## |
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 |
249 |
68 |
17312 |
◊ |
A |
x,y,z |
1_555 |
270 |
65 |
17067 |
2507.2 |
-24.9 |
0.178 |
39 |
6 |
0 |
0.252 |
2 |
|
G |
254 |
64 |
17576 |
◊ |
E |
x,y,z |
1_555 |
255 |
70 |
17488 |
2468.4 |
-23.1 |
0.248 |
42 |
4 |
0 |
0.252 |
3 |
|
D |
261 |
65 |
17395 |
◊ |
C |
x,y,z |
1_555 |
250 |
69 |
17200 |
2463.4 |
-24.4 |
0.204 |
37 |
6 |
0 |
0.252 |
4 |
|
H |
256 |
65 |
17200 |
◊ |
G |
x,y,z |
1_555 |
256 |
69 |
17576 |
2452.4 |
-19.4 |
0.351 |
37 |
5 |
0 |
0.252 |
5 |
|
F |
254 |
70 |
17081 |
◊ |
E |
x,y,z |
1_555 |
249 |
64 |
17488 |
2438.5 |
-24.6 |
0.182 |
32 |
3 |
0 |
0.252 |
6 |
|
H |
253 |
68 |
17200 |
◊ |
F |
x,y,z |
1_555 |
255 |
64 |
17081 |
2424.7 |
-24.7 |
0.166 |
36 |
6 |
0 |
0.252 |
7 |
|
C |
246 |
64 |
17200 |
◊ |
A |
x,y,z |
1_555 |
253 |
66 |
17067 |
2417.3 |
-24.3 |
0.206 |
37 |
4 |
0 |
0.252 |
8 |
|
D |
247 |
68 |
17395 |
◊ |
B |
x,y,z |
1_555 |
252 |
63 |
17312 |
2413.2 |
-26.2 |
0.126 |
40 |
6 |
0 |
0.252 |
Average: |
2448.1 |
-23.9 |
0.208 |
38 |
5 |
0 |
0.252 |
2 |
9 |
|
D |
53 |
16 |
17395 |
◊ |
A |
x,y-1,z |
1_545 |
44 |
16 |
17067 |
385.3 |
1.2 |
0.830 |
4 |
0 |
0 |
0.000 |
3 |
10 |
|
[IMP]B:500 |
22 |
1 |
495 |
f |
B |
x,y,z |
1_555 |
53 |
26 |
17312 |
314.8 |
-5.7 |
0.457 |
10 |
0 |
0 |
0.061 |
11 |
|
[IMP]F:500 |
22 |
1 |
494 |
f |
F |
x,y,z |
1_555 |
51 |
26 |
17081 |
314.8 |
-5.6 |
0.459 |
10 |
0 |
0 |
0.061 |
12 |
|
[IMP]D:501 |
22 |
1 |
494 |
f |
D |
x,y,z |
1_555 |
52 |
26 |
17395 |
313.6 |
-5.4 |
0.470 |
11 |
0 |
0 |
0.061 |
13 |
|
[IMP]A:501 |
23 |
1 |
496 |
f |
A |
x,y,z |
1_555 |
50 |
26 |
17067 |
312.8 |
-5.7 |
0.451 |
11 |
0 |
0 |
0.061 |
14 |
|
[IMP]C:501 |
22 |
1 |
496 |
f |
C |
x,y,z |
1_555 |
51 |
24 |
17200 |
310.8 |
-5.8 |
0.455 |
10 |
0 |
0 |
0.061 |
15 |
|
[IMP]G:501 |
22 |
1 |
490 |
f |
G |
x,y,z |
1_555 |
53 |
26 |
17576 |
309.8 |
-6.0 |
0.436 |
9 |
0 |
0 |
0.061 |
16 |
|
[IMP]H:501 |
22 |
1 |
489 |
f |
H |
x,y,z |
1_555 |
51 |
26 |
17200 |
309.5 |
-5.9 |
0.420 |
11 |
0 |
0 |
0.061 |
17 |
|
[IMP]E:501 |
22 |
1 |
495 |
f |
E |
x,y,z |
1_555 |
48 |
24 |
17488 |
309.1 |
-5.8 |
0.434 |
10 |
0 |
0 |
0.061 |
Average: |
311.9 |
-5.7 |
0.448 |
10 |
0 |
0 |
0.061 |
4 |
18 |
|
[8L4]C:502 |
23 |
1 |
557 |
f |
C |
x,y,z |
1_555 |
39 |
14 |
17200 |
305.0 |
-4.7 |
0.246 |
3 |
0 |
0 |
0.033 |
19 |
|
[8L4]H:502 |
23 |
1 |
561 |
f |
H |
x,y,z |
1_555 |
41 |
14 |
17200 |
283.8 |
-4.3 |
0.375 |
4 |
0 |
0 |
0.033 |
20 |
|
[8L4]F:501 |
23 |
1 |
551 |
f |
F |
x,y,z |
1_555 |
35 |
13 |
17081 |
268.3 |
-3.9 |
0.326 |
3 |
0 |
0 |
0.033 |
21 |
|
[8L4]G:502 |
23 |
1 |
556 |
f |
G |
x,y,z |
1_555 |
37 |
15 |
17576 |
264.7 |
-3.8 |
0.358 |
3 |
0 |
0 |
0.033 |
22 |
|
[8L4]D:502 |
23 |
1 |
556 |
f |
D |
x,y,z |
1_555 |
37 |
15 |
17395 |
263.0 |
-3.6 |
0.380 |
3 |
0 |
0 |
0.033 |
23 |
|
[8L4]A:502 |
23 |
1 |
557 |
f |
A |
x,y,z |
1_555 |
36 |
13 |
17067 |
261.4 |
-3.4 |
0.410 |
3 |
0 |
0 |
0.033 |
24 |
|
[8L4]E:502 |
23 |
1 |
558 |
f |
E |
x,y,z |
1_555 |
35 |
14 |
17488 |
260.9 |
-4.0 |
0.327 |
4 |
0 |
0 |
0.033 |
Average: |
272.5 |
-4.0 |
0.346 |
3 |
0 |
0 |
0.033 |
5 |
25 |
|
[8L4]B:501 |
22 |
1 |
558 |
f |
B |
x,y,z |
1_555 |
36 |
13 |
17312 |
267.7 |
-3.7 |
0.370 |
3 |
0 |
0 |
0.007 |
6 |
26 |
|
F |
24 |
7 |
17081 |
◊ |
C |
x,y,z |
1_555 |
27 |
10 |
17200 |
236.0 |
-1.0 |
0.484 |
2 |
0 |
0 |
0.000 |
27 |
|
E |
22 |
10 |
17488 |
◊ |
A |
x,y,z-1 |
1_554 |
23 |
6 |
17067 |
181.3 |
-2.8 |
0.330 |
1 |
0 |
0 |
0.000 |
Average: |
208.7 |
-1.9 |
0.407 |
2 |
0 |
0 |
0.000 |
7 |
28 |
|
G |
16 |
4 |
17576 |
◊ |
B |
x-1,y,z-1 |
1_454 |
18 |
4 |
17312 |
186.5 |
-1.0 |
0.482 |
2 |
0 |
0 |
0.000 |
29 |
|
H |
17 |
5 |
17200 |
◊ |
D |
x-1,y,z |
1_455 |
16 |
3 |
17395 |
162.0 |
-2.1 |
0.333 |
1 |
0 |
0 |
0.000 |
Average: |
174.3 |
-1.5 |
0.408 |
2 |
0 |
0 |
0.000 |
8 |
30 |
|
H |
19 |
7 |
17200 |
◊ |
E |
x-1,y,z |
1_455 |
17 |
5 |
17488 |
170.7 |
1.6 |
0.798 |
3 |
4 |
0 |
0.000 |
31 |
|
C |
16 |
6 |
17200 |
◊ |
B |
x-1,y,z |
1_455 |
9 |
3 |
17312 |
116.8 |
1.1 |
0.815 |
1 |
1 |
0 |
0.000 |
Average: |
143.7 |
1.4 |
0.806 |
2 |
3 |
0 |
0.000 |
9 |
32 |
|
G |
20 |
5 |
17576 |
◊ |
C |
x,y,z |
1_555 |
20 |
6 |
17200 |
160.1 |
-0.3 |
0.637 |
1 |
0 |
0 |
0.000 |
33 |
|
E |
21 |
6 |
17488 |
◊ |
D |
x,y,z-1 |
1_554 |
19 |
4 |
17395 |
144.9 |
-0.1 |
0.665 |
2 |
0 |
0 |
0.000 |
Average: |
152.5 |
-0.2 |
0.651 |
2 |
0 |
0 |
0.000 |
10 |
34 |
|
E |
18 |
7 |
17488 |
◊ |
B |
x-1,y,z-1 |
1_454 |
19 |
5 |
17312 |
152.2 |
-0.5 |
0.540 |
1 |
0 |
0 |
0.000 |
35 |
|
H |
12 |
3 |
17200 |
◊ |
C |
x-1,y,z |
1_455 |
17 |
6 |
17200 |
147.2 |
0.3 |
0.621 |
3 |
0 |
0 |
0.000 |
Average: |
149.7 |
-0.1 |
0.580 |
2 |
0 |
0 |
0.000 |
11 |
36 |
|
[8L4]F:501 |
10 |
1 |
551 |
◊ |
E |
x,y,z |
1_555 |
21 |
7 |
17488 |
135.6 |
-5.3 |
0.343 |
1 |
0 |
0 |
0.032 |
37 |
|
[8L4]C:502 |
11 |
1 |
557 |
◊ |
D |
x,y,z |
1_555 |
21 |
7 |
17395 |
134.9 |
-5.1 |
0.363 |
1 |
0 |
0 |
0.032 |
38 |
|
[8L4]A:502 |
12 |
1 |
557 |
◊ |
C |
x,y,z |
1_555 |
23 |
7 |
17200 |
134.7 |
-4.9 |
0.395 |
1 |
0 |
0 |
0.032 |
39 |
|
[8L4]B:501 |
11 |
1 |
558 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
17067 |
133.8 |
-5.2 |
0.345 |
0 |
0 |
0 |
0.032 |
40 |
|
[8L4]E:502 |
12 |
1 |
558 |
◊ |
G |
x,y,z |
1_555 |
20 |
7 |
17576 |
133.5 |
-5.0 |
0.376 |
0 |
0 |
0 |
0.032 |
41 |
|
[8L4]H:502 |
12 |
1 |
561 |
◊ |
F |
x,y,z |
1_555 |
21 |
7 |
17081 |
133.3 |
-4.9 |
0.384 |
0 |
0 |
0 |
0.032 |
42 |
|
[8L4]G:502 |
10 |
1 |
556 |
◊ |
H |
x,y,z |
1_555 |
21 |
7 |
17200 |
132.9 |
-5.0 |
0.356 |
1 |
0 |
0 |
0.032 |
43 |
|
[8L4]D:502 |
11 |
1 |
556 |
◊ |
B |
x,y,z |
1_555 |
20 |
7 |
17312 |
130.8 |
-4.8 |
0.376 |
1 |
0 |
0 |
0.032 |
Average: |
133.7 |
-5.0 |
0.367 |
1 |
0 |
0 |
0.032 |
12 |
44 |
|
E |
12 |
3 |
17488 |
◊ |
A |
x,y,z |
1_555 |
9 |
3 |
17067 |
124.2 |
-1.8 |
0.241 |
1 |
0 |
0 |
0.000 |
45 |
|
F |
5 |
2 |
17081 |
◊ |
C |
x,y,z-1 |
1_554 |
9 |
3 |
17200 |
78.0 |
-1.8 |
0.107 |
0 |
0 |
0 |
0.000 |
Average: |
101.1 |
-1.8 |
0.174 |
1 |
0 |
0 |
0.000 |
13 |
46 |
|
F |
13 |
4 |
17081 |
◊ |
G |
x,y-1,z |
1_545 |
18 |
6 |
17576 |
122.9 |
-0.7 |
0.525 |
0 |
0 |
0 |
0.000 |
14 |
47 |
|
[K]G:503 |
1 |
1 |
216 |
f |
G |
x,y,z |
1_555 |
15 |
8 |
17576 |
88.2 |
-60.2 |
0.000 |
0 |
0 |
0 |
0.357 |
48 |
|
[K]C:503 |
1 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
17 |
8 |
17200 |
88.0 |
-60.0 |
0.000 |
0 |
0 |
0 |
0.357 |
49 |
|
[K]E:504 |
1 |
1 |
216 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
17488 |
87.6 |
-60.4 |
0.000 |
0 |
0 |
0 |
0.357 |
50 |
|
[K]B:502 |
1 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
15 |
8 |
17395 |
87.3 |
-59.8 |
0.000 |
0 |
0 |
0 |
0.357 |
51 |
|
[K]A:504 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
16 |
8 |
17067 |
87.1 |
-59.2 |
0.000 |
0 |
0 |
0 |
0.357 |
52 |
|
[K]A:503 |
1 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
17312 |
86.9 |
-59.1 |
0.000 |
0 |
0 |
0 |
0.357 |
53 |
|
[K]E:503 |
1 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
15 |
8 |
17081 |
86.7 |
-59.7 |
0.000 |
0 |
0 |
0 |
0.357 |
54 |
|
[K]F:502 |
1 |
1 |
216 |
f |
H |
x,y,z |
1_555 |
15 |
8 |
17200 |
86.5 |
-58.9 |
0.000 |
0 |
0 |
0 |
0.357 |
Average: |
87.3 |
-59.7 |
0.000 |
0 |
0 |
0 |
0.357 |
15 |
55 |
|
C |
12 |
5 |
17200 |
◊ |
D |
x-1,y,z |
1_455 |
7 |
3 |
17395 |
85.0 |
2.2 |
0.899 |
2 |
1 |
0 |
0.000 |
56 |
|
G |
6 |
3 |
17576 |
◊ |
E |
x-1,y,z |
1_455 |
7 |
5 |
17488 |
56.6 |
0.7 |
0.787 |
1 |
0 |
0 |
0.000 |
Average: |
70.8 |
1.4 |
0.843 |
2 |
1 |
0 |
0.000 |
16 |
57 |
|
E |
9 |
4 |
17488 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
17312 |
81.7 |
-0.0 |
0.489 |
1 |
0 |
0 |
0.000 |
58 |
|
H |
6 |
3 |
17200 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
17200 |
48.4 |
-0.1 |
0.531 |
0 |
0 |
0 |
0.000 |
Average: |
65.0 |
-0.0 |
0.510 |
1 |
0 |
0 |
0.000 |
17 |
59 |
|
[K]A:504 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
14 |
5 |
17200 |
77.0 |
-48.6 |
0.000 |
0 |
0 |
0 |
0.287 |
60 |
|
[K]A:503 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
17067 |
77.0 |
-48.8 |
0.000 |
0 |
0 |
0 |
0.287 |
61 |
|
[K]B:502 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
14 |
5 |
17312 |
76.9 |
-47.9 |
0.000 |
0 |
0 |
0 |
0.287 |
62 |
|
[K]F:502 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
12 |
5 |
17081 |
76.5 |
-49.0 |
0.000 |
0 |
0 |
0 |
0.287 |
63 |
|
[K]E:503 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
14 |
5 |
17488 |
76.0 |
-48.2 |
0.000 |
0 |
0 |
0 |
0.287 |
64 |
|
[K]C:503 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
17395 |
75.5 |
-48.0 |
0.000 |
0 |
0 |
0 |
0.287 |
65 |
|
[K]E:504 |
1 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
14 |
5 |
17576 |
75.1 |
-47.0 |
0.000 |
0 |
0 |
0 |
0.287 |
66 |
|
[K]G:503 |
1 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
12 |
5 |
17200 |
75.0 |
-48.1 |
0.000 |
0 |
0 |
0 |
0.287 |
Average: |
76.1 |
-48.2 |
0.000 |
0 |
0 |
0 |
0.287 |
18 |
67 |
|
A |
5 |
2 |
17067 |
◊ |
B |
x-1,y,z |
1_455 |
8 |
3 |
17312 |
67.1 |
-0.1 |
0.558 |
0 |
0 |
0 |
0.000 |
68 |
|
H |
2 |
1 |
17200 |
◊ |
F |
x-1,y,z |
1_455 |
1 |
1 |
17081 |
3.9 |
-0.0 |
0.630 |
0 |
0 |
0 |
0.000 |
Average: |
35.5 |
-0.0 |
0.594 |
0 |
0 |
0 |
0.000 |
19 |
69 |
|
[8L4]G:502 |
8 |
1 |
556 |
f |
[IMP]G:501 |
x,y,z |
1_555 |
12 |
1 |
490 |
59.4 |
2.5 |
0.656 |
0 |
0 |
0 |
0.000 |
70 |
|
[8L4]F:501 |
8 |
1 |
551 |
f |
[IMP]F:500 |
x,y,z |
1_555 |
12 |
1 |
494 |
56.5 |
2.4 |
0.658 |
0 |
0 |
0 |
0.000 |
71 |
|
[8L4]C:502 |
8 |
1 |
557 |
f |
[IMP]C:501 |
x,y,z |
1_555 |
11 |
1 |
496 |
55.9 |
2.4 |
0.656 |
0 |
0 |
0 |
0.000 |
72 |
|
[8L4]D:502 |
8 |
1 |
556 |
f |
[IMP]D:501 |
x,y,z |
1_555 |
11 |
1 |
494 |
54.2 |
2.3 |
0.652 |
0 |
0 |
0 |
0.000 |
73 |
|
[8L4]A:502 |
8 |
1 |
557 |
f |
[IMP]A:501 |
x,y,z |
1_555 |
11 |
1 |
496 |
53.7 |
2.3 |
0.668 |
0 |
0 |
0 |
0.000 |
74 |
|
[8L4]E:502 |
8 |
1 |
558 |
f |
[IMP]E:501 |
x,y,z |
1_555 |
9 |
1 |
495 |
51.2 |
2.2 |
0.673 |
0 |
0 |
0 |
0.000 |
75 |
|
[8L4]H:502 |
7 |
1 |
561 |
f |
[IMP]H:501 |
x,y,z |
1_555 |
9 |
1 |
489 |
50.7 |
2.1 |
0.662 |
0 |
0 |
0 |
0.000 |
Average: |
54.5 |
2.3 |
0.661 |
0 |
0 |
0 |
0.000 |
20 |
76 |
|
[8L4]B:501 |
8 |
1 |
558 |
f |
[IMP]B:500 |
x,y,z |
1_555 |
11 |
1 |
495 |
52.5 |
2.2 |
0.648 |
0 |
0 |
0 |
0.000 |
21 |
77 |
|
G |
4 |
2 |
17576 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
17067 |
43.5 |
0.3 |
0.723 |
0 |
0 |
0 |
0.000 |
78 |
|
F |
4 |
3 |
17081 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
2 |
17395 |
14.0 |
0.2 |
0.706 |
0 |
0 |
0 |
0.000 |
Average: |
28.7 |
0.2 |
0.715 |
0 |
0 |
0 |
0.000 |
22 |
79 |
|
E |
4 |
2 |
17488 |
◊ |
C |
x,y,z-1 |
1_554 |
4 |
1 |
17200 |
35.0 |
0.3 |
0.714 |
0 |
0 |
0 |
0.000 |
80 |
|
E |
5 |
1 |
17488 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
17200 |
32.0 |
0.1 |
0.673 |
0 |
0 |
0 |
0.000 |
Average: |
33.5 |
0.2 |
0.693 |
0 |
0 |
0 |
0.000 |
23 |
81 |
|
C |
3 |
1 |
17200 |
◊ |
G |
x,y-1,z |
1_545 |
5 |
3 |
17576 |
26.9 |
-0.2 |
0.535 |
0 |
0 |
0 |
0.000 |
24 |
82 |
|
[IMP]D:501 |
2 |
1 |
494 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
17312 |
13.5 |
-0.9 |
0.398 |
0 |
0 |
0 |
0.004 |
83 |
|
[IMP]H:501 |
2 |
1 |
489 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
17081 |
13.3 |
-0.9 |
0.404 |
0 |
0 |
0 |
0.004 |
84 |
|
[IMP]A:501 |
2 |
1 |
496 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
17200 |
12.8 |
-0.8 |
0.391 |
0 |
0 |
0 |
0.004 |
85 |
|
[IMP]E:501 |
1 |
1 |
495 |
◊ |
G |
x,y,z |
1_555 |
2 |
1 |
17576 |
12.2 |
-0.8 |
0.305 |
0 |
0 |
0 |
0.004 |
86 |
|
[IMP]C:501 |
1 |
1 |
496 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
17395 |
11.0 |
-0.3 |
0.441 |
0 |
0 |
0 |
0.004 |
87 |
|
[IMP]B:500 |
2 |
1 |
495 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
17067 |
11.0 |
-0.7 |
0.430 |
0 |
0 |
0 |
0.004 |
88 |
|
[IMP]F:500 |
1 |
1 |
494 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
17488 |
10.1 |
-0.2 |
0.437 |
0 |
0 |
0 |
0.004 |
89 |
|
[IMP]G:501 |
1 |
1 |
490 |
◊ |
H |
x,y,z |
1_555 |
2 |
1 |
17200 |
6.4 |
-0.2 |
0.415 |
0 |
0 |
0 |
0.004 |
Average: |
11.3 |
-0.6 |
0.403 |
0 |
0 |
0 |
0.004 |
25 |
90 |
|
[K]E:504 |
1 |
1 |
216 |
f |
[IMP]E:501 |
x,y,z |
1_555 |
1 |
1 |
495 |
1.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.001 |
91 |
|
[K]E:503 |
1 |
1 |
216 |
f |
[IMP]F:500 |
x,y,z |
1_555 |
1 |
1 |
494 |
0.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
92 |
|
[K]C:503 |
1 |
1 |
216 |
f |
[IMP]C:501 |
x,y,z |
1_555 |
1 |
1 |
496 |
0.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
93 |
|
[K]B:502 |
1 |
1 |
216 |
f |
[IMP]D:501 |
x,y,z |
1_555 |
1 |
1 |
494 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
Average: |
0.6 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.001 |
|