| ## |
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 |
825 |
218 |
62087 |
◊ |
H |
x,y,z |
1_555 |
791 |
195 |
68426 |
7788.1 |
-88.1 |
0.000 |
82 |
21 |
0 |
0.909 |
2 |
|
D |
817 |
216 |
61806 |
◊ |
C |
x,y,z |
1_555 |
779 |
194 |
67748 |
7745.2 |
-85.2 |
0.001 |
81 |
21 |
0 |
0.909 |
| Average: |
7766.6 |
-86.7 |
0.000 |
82 |
21 |
0 |
0.909 |
| 2 |
3 |
|
X |
355 |
92 |
36729 |
◊ |
D |
x,y,z |
1_555 |
359 |
94 |
61806 |
3373.1 |
-22.8 |
0.183 |
26 |
33 |
0 |
0.840 |
4 |
|
Y |
271 |
72 |
31991 |
◊ |
I |
x,y,z |
1_555 |
278 |
78 |
62087 |
2675.2 |
-25.8 |
0.047 |
15 |
18 |
0 |
0.840 |
| Average: |
3024.1 |
-24.3 |
0.115 |
21 |
26 |
0 |
0.840 |
| 3 |
5 |
|
X |
226 |
65 |
36729 |
◊ |
C |
x,y,z |
1_555 |
229 |
62 |
67748 |
2095.5 |
-19.5 |
0.104 |
13 |
5 |
0 |
0.804 |
6 |
|
Y |
164 |
49 |
31991 |
◊ |
H |
x,y,z |
1_555 |
160 |
43 |
68426 |
1525.9 |
-13.7 |
0.144 |
11 |
3 |
0 |
0.804 |
| Average: |
1810.7 |
-16.6 |
0.124 |
12 |
4 |
0 |
0.804 |
| 4 |
7 |
|
B |
206 |
54 |
13287 |
◊ |
A |
x,y,z |
1_555 |
191 |
48 |
20860 |
1918.3 |
-21.8 |
0.046 |
11 |
9 |
0 |
1.000 |
| 5 |
8 |
|
C |
216 |
65 |
67748 |
◊ |
A |
x,y,z |
1_555 |
212 |
60 |
20860 |
1906.2 |
-6.3 |
0.521 |
25 |
8 |
0 |
0.761 |
| 6 |
9 |
|
F |
196 |
57 |
13477 |
◊ |
H |
x,y,z |
1_555 |
199 |
55 |
68426 |
1743.2 |
-3.5 |
0.627 |
23 |
6 |
0 |
0.780 |
| 7 |
10 |
|
F |
172 |
45 |
13477 |
◊ |
G |
x,y,z |
1_555 |
175 |
42 |
12757 |
1719.8 |
-24.6 |
0.010 |
6 |
5 |
0 |
1.000 |
| 8 |
11 |
|
I |
157 |
51 |
62087 |
◊ |
D |
x,y,z |
1_555 |
157 |
50 |
61806 |
1411.6 |
-6.5 |
0.534 |
5 |
0 |
0 |
0.000 |
| 9 |
12 |
|
E |
121 |
30 |
7051 |
◊ |
D |
x,y,z |
1_555 |
143 |
37 |
61806 |
1310.7 |
-9.5 |
0.252 |
10 |
5 |
0 |
0.690 |
13 |
|
J |
120 |
30 |
5590 |
◊ |
I |
x,y,z |
1_555 |
142 |
37 |
62087 |
1301.3 |
-9.6 |
0.197 |
10 |
5 |
0 |
0.690 |
| Average: |
1306.0 |
-9.6 |
0.225 |
10 |
5 |
0 |
0.690 |
| 10 |
14 |
|
D |
96 |
27 |
61806 |
◊ |
B |
x,y,z |
1_555 |
115 |
32 |
13287 |
982.6 |
-4.7 |
0.438 |
7 |
2 |
0 |
0.035 |
15 |
|
I |
94 |
26 |
62087 |
◊ |
G |
x,y,z |
1_555 |
105 |
31 |
12757 |
932.2 |
-5.4 |
0.385 |
7 |
1 |
0 |
0.035 |
| Average: |
957.4 |
-5.0 |
0.411 |
7 |
2 |
0 |
0.035 |
| 11 |
16 |
|
C |
109 |
28 |
67748 |
◊ |
X |
x-1/2,-y+1/2,-z |
4_455 |
104 |
30 |
36729 |
943.5 |
4.4 |
0.829 |
8 |
9 |
0 |
0.000 |
| 12 |
17 |
|
H |
101 |
35 |
68426 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
102 |
34 |
67748 |
909.8 |
-1.3 |
0.608 |
3 |
1 |
0 |
0.000 |
| 13 |
18 |
|
Y |
76 |
21 |
31991 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
72 |
20 |
61806 |
629.2 |
-2.3 |
0.471 |
2 |
0 |
0 |
0.000 |
| 14 |
19 |
|
C |
68 |
20 |
67748 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
58 |
15 |
61806 |
605.2 |
-0.1 |
0.631 |
3 |
1 |
0 |
0.000 |
| 15 |
20 |
|
C |
53 |
16 |
67748 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
57 |
15 |
20860 |
574.1 |
-1.8 |
0.434 |
4 |
4 |
0 |
0.000 |
| 16 |
21 |
|
I |
66 |
17 |
62087 |
◊ |
X |
-x-1,y-1/2,-z+1/2 |
3_445 |
67 |
18 |
36729 |
557.4 |
-0.3 |
0.669 |
3 |
0 |
0 |
0.000 |
| 17 |
22 |
|
Y |
61 |
17 |
31991 |
◊ |
X |
x,y-1,z |
1_545 |
61 |
13 |
36729 |
539.3 |
1.8 |
0.761 |
6 |
11 |
0 |
0.000 |
| 18 |
23 |
|
[1RL]H:1401 |
46 |
1 |
1021 |
f |
H |
x,y,z |
1_555 |
69 |
23 |
68426 |
530.9 |
-1.9 |
0.859 |
5 |
0 |
0 |
0.239 |
24 |
|
[1RL]C:1401 |
46 |
1 |
1027 |
f |
C |
x,y,z |
1_555 |
66 |
21 |
67748 |
510.0 |
-3.2 |
0.727 |
6 |
0 |
0 |
0.239 |
| Average: |
520.4 |
-2.5 |
0.793 |
6 |
0 |
0 |
0.239 |
| 19 |
25 |
|
Y |
54 |
21 |
31991 |
◊ |
X |
-x-1,y-1/2,-z+1/2 |
3_445 |
59 |
20 |
36729 |
485.0 |
1.0 |
0.655 |
3 |
1 |
0 |
0.000 |
| 20 |
26 |
|
D |
52 |
12 |
61806 |
◊ |
Y |
x-1/2,-y-1/2,-z |
4_445 |
40 |
12 |
31991 |
451.7 |
1.2 |
0.740 |
4 |
10 |
0 |
0.000 |
| 21 |
27 |
|
C |
58 |
19 |
67748 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
38 |
10 |
7051 |
442.0 |
-4.1 |
0.291 |
1 |
0 |
0 |
0.000 |
| 22 |
28 |
|
I |
54 |
14 |
62087 |
◊ |
D |
-x-1,y-1/2,-z+1/2 |
3_445 |
53 |
14 |
61806 |
439.3 |
-3.8 |
0.402 |
2 |
0 |
0 |
0.000 |
| 23 |
29 |
|
B |
45 |
13 |
13287 |
◊ |
F |
x-1/2,-y-1/2,-z |
4_445 |
43 |
15 |
13477 |
422.5 |
-4.5 |
0.160 |
3 |
0 |
0 |
0.000 |
| 24 |
30 |
|
B |
46 |
14 |
13287 |
◊ |
H |
-x-1/2,-y,z-1/2 |
2_454 |
43 |
10 |
68426 |
386.6 |
5.9 |
0.933 |
8 |
4 |
0 |
0.000 |
| 25 |
31 |
|
X |
35 |
9 |
36729 |
◊ |
A |
x,y,z |
1_555 |
41 |
14 |
20860 |
339.8 |
-0.5 |
0.553 |
1 |
0 |
0 |
0.019 |
| 26 |
32 |
|
C |
34 |
9 |
67748 |
◊ |
B |
x,y,z |
1_555 |
32 |
10 |
13287 |
294.3 |
1.3 |
0.723 |
3 |
4 |
0 |
0.011 |
33 |
|
H |
33 |
8 |
68426 |
◊ |
G |
x,y,z |
1_555 |
32 |
10 |
12757 |
293.1 |
1.2 |
0.709 |
3 |
4 |
0 |
0.011 |
| Average: |
293.7 |
1.2 |
0.716 |
3 |
4 |
0 |
0.011 |
| 27 |
34 |
|
C |
28 |
10 |
67748 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
31 |
10 |
12757 |
276.0 |
0.3 |
0.650 |
3 |
0 |
0 |
0.000 |
| 28 |
35 |
|
E |
21 |
8 |
7051 |
◊ |
C |
x,y,z |
1_555 |
31 |
8 |
67748 |
234.3 |
-0.1 |
0.592 |
0 |
0 |
0 |
0.002 |
36 |
|
J |
21 |
8 |
5590 |
◊ |
H |
x,y,z |
1_555 |
31 |
7 |
68426 |
233.8 |
-0.1 |
0.578 |
1 |
0 |
0 |
0.002 |
| Average: |
234.1 |
-0.1 |
0.585 |
1 |
0 |
0 |
0.002 |
| 29 |
37 |
|
A |
31 |
10 |
20860 |
◊ |
H |
-x-1/2,-y,z-1/2 |
2_454 |
27 |
9 |
68426 |
217.9 |
0.1 |
0.644 |
0 |
0 |
0 |
0.000 |
| 30 |
38 |
|
Y |
20 |
7 |
31991 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
20 |
6 |
62087 |
191.7 |
-0.5 |
0.582 |
0 |
0 |
0 |
0.000 |
| 31 |
39 |
|
D |
15 |
5 |
61806 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
19 |
6 |
68426 |
175.9 |
0.5 |
0.484 |
1 |
2 |
0 |
0.000 |
| 32 |
40 |
|
H |
23 |
8 |
68426 |
◊ |
X |
-x-1,y-1/2,-z+1/2 |
3_445 |
23 |
8 |
36729 |
170.1 |
-0.1 |
0.616 |
2 |
1 |
0 |
0.000 |
| 33 |
41 |
|
D |
15 |
6 |
61806 |
◊ |
X |
-x-1,y-1/2,-z+1/2 |
3_445 |
16 |
7 |
36729 |
158.5 |
-1.1 |
0.481 |
2 |
0 |
0 |
0.000 |
| 34 |
42 |
|
C |
21 |
5 |
67748 |
◊ |
H |
x-1,y,z |
1_455 |
18 |
6 |
68426 |
150.7 |
2.0 |
0.795 |
1 |
0 |
0 |
0.000 |
| 35 |
43 |
|
D |
16 |
7 |
61806 |
◊ |
A |
x,y,z |
1_555 |
17 |
7 |
20860 |
124.1 |
1.7 |
0.817 |
1 |
0 |
0 |
0.000 |
| 36 |
44 |
|
C |
9 |
4 |
67748 |
◊ |
Y |
x-1/2,-y-1/2,-z |
4_445 |
5 |
3 |
31991 |
59.1 |
0.5 |
0.638 |
1 |
1 |
0 |
0.000 |
| 37 |
45 |
|
[1RL]C:1401 |
4 |
1 |
1027 |
◊ |
X |
x,y,z |
1_555 |
9 |
4 |
36729 |
51.2 |
-0.6 |
0.499 |
0 |
0 |
0 |
0.022 |
46 |
|
[1RL]H:1401 |
3 |
1 |
1021 |
◊ |
Y |
x,y,z |
1_555 |
5 |
3 |
31991 |
42.7 |
-0.5 |
0.497 |
0 |
0 |
0 |
0.022 |
| Average: |
47.0 |
-0.6 |
0.498 |
0 |
0 |
0 |
0.022 |
| 38 |
47 |
|
[MG]D:1503 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
61806 |
49.8 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.342 |
48 |
|
[MG]I:1503 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
5 |
2 |
62087 |
46.1 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.342 |
| Average: |
47.9 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.342 |
| 39 |
49 |
|
A |
7 |
2 |
20860 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
4 |
1 |
7051 |
43.0 |
0.8 |
0.786 |
1 |
0 |
0 |
0.000 |
| 40 |
50 |
|
Y |
7 |
2 |
31991 |
◊ |
C |
-x-1,y-1/2,-z+1/2 |
3_445 |
9 |
4 |
67748 |
31.1 |
0.4 |
0.687 |
0 |
0 |
0 |
0.000 |
| 41 |
51 |
|
A |
3 |
1 |
20860 |
◊ |
G |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
12757 |
28.2 |
0.5 |
0.462 |
0 |
0 |
0 |
0.000 |
| 42 |
52 |
|
[MG]I:1503 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
68426 |
21.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.014 |
| 43 |
53 |
|
F |
3 |
3 |
13477 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
62087 |
18.9 |
0.1 |
0.518 |
0 |
0 |
0 |
0.000 |
| 44 |
54 |
|
C |
1 |
1 |
67748 |
x |
C |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
67748 |
14.9 |
0.7 |
0.887 |
0 |
0 |
0 |
0.000 |
| 45 |
55 |
|
A |
1 |
1 |
20860 |
◊ |
I |
-x-1/2,-y,z-1/2 |
2_454 |
1 |
1 |
62087 |
1.6 |
-0.0 |
0.592 |
0 |
0 |
0 |
0.000 |
| 46 |
56 |
|
B |
1 |
1 |
13287 |
◊ |
H |
x-1/2,-y-1/2,-z |
4_445 |
1 |
1 |
68426 |
0.9 |
-0.0 |
0.601 |
0 |
0 |
0 |
0.000 |
|