x,y,z |
1_555 |
29 |
9 |
7056 |
200.3 |
2.8 |
0.792 |
3 |
0 |
0 |
0.000 |
30 |
38 |
|
D |
13 |
5 |
61895 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
18 |
5 |
68796 |
141.1 |
0.4 |
0.542 |
1 |
1 |
0 |
0.000 |
31 |
39 |
|
D |
13 |
6 |
61895 |
◊ |
X |
-x-1,y-1/2,-z+1/2 |
3_445 |
15 |
6 |
36752 |
135.0 |
-0.6 |
0.547 |
1 |
0 |
0 |
0.000 |
32 |
40 |
|
H |
17 |
7 |
68796 |
◊ |
X |
-x-1,y-1/2,-z+1/2 |
3_445 |
19 |
7 |
36752 |
126.4 |
0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
41 |
|
Y |
5 |
2 |
32035 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
7 |
4 |
67984 |
23.6 |
-0.1 |
0.599 |
0 |
0 |
0 |
0.000 |
Average: |
75.0 |
-0.0 |
0.604 |
0 |
0 |
0 |
0.000 |
33 |
42 |
|
Y |
15 |
7 |
32035 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
13 |
6 |
62286 |
125.7 |
-0.3 |
0.586 |
0 |
0 |
0 |
0.000 |
34 |
43 |
|
D |
14 |
8 |
61895 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
20819 |
89.8 |
1.0 |
0.767 |
0 |
0 |
0 |
0.000 |
35 |
44 |
|
A |
7 |
2 |
20819 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
7056 |
37.6 |
0.8 |
0.796 |
0 |
0 |
0 |
0.000 |
36 |
45 |
|
C |
4 |
2 |
67984 |
◊ |
H |
x-1,y,z |
1_455 |
4 |
3 |
68796 |
33.6 |
1.3 |
0.900 |
1 |
0 |
0 |
0.000 |
37 |
46 |
|
C |
5 |
2 |
67984 |
◊ |
Y |
x-1/2,-y-1/2,-z |
4_445 |
2 |
1 |
32035 |
29.5 |
0.4 |
0.738 |
1 |
1 |
0 |
0.000 |
38 |
47 |
|
F |
4 |
3 |
13413 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
62286 |
28.9 |
0.2 |
0.490 |
0 |
0 |
0 |
0.000 |
39 |
48 |
|
A |
3 |
1 |
20819 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
12758 |
28.0 |
0.4 |
0.361 |
0 |
0 |
0 |
0.000 |
40 |
49 |
|
C |
1 |
1 |
67984 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
67984 |
13.0 |
0.6 |
0.893 |
0 |
0 |
0 |
0.000 |
41 |
50 |
|
A |
1 |
1 |
20819 |
◊ |
I |
-x-1/2,-y,z-1/2 |
2_454 |
2 |
1 |
62286 |
7.2 |
-0.0 |
0.583 |
0 |
0 |
0 |
0.000 |
|