| ## |
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 |
|
Y |
444 |
114 |
22184 |
◊ |
X |
x,y,z |
1_555 |
450 |
116 |
22256 |
4077.8 |
-44.9 |
0.039 |
73 |
14 |
0 |
0.741 |
2 |
|
B |
446 |
113 |
22214 |
◊ |
A |
x,y,z |
1_555 |
444 |
114 |
22183 |
4073.5 |
-44.2 |
0.045 |
73 |
15 |
0 |
0.741 |
3 |
|
F |
440 |
113 |
22218 |
◊ |
E |
x,y,z |
1_555 |
448 |
113 |
22250 |
4044.6 |
-45.1 |
0.035 |
70 |
12 |
0 |
0.741 |
4 |
|
Z |
447 |
114 |
22167 |
◊ |
V |
x,y,z |
1_555 |
445 |
114 |
22190 |
4040.8 |
-44.8 |
0.039 |
73 |
14 |
0 |
0.741 |
| Average: |
4059.2 |
-44.7 |
0.039 |
72 |
14 |
0 |
0.741 |
| 2 |
5 |
|
E |
121 |
37 |
22250 |
◊ |
B |
x,y,z |
1_555 |
123 |
40 |
22214 |
1162.7 |
-4.1 |
0.650 |
22 |
6 |
0 |
0.301 |
6 |
|
Y |
120 |
37 |
22184 |
◊ |
V |
x,y,z |
1_555 |
118 |
38 |
22190 |
1159.3 |
-2.8 |
0.713 |
23 |
6 |
0 |
0.301 |
7 |
|
Z |
121 |
38 |
22167 |
◊ |
X |
x,y,z |
1_555 |
119 |
38 |
22256 |
1158.0 |
-4.4 |
0.636 |
22 |
6 |
0 |
0.301 |
8 |
|
F |
118 |
39 |
22218 |
◊ |
A |
x,y,z |
1_555 |
116 |
36 |
22183 |
1135.8 |
-2.7 |
0.717 |
22 |
6 |
0 |
0.301 |
| Average: |
1153.9 |
-3.5 |
0.679 |
22 |
6 |
0 |
0.301 |
| 3 |
9 |
|
F |
78 |
22 |
22218 |
◊ |
B |
x,y,z |
1_555 |
81 |
21 |
22214 |
704.7 |
-5.1 |
0.449 |
4 |
7 |
0 |
0.065 |
10 |
|
E |
76 |
22 |
22250 |
◊ |
A |
x,y,z |
1_555 |
73 |
20 |
22183 |
696.2 |
-5.9 |
0.353 |
6 |
4 |
0 |
0.065 |
11 |
|
X |
78 |
21 |
22256 |
◊ |
V |
x,y,z |
1_555 |
72 |
21 |
22190 |
696.0 |
-4.4 |
0.489 |
7 |
7 |
0 |
0.065 |
12 |
|
Z |
77 |
21 |
22167 |
◊ |
Y |
x,y,z |
1_555 |
72 |
21 |
22184 |
666.8 |
-4.2 |
0.490 |
6 |
6 |
0 |
0.065 |
| Average: |
690.9 |
-4.9 |
0.445 |
6 |
6 |
0 |
0.065 |
| 4 |
13 |
|
[TPU]E:600 |
26 |
1 |
608 |
f |
E |
x,y,z |
1_555 |
51 |
20 |
22250 |
329.3 |
-3.2 |
0.483 |
10 |
0 |
0 |
0.293 |
14 |
|
[TPU]X:600 |
26 |
1 |
604 |
f |
X |
x,y,z |
1_555 |
50 |
19 |
22256 |
326.8 |
-2.8 |
0.482 |
11 |
0 |
0 |
0.293 |
15 |
|
[TPU]Y:600 |
26 |
1 |
604 |
f |
Y |
x,y,z |
1_555 |
51 |
20 |
22184 |
326.0 |
-3.2 |
0.487 |
10 |
0 |
0 |
0.293 |
16 |
|
[TPU]B:600 |
26 |
1 |
602 |
f |
B |
x,y,z |
1_555 |
51 |
20 |
22214 |
325.5 |
-3.0 |
0.491 |
10 |
0 |
0 |
0.293 |
17 |
|
[TPU]A:600 |
26 |
1 |
603 |
f |
A |
x,y,z |
1_555 |
50 |
19 |
22183 |
325.2 |
-2.5 |
0.491 |
9 |
0 |
0 |
0.293 |
18 |
|
[TPU]F:600 |
26 |
1 |
606 |
f |
F |
x,y,z |
1_555 |
49 |
20 |
22218 |
305.0 |
-3.0 |
0.478 |
11 |
0 |
0 |
0.293 |
19 |
|
[TPU]Z:600 |
26 |
1 |
609 |
f |
Z |
x,y,z |
1_555 |
50 |
20 |
22167 |
304.0 |
-3.1 |
0.479 |
9 |
0 |
0 |
0.293 |
20 |
|
[TPU]V:600 |
26 |
1 |
605 |
f |
V |
x,y,z |
1_555 |
51 |
20 |
22190 |
301.8 |
-2.8 |
0.476 |
10 |
0 |
0 |
0.293 |
| Average: |
318.0 |
-2.9 |
0.483 |
10 |
0 |
0 |
0.293 |
| 5 |
21 |
|
Z |
40 |
14 |
22167 |
◊ |
B |
x,y,z |
1_555 |
38 |
13 |
22214 |
284.1 |
-4.2 |
0.286 |
1 |
0 |
0 |
0.000 |
22 |
|
Y |
37 |
12 |
22184 |
◊ |
F |
x,y,z-1 |
1_554 |
40 |
14 |
22218 |
282.5 |
-4.3 |
0.270 |
1 |
0 |
0 |
0.000 |
| Average: |
283.3 |
-4.3 |
0.278 |
1 |
0 |
0 |
0.000 |
| 6 |
23 |
|
X |
21 |
9 |
22256 |
◊ |
V |
x,y-1,z |
1_545 |
24 |
8 |
22190 |
227.2 |
-1.9 |
0.408 |
1 |
2 |
0 |
0.000 |
24 |
|
E |
24 |
8 |
22250 |
◊ |
A |
x,y-1,z |
1_545 |
22 |
10 |
22183 |
223.5 |
-1.9 |
0.406 |
1 |
2 |
0 |
0.000 |
| Average: |
225.4 |
-1.9 |
0.407 |
1 |
2 |
0 |
0.000 |
| 7 |
25 |
|
B |
21 |
4 |
22214 |
◊ |
Z |
x-1,y,z |
1_455 |
21 |
4 |
22167 |
166.8 |
-1.9 |
0.412 |
0 |
0 |
0 |
0.000 |
26 |
|
F |
21 |
4 |
22218 |
◊ |
Y |
x-1,y,z+1 |
1_456 |
20 |
4 |
22184 |
163.1 |
-1.8 |
0.421 |
0 |
0 |
0 |
0.000 |
| Average: |
164.9 |
-1.8 |
0.416 |
0 |
0 |
0 |
0.000 |
| 8 |
27 |
|
Z |
21 |
5 |
22167 |
◊ |
E |
x,y,z |
1_555 |
14 |
5 |
22250 |
148.7 |
0.1 |
0.663 |
1 |
1 |
0 |
0.000 |
28 |
|
Y |
18 |
5 |
22184 |
◊ |
A |
x,y,z-1 |
1_554 |
15 |
5 |
22183 |
130.5 |
-0.4 |
0.502 |
2 |
1 |
0 |
0.000 |
29 |
|
X |
13 |
5 |
22256 |
◊ |
B |
x,y,z |
1_555 |
18 |
5 |
22214 |
125.1 |
-0.3 |
0.482 |
2 |
1 |
0 |
0.000 |
30 |
|
V |
12 |
5 |
22190 |
◊ |
F |
x,y,z-1 |
1_554 |
14 |
4 |
22218 |
109.7 |
0.2 |
0.502 |
0 |
1 |
0 |
0.000 |
| Average: |
128.5 |
-0.1 |
0.537 |
1 |
1 |
0 |
0.000 |
| 9 |
31 |
|
F |
16 |
8 |
22218 |
◊ |
A |
x-1,y,z |
1_455 |
14 |
7 |
22183 |
140.7 |
-0.3 |
0.620 |
0 |
0 |
0 |
0.000 |
32 |
|
X |
12 |
6 |
22256 |
◊ |
Z |
x-1,y,z |
1_455 |
13 |
6 |
22167 |
127.9 |
-0.1 |
0.646 |
0 |
0 |
0 |
0.000 |
33 |
|
B |
11 |
6 |
22214 |
◊ |
E |
x-1,y,z |
1_455 |
12 |
7 |
22250 |
90.4 |
-0.6 |
0.538 |
0 |
0 |
0 |
0.000 |
34 |
|
V |
10 |
5 |
22190 |
◊ |
Y |
x-1,y,z |
1_455 |
9 |
4 |
22184 |
85.3 |
-0.5 |
0.551 |
0 |
0 |
0 |
0.000 |
| Average: |
111.1 |
-0.4 |
0.589 |
0 |
0 |
0 |
0.000 |
| 10 |
35 |
|
[TPU]Y:600 |
12 |
1 |
604 |
◊ |
X |
x,y,z |
1_555 |
18 |
8 |
22256 |
131.0 |
1.2 |
0.517 |
0 |
0 |
0 |
0.000 |
36 |
|
[TPU]B:600 |
12 |
1 |
602 |
◊ |
A |
x,y,z |
1_555 |
18 |
8 |
22183 |
130.3 |
1.2 |
0.512 |
0 |
0 |
0 |
0.000 |
37 |
|
[TPU]E:600 |
11 |
1 |
608 |
◊ |
F |
x,y,z |
1_555 |
17 |
8 |
22218 |
128.9 |
1.2 |
0.518 |
0 |
0 |
0 |
0.000 |
38 |
|
[TPU]X:600 |
12 |
1 |
604 |
◊ |
Y |
x,y,z |
1_555 |
18 |
8 |
22184 |
128.7 |
1.2 |
0.515 |
0 |
0 |
0 |
0.000 |
39 |
|
[TPU]A:600 |
12 |
1 |
603 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
22214 |
128.2 |
1.1 |
0.527 |
0 |
0 |
0 |
0.000 |
40 |
|
[TPU]Z:600 |
13 |
1 |
609 |
◊ |
V |
x,y,z |
1_555 |
18 |
8 |
22190 |
122.8 |
1.2 |
0.512 |
0 |
0 |
0 |
0.000 |
41 |
|
[TPU]F:600 |
11 |
1 |
606 |
◊ |
E |
x,y,z |
1_555 |
18 |
8 |
22250 |
120.3 |
1.2 |
0.519 |
0 |
0 |
0 |
0.000 |
42 |
|
[TPU]V:600 |
12 |
1 |
605 |
◊ |
Z |
x,y,z |
1_555 |
18 |
8 |
22167 |
118.9 |
1.2 |
0.512 |
0 |
0 |
0 |
0.000 |
| Average: |
126.1 |
1.2 |
0.516 |
0 |
0 |
0 |
0.000 |
| 11 |
43 |
|
X |
13 |
5 |
22256 |
x |
X |
x-1,y,z |
1_455 |
11 |
5 |
22256 |
110.3 |
-0.2 |
0.626 |
2 |
1 |
0 |
0.000 |
44 |
|
A |
8 |
4 |
22183 |
x |
A |
x-1,y,z |
1_455 |
8 |
3 |
22183 |
76.7 |
0.2 |
0.707 |
2 |
2 |
0 |
0.000 |
45 |
|
F |
7 |
2 |
22218 |
x |
F |
x-1,y,z |
1_455 |
6 |
2 |
22218 |
61.4 |
0.4 |
0.722 |
1 |
2 |
0 |
0.000 |
46 |
|
Z |
6 |
2 |
22167 |
x |
Z |
x-1,y,z |
1_455 |
7 |
2 |
22167 |
60.8 |
0.4 |
0.720 |
1 |
2 |
0 |
0.000 |
47 |
|
Y |
6 |
4 |
22184 |
x |
Y |
x-1,y,z |
1_455 |
9 |
3 |
22184 |
54.0 |
0.6 |
0.777 |
2 |
2 |
0 |
0.000 |
48 |
|
B |
8 |
3 |
22214 |
x |
B |
x-1,y,z |
1_455 |
6 |
4 |
22214 |
54.0 |
0.6 |
0.779 |
3 |
2 |
0 |
0.000 |
49 |
|
E |
4 |
1 |
22250 |
x |
E |
x-1,y,z |
1_455 |
6 |
2 |
22250 |
47.3 |
0.5 |
0.744 |
1 |
1 |
0 |
0.000 |
50 |
|
V |
6 |
2 |
22190 |
x |
V |
x-1,y,z |
1_455 |
4 |
1 |
22190 |
47.3 |
0.5 |
0.737 |
1 |
1 |
0 |
0.000 |
| Average: |
64.0 |
0.4 |
0.727 |
2 |
2 |
0 |
0.000 |
| 12 |
51 |
|
[PYR]F:602 |
6 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
14 |
8 |
22218 |
88.4 |
2.6 |
0.470 |
0 |
0 |
0 |
0.000 |
52 |
|
[PYR]V:602 |
6 |
1 |
216 |
◊ |
Z |
x,y,z |
1_555 |
15 |
9 |
22167 |
88.3 |
2.5 |
0.469 |
0 |
0 |
0 |
0.000 |
| Average: |
88.4 |
2.5 |
0.470 |
0 |
0 |
0 |
0.000 |
| 13 |
53 |
|
[PYR]Z:602 |
6 |
1 |
215 |
◊ |
V |
x,y,z |
1_555 |
15 |
8 |
22190 |
85.1 |
2.4 |
0.480 |
1 |
0 |
0 |
0.000 |
| 14 |
54 |
|
[PYR]Z:602 |
6 |
1 |
215 |
f |
Z |
x,y,z |
1_555 |
12 |
7 |
22167 |
59.8 |
0.4 |
0.496 |
1 |
0 |
0 |
0.001 |
| 15 |
55 |
|
[PYR]V:602 |
5 |
1 |
216 |
f |
V |
x,y,z |
1_555 |
9 |
4 |
22190 |
55.5 |
0.3 |
0.462 |
2 |
0 |
0 |
0.005 |
| 16 |
56 |
|
[PYR]F:602 |
6 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
9 |
4 |
22250 |
54.8 |
0.3 |
0.463 |
2 |
0 |
0 |
0.005 |
| 17 |
57 |
|
[PYR]Z:602 |
5 |
1 |
215 |
◊ |
[TPU]V:600 |
x,y,z |
1_555 |
6 |
1 |
605 |
44.3 |
0.9 |
0.719 |
1 |
0 |
0 |
0.000 |
| 18 |
58 |
|
[PYR]V:602 |
5 |
1 |
216 |
◊ |
[TPU]Z:600 |
x,y,z |
1_555 |
5 |
1 |
609 |
42.3 |
0.9 |
0.713 |
1 |
0 |
0 |
0.000 |
| 19 |
59 |
|
[PYR]F:602 |
5 |
1 |
216 |
◊ |
[TPU]F:600 |
x,y,z |
1_555 |
5 |
1 |
606 |
40.8 |
0.8 |
0.713 |
1 |
0 |
0 |
0.000 |
| 20 |
60 |
|
[MG]V:601 |
1 |
1 |
98 |
f |
V |
x,y,z |
1_555 |
9 |
6 |
22190 |
38.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.240 |
61 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
8 |
22183 |
38.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.240 |
62 |
|
[MG]E:601 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
12 |
8 |
22250 |
37.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.240 |
63 |
|
[MG]Z:569 |
1 |
1 |
98 |
f |
Z |
x,y,z |
1_555 |
11 |
8 |
22167 |
37.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.240 |
64 |
|
[MG]Y:601 |
1 |
1 |
98 |
f |
Y |
x,y,z |
1_555 |
10 |
8 |
22184 |
37.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.240 |
65 |
|
[MG]X:601 |
1 |
1 |
98 |
f |
X |
x,y,z |
1_555 |
8 |
7 |
22256 |
37.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.240 |
66 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
8 |
22214 |
37.0 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.240 |
67 |
|
[MG]F:569 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
8 |
22218 |
36.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.240 |
| Average: |
37.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.240 |
| 21 |
68 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
[TPU]B:600 |
x,y,z |
1_555 |
5 |
1 |
602 |
31.3 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.165 |
69 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
[TPU]A:600 |
x,y,z |
1_555 |
5 |
1 |
603 |
31.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.165 |
70 |
|
[MG]E:601 |
1 |
1 |
98 |
f |
[TPU]E:600 |
x,y,z |
1_555 |
6 |
1 |
608 |
31.1 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.165 |
71 |
|
[MG]X:601 |
1 |
1 |
98 |
f |
[TPU]X:600 |
x,y,z |
1_555 |
4 |
1 |
604 |
30.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.165 |
72 |
|
[MG]F:569 |
1 |
1 |
98 |
f |
[TPU]F:600 |
x,y,z |
1_555 |
4 |
1 |
606 |
30.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.165 |
73 |
|
[MG]Y:601 |
1 |
1 |
98 |
f |
[TPU]Y:600 |
x,y,z |
1_555 |
4 |
1 |
604 |
30.4 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.165 |
74 |
|
[MG]Z:569 |
1 |
1 |
98 |
f |
[TPU]Z:600 |
x,y,z |
1_555 |
4 |
1 |
609 |
30.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.165 |
75 |
|
[MG]V:601 |
1 |
1 |
98 |
f |
[TPU]V:600 |
x,y,z |
1_555 |
5 |
1 |
605 |
29.8 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.165 |
| Average: |
30.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.165 |
|