| ## |
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 |
|
C |
598 |
159 |
23516 |
◊ |
B |
x,y,z |
1_555 |
597 |
155 |
23679 |
5608.6 |
-73.4 |
0.001 |
54 |
14 |
0 |
0.254 |
2 |
|
D |
590 |
156 |
23326 |
◊ |
A |
x,y,z |
1_555 |
589 |
154 |
23570 |
5501.7 |
-77.6 |
0.000 |
53 |
14 |
0 |
0.254 |
| Average: |
5555.1 |
-75.5 |
0.001 |
54 |
14 |
0 |
0.254 |
| 2 |
3 |
|
B |
45 |
15 |
23679 |
x |
B |
-x,y-1/2,-z |
2_545 |
46 |
17 |
23679 |
417.2 |
-1.0 |
0.633 |
1 |
3 |
0 |
0.000 |
| 3 |
4 |
|
B |
39 |
10 |
23679 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
46 |
14 |
23570 |
371.3 |
3.4 |
0.891 |
8 |
1 |
0 |
0.000 |
| 4 |
5 |
|
D |
37 |
12 |
23326 |
x |
D |
-x+1,y-1/2,-z+1 |
2_646 |
52 |
17 |
23326 |
345.0 |
2.7 |
0.844 |
3 |
6 |
0 |
0.000 |
| 5 |
6 |
|
D |
50 |
15 |
23326 |
x |
D |
x,y-1,z |
1_545 |
34 |
14 |
23326 |
328.8 |
-1.4 |
0.571 |
5 |
1 |
0 |
0.000 |
7 |
|
C |
47 |
17 |
23516 |
x |
C |
x,y-1,z |
1_545 |
38 |
16 |
23516 |
318.2 |
-0.3 |
0.669 |
4 |
0 |
0 |
0.000 |
| Average: |
323.5 |
-0.8 |
0.620 |
5 |
1 |
0 |
0.000 |
| 6 |
8 |
|
C |
29 |
10 |
23516 |
◊ |
B |
x,y-1,z |
1_545 |
33 |
9 |
23679 |
308.0 |
-3.4 |
0.217 |
1 |
1 |
0 |
0.000 |
9 |
|
D |
21 |
9 |
23326 |
◊ |
A |
x,y-1,z |
1_545 |
31 |
9 |
23570 |
256.0 |
-2.1 |
0.180 |
1 |
1 |
0 |
0.000 |
| Average: |
282.0 |
-2.8 |
0.199 |
1 |
1 |
0 |
0.000 |
| 7 |
10 |
|
D |
36 |
12 |
23326 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
36 |
12 |
23516 |
277.3 |
0.4 |
0.736 |
1 |
3 |
0 |
0.000 |
| 8 |
11 |
|
C |
28 |
10 |
23516 |
x |
C |
-x+1,y-1/2,-z |
2_645 |
30 |
9 |
23516 |
244.5 |
2.8 |
0.890 |
5 |
6 |
0 |
0.000 |
| 9 |
12 |
|
D |
23 |
8 |
23326 |
◊ |
B |
x,y,z |
1_555 |
30 |
13 |
23679 |
234.2 |
1.9 |
0.841 |
2 |
1 |
0 |
0.000 |
| 10 |
13 |
|
C |
28 |
9 |
23516 |
◊ |
A |
x,y,z-1 |
1_554 |
26 |
9 |
23570 |
233.0 |
2.9 |
0.863 |
3 |
2 |
0 |
0.000 |
| 11 |
14 |
|
C |
30 |
12 |
23516 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
26 |
9 |
23326 |
232.1 |
1.2 |
0.775 |
1 |
1 |
0 |
0.000 |
| 12 |
15 |
|
A |
29 |
12 |
23570 |
x |
A |
-x,y-1/2,-z+1 |
2_546 |
24 |
10 |
23570 |
200.5 |
0.2 |
0.683 |
2 |
0 |
0 |
0.000 |
| 13 |
16 |
|
[B3P]B:701 |
13 |
1 |
426 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
23679 |
188.1 |
3.5 |
0.392 |
2 |
0 |
0 |
0.000 |
| 14 |
17 |
|
[B3P]A:701 |
13 |
1 |
424 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
23570 |
185.5 |
3.8 |
0.534 |
1 |
0 |
0 |
0.000 |
| 15 |
18 |
|
[B3P]D:701 |
13 |
1 |
421 |
f |
D |
x,y,z |
1_555 |
26 |
10 |
23326 |
184.9 |
4.5 |
0.577 |
2 |
0 |
0 |
0.000 |
| 16 |
19 |
|
[B3P]C:701 |
12 |
1 |
422 |
f |
C |
x,y,z |
1_555 |
24 |
9 |
23516 |
183.0 |
4.9 |
0.585 |
1 |
0 |
0 |
0.000 |
| 17 |
20 |
|
A |
16 |
5 |
23570 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
23 |
8 |
23679 |
171.1 |
-0.3 |
0.611 |
1 |
0 |
0 |
0.000 |
| 18 |
21 |
|
[CUK]B:704 |
6 |
1 |
289 |
f |
B |
x,y,z |
1_555 |
21 |
11 |
23679 |
148.1 |
-22.0 |
0.189 |
0 |
0 |
0 |
0.108 |
22 |
|
[CUK]C:704 |
6 |
1 |
286 |
f |
C |
x,y,z |
1_555 |
19 |
10 |
23516 |
144.1 |
-21.4 |
0.186 |
0 |
0 |
0 |
0.108 |
23 |
|
[CUK]D:704 |
6 |
1 |
286 |
f |
D |
x,y,z |
1_555 |
17 |
10 |
23326 |
142.6 |
-21.2 |
0.211 |
0 |
0 |
0 |
0.108 |
24 |
|
[CUK]A:704 |
6 |
1 |
286 |
f |
A |
x,y,z |
1_555 |
19 |
11 |
23570 |
141.9 |
-22.5 |
0.077 |
0 |
0 |
0 |
0.108 |
| Average: |
144.2 |
-21.8 |
0.166 |
0 |
0 |
0 |
0.108 |
| 19 |
25 |
|
[K]B:707 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
22 |
8 |
23679 |
110.8 |
-68.5 |
0.000 |
0 |
0 |
0 |
0.342 |
26 |
|
[K]A:707 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
23570 |
100.5 |
-68.8 |
0.000 |
0 |
0 |
0 |
0.342 |
27 |
|
[K]D:707 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
23326 |
100.5 |
-68.0 |
0.000 |
0 |
0 |
0 |
0.342 |
28 |
|
[K]C:708 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
23516 |
100.4 |
-68.7 |
0.000 |
0 |
0 |
0 |
0.342 |
| Average: |
103.1 |
-68.5 |
0.000 |
0 |
0 |
0 |
0.342 |
| 20 |
29 |
|
[B3P]B:701 |
6 |
1 |
426 |
◊ |
C |
x,y,z |
1_555 |
13 |
3 |
23516 |
78.9 |
0.5 |
0.298 |
0 |
0 |
0 |
0.000 |
| 21 |
30 |
|
[B3P]C:701 |
7 |
1 |
422 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
23679 |
78.7 |
0.7 |
0.279 |
1 |
0 |
0 |
0.000 |
| 22 |
31 |
|
[K]B:707 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
12 |
4 |
23516 |
78.3 |
-39.7 |
0.000 |
0 |
0 |
0 |
0.197 |
32 |
|
[K]D:707 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
23570 |
78.0 |
-40.1 |
0.000 |
0 |
0 |
0 |
0.197 |
33 |
|
[K]A:707 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
12 |
4 |
23326 |
77.4 |
-39.3 |
0.000 |
0 |
0 |
0 |
0.197 |
34 |
|
[K]C:708 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
23679 |
77.2 |
-39.3 |
0.000 |
0 |
0 |
0 |
0.197 |
| Average: |
77.7 |
-39.6 |
0.000 |
0 |
0 |
0 |
0.197 |
| 23 |
35 |
|
B |
9 |
4 |
23679 |
x |
B |
x,y-1,z |
1_545 |
9 |
4 |
23679 |
77.6 |
0.1 |
0.562 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
9 |
4 |
23570 |
x |
A |
x,y-1,z |
1_545 |
9 |
4 |
23570 |
76.1 |
-0.1 |
0.490 |
0 |
0 |
0 |
0.000 |
| Average: |
76.9 |
-0.0 |
0.526 |
0 |
0 |
0 |
0.000 |
| 24 |
37 |
|
[B3P]A:701 |
7 |
1 |
424 |
f |
D |
x,y,z |
1_555 |
13 |
3 |
23326 |
77.6 |
-1.9 |
0.158 |
1 |
0 |
0 |
0.006 |
| 25 |
38 |
|
[B3P]D:701 |
7 |
1 |
421 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
23570 |
77.4 |
1.0 |
0.375 |
0 |
0 |
0 |
0.000 |
| 26 |
39 |
|
[CL]A:702 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
23570 |
64.5 |
-12.1 |
0.000 |
0 |
0 |
0 |
0.062 |
40 |
|
[CL]C:702 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
23516 |
63.6 |
-12.0 |
0.000 |
0 |
0 |
0 |
0.062 |
41 |
|
[CL]D:702 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
23326 |
63.3 |
-11.9 |
0.000 |
0 |
0 |
0 |
0.062 |
42 |
|
[CL]B:702 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
23679 |
63.2 |
-12.9 |
0.000 |
0 |
0 |
0 |
0.062 |
| Average: |
63.6 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.062 |
| 27 |
43 |
|
[NA]A:708 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
23570 |
60.3 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.035 |
44 |
|
[NA]B:708 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
23679 |
59.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.035 |
45 |
|
[NA]D:708 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
23326 |
59.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.035 |
46 |
|
[NA]C:709 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
15 |
8 |
23516 |
58.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.035 |
| Average: |
59.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.035 |
| 28 |
47 |
|
[FMT]C:706 |
3 |
1 |
149 |
f |
C |
x,y,z |
1_555 |
10 |
4 |
23516 |
59.2 |
0.1 |
0.604 |
0 |
0 |
0 |
0.000 |
| 29 |
48 |
|
[FMT]D:706 |
3 |
1 |
149 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
23326 |
59.0 |
-0.4 |
0.356 |
0 |
0 |
0 |
0.001 |
| 30 |
49 |
|
[FMT]B:706 |
3 |
1 |
148 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
23679 |
58.8 |
-0.1 |
0.362 |
0 |
0 |
0 |
0.000 |
| 31 |
50 |
|
[FMT]A:706 |
3 |
1 |
148 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
23570 |
57.4 |
-0.2 |
0.349 |
0 |
0 |
0 |
0.000 |
| 32 |
51 |
|
[FMT]D:706 |
3 |
1 |
149 |
f |
[B3P]D:701 |
x,y,z |
1_555 |
9 |
1 |
421 |
56.2 |
0.5 |
0.207 |
2 |
0 |
0 |
0.000 |
| 33 |
52 |
|
[FMT]B:706 |
3 |
1 |
148 |
f |
[B3P]B:701 |
x,y,z |
1_555 |
9 |
1 |
426 |
55.9 |
0.9 |
0.221 |
3 |
0 |
0 |
0.001 |
| 34 |
53 |
|
[FMT]C:706 |
3 |
1 |
149 |
f |
[B3P]C:701 |
x,y,z |
1_555 |
10 |
1 |
422 |
55.3 |
0.5 |
0.106 |
2 |
0 |
0 |
0.001 |
| 35 |
54 |
|
[FMT]A:706 |
3 |
1 |
148 |
◊ |
[B3P]A:701 |
x,y,z |
1_555 |
9 |
1 |
424 |
53.6 |
1.2 |
0.381 |
2 |
0 |
0 |
0.000 |
| 36 |
55 |
|
[CUK]A:704 |
5 |
1 |
286 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
23326 |
51.2 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.020 |
56 |
|
[CUK]B:704 |
5 |
1 |
289 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
23516 |
49.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.020 |
57 |
|
[CUK]D:704 |
5 |
1 |
286 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
23570 |
48.1 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.020 |
58 |
|
[CUK]C:704 |
5 |
1 |
286 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
23679 |
47.6 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.020 |
| Average: |
49.0 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.020 |
| 37 |
59 |
|
D |
4 |
4 |
23326 |
◊ |
B |
x,y-1,z |
1_545 |
6 |
3 |
23679 |
21.6 |
0.4 |
0.743 |
0 |
0 |
0 |
0.000 |
| 38 |
60 |
|
C |
2 |
2 |
23516 |
◊ |
A |
x,y-1,z-1 |
1_544 |
3 |
1 |
23570 |
15.9 |
0.4 |
0.802 |
0 |
0 |
0 |
0.000 |
| 39 |
61 |
|
A |
3 |
2 |
23570 |
◊ |
C |
-x,y-1/2,-z |
2_545 |
3 |
1 |
23516 |
15.1 |
0.2 |
0.687 |
0 |
0 |
0 |
0.000 |
| 40 |
62 |
|
D |
4 |
2 |
23326 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
23570 |
11.3 |
0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
| 41 |
63 |
|
[CUK]D:704 |
2 |
1 |
286 |
f |
[CL]D:702 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.004 |
64 |
|
[CUK]C:704 |
2 |
1 |
286 |
f |
[CL]C:702 |
x,y,z |
1_555 |
1 |
1 |
125 |
4.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
65 |
|
[CUK]B:704 |
2 |
1 |
289 |
f |
[CL]B:702 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.8 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
66 |
|
[CUK]A:704 |
2 |
1 |
286 |
f |
[CL]A:702 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.004 |
| Average: |
4.0 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.004 |
| 42 |
67 |
|
C |
1 |
1 |
23516 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
1 |
1 |
23679 |
2.1 |
0.1 |
0.742 |
0 |
0 |
0 |
0.000 |
| 43 |
68 |
|
B |
1 |
1 |
23679 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
23326 |
1.8 |
-0.0 |
0.571 |
0 |
0 |
0 |
0.000 |
|