| ## |
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 |
|
B |
210 |
60 |
16963 |
◊ |
A |
x,y,z |
1_555 |
218 |
64 |
16946 |
2157.5 |
-29.7 |
0.256 |
13 |
1 |
0 |
1.000 |
2 |
|
C |
207 |
59 |
17024 |
◊ |
B |
x,y,z |
1_555 |
224 |
65 |
16963 |
2139.3 |
-29.9 |
0.256 |
13 |
2 |
0 |
1.000 |
3 |
|
D |
216 |
58 |
17022 |
◊ |
C |
x,y,z |
1_555 |
225 |
64 |
17024 |
2134.3 |
-27.7 |
0.356 |
13 |
2 |
0 |
1.000 |
4 |
|
E |
207 |
59 |
16953 |
◊ |
D |
x,y,z |
1_555 |
219 |
64 |
17022 |
2122.9 |
-29.7 |
0.256 |
12 |
1 |
0 |
1.000 |
5 |
|
E |
222 |
64 |
16953 |
◊ |
A |
x,y,z |
1_555 |
207 |
59 |
16946 |
2108.5 |
-28.8 |
0.294 |
12 |
1 |
0 |
1.000 |
| Average: |
2132.5 |
-29.2 |
0.284 |
13 |
1 |
0 |
1.000 |
| 2 |
6 |
|
B |
60 |
17 |
16963 |
◊ |
B |
-x,y,-z |
2_555 |
60 |
17 |
16963 |
486.2 |
-3.8 |
0.757 |
10 |
8 |
0 |
0.000 |
| 3 |
7 |
|
D |
47 |
18 |
17022 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
53 |
18 |
16946 |
456.1 |
-1.3 |
0.854 |
6 |
0 |
0 |
0.000 |
| 4 |
8 |
|
C |
45 |
13 |
17024 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
40 |
12 |
16953 |
428.1 |
0.3 |
0.903 |
3 |
10 |
0 |
0.000 |
| 5 |
9 |
|
[PLC]E:320 |
26 |
1 |
701 |
f |
E |
x,y,z |
1_555 |
34 |
10 |
16953 |
289.0 |
2.5 |
0.350 |
0 |
0 |
0 |
0.000 |
10 |
|
[PLC]C:320 |
25 |
1 |
702 |
f |
C |
x,y,z |
1_555 |
34 |
10 |
17024 |
288.2 |
2.4 |
0.373 |
0 |
0 |
0 |
0.000 |
11 |
|
[PLC]D:321 |
25 |
1 |
705 |
f |
D |
x,y,z |
1_555 |
34 |
10 |
17022 |
287.6 |
2.7 |
0.369 |
0 |
0 |
0 |
0.000 |
12 |
|
[PLC]B:320 |
23 |
1 |
703 |
f |
B |
x,y,z |
1_555 |
34 |
10 |
16963 |
287.5 |
2.5 |
0.396 |
0 |
0 |
0 |
0.000 |
13 |
|
[PLC]A:320 |
24 |
1 |
702 |
f |
A |
x,y,z |
1_555 |
34 |
10 |
16946 |
285.4 |
2.3 |
0.384 |
0 |
0 |
0 |
0.000 |
| Average: |
287.5 |
2.5 |
0.374 |
0 |
0 |
0 |
0.000 |
| 6 |
14 |
|
[PFL]C:319 |
13 |
1 |
367 |
f |
C |
x,y,z |
1_555 |
36 |
13 |
17024 |
235.9 |
2.0 |
0.327 |
0 |
0 |
0 |
0.000 |
15 |
|
[PFL]E:319 |
13 |
1 |
368 |
f |
E |
x,y,z |
1_555 |
34 |
13 |
16953 |
235.7 |
1.9 |
0.340 |
0 |
0 |
0 |
0.000 |
16 |
|
[PFL]B:319 |
13 |
1 |
368 |
f |
B |
x,y,z |
1_555 |
32 |
13 |
16963 |
235.1 |
2.0 |
0.332 |
0 |
0 |
0 |
0.000 |
17 |
|
[PFL]A:319 |
13 |
1 |
369 |
f |
A |
x,y,z |
1_555 |
33 |
13 |
16946 |
234.2 |
2.2 |
0.345 |
0 |
0 |
0 |
0.000 |
18 |
|
[PFL]D:320 |
13 |
1 |
368 |
f |
D |
x,y,z |
1_555 |
33 |
13 |
17022 |
222.8 |
1.8 |
0.352 |
0 |
0 |
0 |
0.000 |
| Average: |
232.7 |
2.0 |
0.339 |
0 |
0 |
0 |
0.000 |
| 7 |
19 |
|
[LMT]D:319 |
14 |
1 |
479 |
◊ |
D |
x,y,z |
1_555 |
24 |
7 |
17022 |
155.7 |
2.1 |
0.108 |
0 |
0 |
0 |
0.000 |
| 8 |
20 |
|
[LMT]D:501 |
12 |
1 |
472 |
◊ |
C |
x,y,z |
1_555 |
25 |
7 |
17024 |
151.7 |
1.9 |
0.152 |
0 |
0 |
0 |
0.000 |
| 9 |
21 |
|
[LMT]B:501 |
14 |
1 |
473 |
◊ |
B |
x,y,z |
1_555 |
21 |
7 |
16963 |
148.5 |
2.0 |
0.096 |
0 |
0 |
0 |
0.000 |
| 10 |
22 |
|
[LMT]E:501 |
13 |
1 |
479 |
◊ |
E |
x,y,z |
1_555 |
22 |
7 |
16953 |
142.2 |
1.5 |
0.083 |
0 |
0 |
0 |
0.000 |
23 |
|
[LMT]A:501 |
14 |
1 |
472 |
◊ |
A |
x,y,z |
1_555 |
20 |
6 |
16946 |
139.2 |
1.1 |
0.066 |
0 |
0 |
0 |
0.000 |
| Average: |
140.7 |
1.3 |
0.074 |
0 |
0 |
0 |
0.000 |
| 11 |
24 |
|
[PLC]D:322 |
8 |
1 |
352 |
f |
D |
x,y,z |
1_555 |
22 |
9 |
17022 |
133.4 |
1.2 |
0.237 |
0 |
0 |
0 |
0.000 |
| 12 |
25 |
|
A |
11 |
4 |
16946 |
◊ |
A |
-x,y,-z |
2_555 |
11 |
4 |
16946 |
116.8 |
0.5 |
0.838 |
0 |
0 |
0 |
0.000 |
| 13 |
26 |
|
E |
12 |
4 |
16953 |
◊ |
B |
-x+1,y,-z+1 |
2_656 |
12 |
4 |
16963 |
100.9 |
-2.2 |
0.348 |
0 |
0 |
0 |
0.000 |
27 |
|
A |
12 |
4 |
16946 |
◊ |
A |
-x+1,y,-z+1 |
2_656 |
12 |
4 |
16946 |
100.7 |
-2.3 |
0.342 |
0 |
0 |
0 |
0.000 |
28 |
|
D |
12 |
4 |
17022 |
◊ |
C |
-x+1,y,-z+1 |
2_656 |
12 |
4 |
17024 |
100.2 |
-2.2 |
0.346 |
0 |
0 |
0 |
0.000 |
| Average: |
100.6 |
-2.2 |
0.345 |
0 |
0 |
0 |
0.000 |
| 14 |
29 |
|
[PLC]A:321 |
9 |
1 |
357 |
f |
[PLC]A:320 |
x,y,z |
1_555 |
13 |
1 |
702 |
99.0 |
4.3 |
0.179 |
0 |
0 |
0 |
0.000 |
30 |
|
[PLC]B:321 |
9 |
1 |
354 |
f |
[PLC]B:320 |
x,y,z |
1_555 |
13 |
1 |
703 |
97.3 |
4.2 |
0.158 |
0 |
0 |
0 |
0.000 |
31 |
|
[PLC]E:321 |
9 |
1 |
355 |
f |
[PLC]E:320 |
x,y,z |
1_555 |
13 |
1 |
701 |
97.0 |
4.3 |
0.158 |
0 |
0 |
0 |
0.000 |
32 |
|
[PLC]C:321 |
9 |
1 |
354 |
f |
[PLC]C:320 |
x,y,z |
1_555 |
13 |
1 |
702 |
96.6 |
4.2 |
0.164 |
0 |
0 |
0 |
0.000 |
| Average: |
97.5 |
4.3 |
0.165 |
0 |
0 |
0 |
0.000 |
| 15 |
33 |
|
[LMT]A:502 |
11 |
1 |
812 |
◊ |
B |
x,y,z |
1_555 |
12 |
5 |
16963 |
97.2 |
-0.7 |
0.396 |
2 |
0 |
0 |
0.019 |
| 16 |
34 |
|
[LMT]A:502 |
9 |
1 |
812 |
◊ |
A |
x,y,z |
1_555 |
8 |
4 |
16946 |
90.3 |
-1.1 |
0.298 |
1 |
0 |
0 |
0.018 |
| 17 |
35 |
|
[LMT]A:502 |
13 |
1 |
812 |
◊ |
[LMT]A:501 |
x,y,z |
1_555 |
10 |
1 |
472 |
88.8 |
4.1 |
0.167 |
0 |
0 |
0 |
0.000 |
| 18 |
36 |
|
[LMT]A:502 |
13 |
1 |
812 |
f |
[LMT]E:501 |
x,y,z |
1_555 |
7 |
1 |
479 |
87.0 |
3.6 |
0.242 |
0 |
0 |
0 |
0.000 |
| 19 |
37 |
|
[LMT]A:502 |
12 |
1 |
812 |
◊ |
[LMT]B:501 |
x,y,z |
1_555 |
9 |
1 |
473 |
86.0 |
3.8 |
0.172 |
0 |
0 |
0 |
0.000 |
| 20 |
38 |
|
[LMT]A:502 |
11 |
1 |
812 |
◊ |
C |
x,y,z |
1_555 |
10 |
4 |
17024 |
85.0 |
-3.1 |
0.191 |
1 |
0 |
0 |
0.042 |
| 21 |
39 |
|
[LMT]E:501 |
13 |
1 |
479 |
◊ |
[LMT]A:501 |
x,y,z |
1_555 |
11 |
1 |
472 |
78.8 |
3.5 |
0.010 |
0 |
0 |
0 |
0.000 |
| 22 |
40 |
|
[LMT]A:502 |
8 |
1 |
812 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
17022 |
77.1 |
-3.5 |
0.140 |
1 |
0 |
0 |
0.047 |
| 23 |
41 |
|
[LMT]A:502 |
10 |
1 |
812 |
◊ |
[LMT]D:319 |
x,y,z |
1_555 |
10 |
1 |
479 |
76.8 |
2.9 |
0.118 |
0 |
0 |
0 |
0.000 |
| 24 |
42 |
|
[LMT]A:502 |
12 |
1 |
812 |
◊ |
[LMT]D:501 |
x,y,z |
1_555 |
10 |
1 |
472 |
76.5 |
3.3 |
0.130 |
0 |
0 |
0 |
0.000 |
| 25 |
43 |
|
[LMT]D:501 |
11 |
1 |
472 |
◊ |
[LMT]D:319 |
x,y,z |
1_555 |
12 |
1 |
479 |
71.6 |
3.4 |
0.014 |
0 |
0 |
0 |
0.000 |
| 26 |
44 |
|
[LMT]B:501 |
9 |
1 |
473 |
◊ |
[LMT]A:501 |
x,y,z |
1_555 |
10 |
1 |
472 |
70.9 |
3.7 |
0.035 |
0 |
0 |
0 |
0.000 |
| 27 |
45 |
|
[LMT]E:501 |
12 |
1 |
479 |
◊ |
[LMT]D:319 |
x,y,z |
1_555 |
11 |
1 |
479 |
68.7 |
3.6 |
0.013 |
0 |
0 |
0 |
0.000 |
| 28 |
46 |
|
[LMT]A:502 |
13 |
1 |
812 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
16953 |
67.5 |
-1.2 |
0.281 |
0 |
0 |
0 |
0.015 |
| 29 |
47 |
|
[LMT]D:501 |
10 |
1 |
472 |
◊ |
[LMT]B:501 |
x,y,z |
1_555 |
12 |
1 |
473 |
63.1 |
3.0 |
0.014 |
0 |
0 |
0 |
0.000 |
| 30 |
48 |
|
[LMT]E:501 |
8 |
1 |
479 |
◊ |
A |
x,y,z |
1_555 |
7 |
3 |
16946 |
58.3 |
0.7 |
0.096 |
0 |
0 |
0 |
0.000 |
49 |
|
[LMT]B:501 |
9 |
1 |
473 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
17024 |
53.2 |
0.7 |
0.077 |
0 |
0 |
0 |
0.000 |
50 |
|
[LMT]A:501 |
8 |
1 |
472 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
16963 |
46.8 |
0.7 |
0.075 |
0 |
0 |
0 |
0.000 |
| Average: |
52.8 |
0.7 |
0.083 |
0 |
0 |
0 |
0.000 |
| 31 |
51 |
|
[PLC]D:322 |
5 |
1 |
352 |
f |
[PLC]D:321 |
x,y,z |
1_555 |
5 |
1 |
705 |
55.0 |
2.1 |
0.247 |
0 |
0 |
0 |
0.000 |
| 32 |
52 |
|
[LMT]D:501 |
7 |
1 |
472 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
17022 |
54.9 |
0.8 |
0.088 |
0 |
0 |
0 |
0.000 |
53 |
|
[LMT]D:319 |
6 |
1 |
479 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
16953 |
47.9 |
0.7 |
0.113 |
0 |
0 |
0 |
0.000 |
| Average: |
51.4 |
0.8 |
0.101 |
0 |
0 |
0 |
0.000 |
| 33 |
54 |
|
[PLC]E:320 |
3 |
1 |
701 |
f |
[PFL]E:319 |
x,y,z |
1_555 |
5 |
1 |
368 |
54.1 |
2.4 |
0.409 |
0 |
0 |
0 |
0.000 |
55 |
|
[PLC]C:320 |
3 |
1 |
702 |
f |
[PFL]C:319 |
x,y,z |
1_555 |
5 |
1 |
367 |
54.0 |
2.4 |
0.401 |
0 |
0 |
0 |
0.000 |
56 |
|
[PLC]B:320 |
3 |
1 |
703 |
f |
[PFL]B:319 |
x,y,z |
1_555 |
5 |
1 |
368 |
54.0 |
2.4 |
0.402 |
0 |
0 |
0 |
0.000 |
57 |
|
[PLC]A:320 |
3 |
1 |
702 |
f |
[PFL]A:319 |
x,y,z |
1_555 |
5 |
1 |
369 |
53.3 |
2.3 |
0.404 |
0 |
0 |
0 |
0.000 |
58 |
|
[PLC]D:321 |
3 |
1 |
705 |
f |
[PFL]D:320 |
x,y,z |
1_555 |
5 |
1 |
368 |
52.0 |
2.2 |
0.408 |
0 |
0 |
0 |
0.000 |
| Average: |
53.5 |
2.4 |
0.405 |
0 |
0 |
0 |
0.000 |
| 34 |
59 |
|
[LMT]D:319 |
5 |
1 |
479 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
17024 |
45.4 |
-1.2 |
0.043 |
0 |
0 |
0 |
0.014 |
| 35 |
60 |
|
[PLC]D:322 |
4 |
1 |
352 |
f |
[PFL]D:320 |
x,y,z |
1_555 |
3 |
1 |
368 |
38.2 |
1.7 |
0.282 |
0 |
0 |
0 |
0.000 |
| 36 |
61 |
|
[LMT]A:501 |
3 |
1 |
472 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
16953 |
36.7 |
-1.1 |
0.098 |
0 |
0 |
0 |
0.024 |
62 |
|
[LMT]E:501 |
4 |
1 |
479 |
f |
D |
x,y,z |
1_555 |
3 |
3 |
17022 |
31.8 |
-0.9 |
0.066 |
0 |
0 |
0 |
0.024 |
| Average: |
34.2 |
-1.0 |
0.082 |
0 |
0 |
0 |
0.024 |
| 37 |
63 |
|
[LMT]B:501 |
3 |
1 |
473 |
f |
A |
x,y,z |
1_555 |
4 |
3 |
16946 |
35.5 |
-0.9 |
0.097 |
0 |
0 |
0 |
0.011 |
| 38 |
64 |
|
[LMT]D:501 |
4 |
1 |
472 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
16963 |
31.5 |
-0.9 |
0.088 |
0 |
0 |
0 |
0.010 |
| 39 |
65 |
|
C |
4 |
2 |
17024 |
◊ |
A |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
16946 |
25.6 |
0.3 |
0.786 |
0 |
0 |
0 |
0.000 |
66 |
|
D |
2 |
1 |
17022 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
16953 |
14.7 |
0.0 |
0.654 |
0 |
0 |
0 |
0.000 |
| Average: |
20.1 |
0.1 |
0.720 |
0 |
0 |
0 |
0.000 |
| 40 |
67 |
|
[PLC]E:321 |
5 |
1 |
355 |
f |
[PFL]E:319 |
x,y,z |
1_555 |
2 |
1 |
368 |
18.2 |
1.0 |
0.186 |
0 |
0 |
0 |
0.000 |
68 |
|
[PLC]A:321 |
5 |
1 |
357 |
f |
[PFL]A:319 |
x,y,z |
1_555 |
2 |
1 |
369 |
18.1 |
1.0 |
0.190 |
0 |
0 |
0 |
0.000 |
69 |
|
[PLC]B:321 |
5 |
1 |
354 |
f |
[PFL]B:319 |
x,y,z |
1_555 |
2 |
1 |
368 |
18.0 |
0.9 |
0.160 |
0 |
0 |
0 |
0.000 |
70 |
|
[PLC]C:321 |
5 |
1 |
354 |
f |
[PFL]C:319 |
x,y,z |
1_555 |
2 |
1 |
367 |
16.5 |
0.9 |
0.160 |
0 |
0 |
0 |
0.000 |
| Average: |
17.7 |
1.0 |
0.174 |
0 |
0 |
0 |
0.000 |
| 41 |
71 |
|
[PLC]E:321 |
1 |
1 |
355 |
f |
E |
x,y,z |
1_555 |
1 |
1 |
16953 |
0.6 |
-0.0 |
0.370 |
0 |
0 |
0 |
0.000 |
72 |
|
[PLC]B:321 |
1 |
1 |
354 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
16963 |
0.3 |
-0.0 |
0.375 |
0 |
0 |
0 |
0.000 |
| Average: |
0.5 |
-0.0 |
0.373 |
0 |
0 |
0 |
0.000 |
|