| ## |
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 |
|
H |
180 |
46 |
15360 |
◊ |
G |
x,y,z |
1_555 |
172 |
46 |
14993 |
1731.3 |
-33.0 |
0.005 |
9 |
0 |
0 |
0.823 |
2 |
|
D |
180 |
46 |
15290 |
◊ |
C |
x,y,z |
1_555 |
182 |
47 |
15312 |
1729.3 |
-31.9 |
0.012 |
11 |
2 |
0 |
0.823 |
3 |
|
F |
173 |
46 |
15648 |
◊ |
E |
x,y,z |
1_555 |
179 |
47 |
15530 |
1726.0 |
-32.5 |
0.003 |
10 |
0 |
0 |
0.823 |
4 |
|
B |
175 |
46 |
15425 |
◊ |
A |
x,y,z |
1_555 |
175 |
46 |
15521 |
1721.9 |
-32.3 |
0.006 |
8 |
0 |
0 |
0.823 |
| Average: |
1727.1 |
-32.4 |
0.006 |
10 |
1 |
0 |
0.823 |
| 2 |
5 |
|
E |
80 |
24 |
15530 |
◊ |
A |
x,y,z |
1_555 |
66 |
21 |
15521 |
707.0 |
1.6 |
0.872 |
7 |
1 |
0 |
0.054 |
6 |
|
H |
79 |
25 |
15360 |
◊ |
C |
x,y,z |
1_555 |
66 |
18 |
15312 |
702.1 |
1.3 |
0.886 |
8 |
1 |
0 |
0.054 |
7 |
|
H |
64 |
18 |
15360 |
◊ |
A |
-x+1,y,-z |
2_655 |
81 |
24 |
15521 |
701.6 |
1.1 |
0.847 |
10 |
2 |
0 |
0.054 |
8 |
|
E |
62 |
18 |
15530 |
◊ |
C |
-x+1,y,-z |
2_655 |
80 |
23 |
15312 |
700.3 |
1.3 |
0.894 |
11 |
4 |
0 |
0.054 |
| Average: |
702.8 |
1.3 |
0.875 |
9 |
2 |
0 |
0.054 |
| 3 |
9 |
|
B |
48 |
17 |
15425 |
◊ |
D |
x,y-1,z |
1_545 |
46 |
18 |
15290 |
452.7 |
-1.4 |
0.736 |
6 |
0 |
0 |
0.039 |
10 |
|
F |
48 |
18 |
15648 |
◊ |
F |
-x+1,y,-z+1 |
2_656 |
48 |
18 |
15648 |
442.9 |
-2.3 |
0.594 |
6 |
0 |
0 |
0.039 |
| Average: |
447.8 |
-1.9 |
0.665 |
6 |
0 |
0 |
0.039 |
| 4 |
11 |
|
A |
37 |
13 |
15521 |
◊ |
F |
-x+3/2,y-1/2,-z+1 |
4_646 |
39 |
14 |
15648 |
344.3 |
-1.7 |
0.596 |
3 |
0 |
0 |
0.000 |
12 |
|
G |
32 |
10 |
14993 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
37 |
12 |
15312 |
329.1 |
-2.4 |
0.555 |
3 |
0 |
0 |
0.000 |
13 |
|
B |
31 |
10 |
15425 |
◊ |
E |
-x+3/2,y-1/2,-z+1 |
4_646 |
37 |
11 |
15530 |
320.2 |
-2.0 |
0.573 |
3 |
0 |
0 |
0.000 |
14 |
|
H |
35 |
12 |
15360 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
31 |
12 |
15290 |
309.6 |
-3.2 |
0.384 |
2 |
0 |
0 |
0.000 |
| Average: |
325.8 |
-2.3 |
0.527 |
3 |
0 |
0 |
0.000 |
| 5 |
15 |
|
[1PE]A:403 |
16 |
1 |
479 |
f |
A |
x,y,z |
1_555 |
57 |
17 |
15521 |
313.6 |
-1.2 |
0.639 |
3 |
0 |
0 |
0.044 |
| 6 |
16 |
|
[1PE]F:402 |
16 |
1 |
467 |
f |
F |
x,y,z |
1_555 |
49 |
19 |
15648 |
312.2 |
-1.2 |
0.590 |
2 |
0 |
0 |
0.040 |
| 7 |
17 |
|
[1PE]E:403 |
13 |
1 |
406 |
f |
E |
x,y,z |
1_555 |
50 |
15 |
15530 |
269.6 |
-0.4 |
0.612 |
2 |
0 |
0 |
0.025 |
| 8 |
18 |
|
[1PE]B:403 |
13 |
1 |
397 |
f |
B |
x,y,z |
1_555 |
39 |
15 |
15425 |
259.4 |
-0.6 |
0.544 |
1 |
0 |
0 |
0.019 |
| 9 |
19 |
|
F |
26 |
10 |
15648 |
◊ |
D |
x,y,z |
1_555 |
27 |
8 |
15290 |
248.7 |
-3.1 |
0.351 |
1 |
0 |
0 |
0.000 |
| 10 |
20 |
|
[1PE]C:402 |
16 |
1 |
425 |
f |
C |
x,y,z |
1_555 |
37 |
9 |
15312 |
231.2 |
0.7 |
0.843 |
4 |
0 |
0 |
0.064 |
21 |
|
[1PE]B:402 |
16 |
1 |
444 |
f |
B |
x,y,z |
1_555 |
31 |
9 |
15425 |
225.8 |
-1.0 |
0.702 |
6 |
0 |
0 |
0.064 |
| Average: |
228.5 |
-0.1 |
0.772 |
5 |
0 |
0 |
0.064 |
| 11 |
22 |
|
[1PE]A:402 |
16 |
1 |
421 |
f |
A |
x,y,z |
1_555 |
33 |
9 |
15521 |
227.3 |
0.4 |
0.740 |
3 |
0 |
0 |
0.066 |
23 |
|
[1PE]H:402 |
15 |
1 |
414 |
f |
H |
x,y,z |
1_555 |
32 |
9 |
15360 |
219.5 |
-1.0 |
0.654 |
5 |
0 |
0 |
0.066 |
| Average: |
223.4 |
-0.3 |
0.697 |
4 |
0 |
0 |
0.066 |
| 12 |
24 |
|
H |
22 |
8 |
15360 |
◊ |
A |
x,y,z |
1_555 |
30 |
10 |
15521 |
222.5 |
1.3 |
0.823 |
5 |
0 |
0 |
0.000 |
| 13 |
25 |
|
[1PE]E:402 |
16 |
1 |
419 |
f |
E |
x,y,z |
1_555 |
32 |
9 |
15530 |
221.7 |
0.3 |
0.726 |
2 |
0 |
0 |
0.012 |
| 14 |
26 |
|
[1PE]D:402 |
10 |
1 |
330 |
f |
D |
x,y,z |
1_555 |
31 |
13 |
15290 |
216.0 |
0.5 |
0.599 |
1 |
0 |
0 |
0.000 |
| 15 |
27 |
|
G |
23 |
8 |
14993 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
15425 |
208.3 |
-0.2 |
0.668 |
4 |
0 |
0 |
0.000 |
| 16 |
28 |
|
D |
29 |
11 |
15290 |
◊ |
D |
-x+1,y,-z |
2_655 |
29 |
11 |
15290 |
201.9 |
0.8 |
0.858 |
0 |
0 |
0 |
0.000 |
29 |
|
G |
18 |
7 |
14993 |
◊ |
F |
x,y,z |
1_555 |
18 |
8 |
15648 |
149.4 |
-0.2 |
0.676 |
2 |
2 |
0 |
0.000 |
30 |
|
B |
19 |
7 |
15425 |
◊ |
B |
-x+1,y,-z |
2_655 |
19 |
7 |
15425 |
117.7 |
-0.4 |
0.700 |
2 |
2 |
0 |
0.000 |
| Average: |
156.3 |
0.1 |
0.745 |
1 |
1 |
0 |
0.000 |
| 17 |
31 |
|
[1PE]A:405 |
7 |
1 |
257 |
f |
A |
x,y,z |
1_555 |
26 |
12 |
15521 |
158.2 |
0.9 |
0.678 |
5 |
0 |
0 |
0.023 |
| 18 |
32 |
|
B |
24 |
9 |
15425 |
◊ |
C |
-x+1,y-1,-z |
2_645 |
21 |
9 |
15312 |
157.4 |
0.1 |
0.756 |
1 |
1 |
0 |
0.000 |
33 |
|
A |
15 |
5 |
15521 |
◊ |
D |
-x+1,y-1,-z |
2_645 |
14 |
6 |
15290 |
99.2 |
-0.9 |
0.550 |
1 |
2 |
0 |
0.000 |
| Average: |
128.3 |
-0.4 |
0.653 |
1 |
2 |
0 |
0.000 |
| 19 |
34 |
|
[1PE]E:404 |
13 |
1 |
405 |
f |
E |
x,y,z |
1_555 |
19 |
6 |
15530 |
156.5 |
0.7 |
0.629 |
5 |
0 |
0 |
0.029 |
| 20 |
35 |
|
[1PE]A:404 |
13 |
1 |
396 |
f |
A |
x,y,z |
1_555 |
16 |
5 |
15521 |
149.5 |
-0.5 |
0.559 |
3 |
0 |
0 |
0.032 |
| 21 |
36 |
|
[TLA]E:401 |
10 |
1 |
265 |
f |
E |
x,y,z |
1_555 |
21 |
10 |
15530 |
147.5 |
0.0 |
0.544 |
11 |
0 |
0 |
0.189 |
37 |
|
[TLA]B:401 |
10 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
15425 |
147.1 |
0.1 |
0.555 |
12 |
0 |
0 |
0.189 |
38 |
|
[TLA]G:401 |
10 |
1 |
265 |
f |
G |
x,y,z |
1_555 |
21 |
9 |
14993 |
147.0 |
-0.0 |
0.572 |
11 |
0 |
0 |
0.189 |
39 |
|
[TLA]A:401 |
10 |
1 |
264 |
f |
A |
x,y,z |
1_555 |
23 |
10 |
15521 |
144.5 |
0.1 |
0.543 |
12 |
0 |
0 |
0.189 |
40 |
|
[TLA]F:401 |
10 |
1 |
266 |
f |
F |
x,y,z |
1_555 |
20 |
9 |
15648 |
144.2 |
-0.3 |
0.545 |
11 |
0 |
0 |
0.189 |
| Average: |
146.1 |
-0.0 |
0.552 |
11 |
0 |
0 |
0.189 |
| 22 |
41 |
|
[TLA]H:401 |
10 |
1 |
264 |
f |
H |
x,y,z |
1_555 |
21 |
9 |
15360 |
147.5 |
0.0 |
0.546 |
9 |
0 |
0 |
0.080 |
| 23 |
42 |
|
[TLA]C:401 |
10 |
1 |
266 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
15312 |
145.6 |
2.1 |
0.777 |
11 |
0 |
0 |
0.072 |
| 24 |
43 |
|
[TLA]D:401 |
10 |
1 |
262 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
15290 |
145.3 |
1.7 |
0.702 |
13 |
0 |
0 |
0.100 |
| 25 |
44 |
|
H |
17 |
7 |
15360 |
◊ |
F |
-x+1,y,-z+1 |
2_656 |
15 |
6 |
15648 |
141.0 |
0.2 |
0.719 |
2 |
3 |
0 |
0.000 |
45 |
|
G |
16 |
7 |
14993 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
13 |
6 |
15530 |
113.3 |
0.2 |
0.735 |
2 |
0 |
0 |
0.000 |
| Average: |
127.2 |
0.2 |
0.727 |
2 |
2 |
0 |
0.000 |
| 26 |
46 |
|
E |
16 |
8 |
15530 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
15312 |
125.5 |
1.3 |
0.834 |
2 |
0 |
0 |
0.000 |
| 27 |
47 |
|
G |
17 |
6 |
14993 |
◊ |
G |
-x+1,y,-z+1 |
2_656 |
17 |
6 |
14993 |
123.7 |
-2.2 |
0.382 |
0 |
0 |
0 |
0.000 |
| 28 |
48 |
|
A |
8 |
2 |
15521 |
◊ |
C |
-x+1,y-1,-z |
2_645 |
8 |
2 |
15312 |
73.1 |
-1.5 |
0.266 |
0 |
0 |
0 |
0.000 |
49 |
|
H |
8 |
2 |
15360 |
◊ |
E |
-x+1,y,-z+1 |
2_656 |
8 |
2 |
15530 |
68.2 |
-1.4 |
0.278 |
0 |
0 |
0 |
0.000 |
| Average: |
70.7 |
-1.5 |
0.272 |
0 |
0 |
0 |
0.000 |
| 29 |
50 |
|
E |
8 |
1 |
15530 |
◊ |
D |
-x+1,y,-z |
2_655 |
8 |
2 |
15290 |
63.7 |
-1.4 |
0.293 |
0 |
0 |
0 |
0.026 |
51 |
|
G |
7 |
2 |
14993 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
15312 |
61.8 |
-1.6 |
0.261 |
0 |
0 |
0 |
0.026 |
52 |
|
F |
7 |
2 |
15648 |
◊ |
A |
x,y,z |
1_555 |
8 |
1 |
15521 |
60.3 |
-1.6 |
0.228 |
0 |
0 |
0 |
0.026 |
53 |
|
H |
8 |
1 |
15360 |
◊ |
B |
-x+1,y,-z |
2_655 |
5 |
2 |
15425 |
57.6 |
-1.2 |
0.286 |
0 |
0 |
0 |
0.026 |
| Average: |
60.9 |
-1.5 |
0.267 |
0 |
0 |
0 |
0.026 |
| 30 |
54 |
|
D |
7 |
3 |
15290 |
◊ |
C |
-x+1,y,-z |
2_655 |
5 |
2 |
15312 |
49.5 |
0.3 |
0.728 |
1 |
2 |
0 |
0.000 |
| 31 |
55 |
|
[1PE]A:403 |
3 |
1 |
479 |
◊ |
H |
-x+1,y,-z |
2_655 |
7 |
3 |
15360 |
48.6 |
0.3 |
0.714 |
0 |
0 |
0 |
0.000 |
| 32 |
56 |
|
[1PE]E:403 |
3 |
1 |
406 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
15521 |
47.5 |
0.3 |
0.673 |
0 |
0 |
0 |
0.000 |
| 33 |
57 |
|
[1PE]F:402 |
2 |
1 |
467 |
f |
[TLA]F:401 |
x,y,z |
1_555 |
5 |
1 |
266 |
35.6 |
0.6 |
0.545 |
2 |
0 |
0 |
0.006 |
| 34 |
58 |
|
A |
2 |
1 |
15521 |
◊ |
E |
-x+3/2,y-1/2,-z+1 |
4_646 |
2 |
1 |
15530 |
34.0 |
-0.7 |
0.200 |
0 |
0 |
0 |
0.000 |
| 35 |
59 |
|
[1PE]A:403 |
3 |
1 |
479 |
f |
[TLA]A:401 |
x,y,z |
1_555 |
4 |
1 |
264 |
29.5 |
1.0 |
0.647 |
0 |
0 |
0 |
0.000 |
| 36 |
60 |
|
B |
4 |
1 |
15425 |
◊ |
A |
-x+1,y,-z |
2_655 |
2 |
1 |
15521 |
24.0 |
-0.2 |
0.460 |
0 |
0 |
0 |
0.000 |
61 |
|
H |
2 |
1 |
15360 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
15648 |
16.8 |
0.2 |
0.610 |
0 |
0 |
0 |
0.000 |
| Average: |
20.4 |
-0.0 |
0.535 |
0 |
0 |
0 |
0.000 |
| 37 |
62 |
|
G |
3 |
1 |
14993 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
15530 |
20.0 |
0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
| 38 |
63 |
|
[1PE]B:402 |
3 |
1 |
444 |
◊ |
D |
x,y-1,z |
1_545 |
4 |
2 |
15290 |
17.2 |
-0.4 |
0.520 |
0 |
0 |
0 |
0.004 |
| 39 |
64 |
|
H |
1 |
1 |
15360 |
◊ |
H |
-x+1,y,-z |
2_655 |
1 |
1 |
15360 |
17.0 |
0.4 |
0.881 |
0 |
0 |
0 |
0.000 |
| 40 |
65 |
|
[1PE]A:405 |
1 |
1 |
257 |
f |
[1PE]A:404 |
x,y,z |
1_555 |
1 |
1 |
396 |
1.7 |
0.0 |
0.555 |
0 |
0 |
0 |
0.000 |
|