## |
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 |
|
E |
143 |
40 |
14657 |
◊ |
F |
x,y,z |
1_555 |
140 |
40 |
13458 |
1370.9 |
-9.8 |
0.726 |
20 |
14 |
0 |
0.444 |
2 |
2 |
|
D |
143 |
41 |
14401 |
◊ |
C |
x,y,z |
1_555 |
151 |
41 |
11558 |
1367.3 |
-10.4 |
0.606 |
19 |
12 |
0 |
0.456 |
3 |
|
B |
142 |
40 |
11364 |
◊ |
A |
x,y,z |
1_555 |
143 |
40 |
11522 |
1362.4 |
-11.0 |
0.763 |
20 |
13 |
0 |
0.456 |
Average: |
1364.9 |
-10.7 |
0.685 |
20 |
13 |
0 |
0.456 |
3 |
4 |
|
H |
145 |
40 |
14465 |
◊ |
G |
x,y,z |
1_555 |
139 |
39 |
13707 |
1362.5 |
-11.3 |
0.768 |
19 |
16 |
0 |
0.436 |
4 |
5 |
|
[B12]C:300 |
80 |
1 |
1530 |
f |
C |
x,y,z |
1_555 |
120 |
40 |
11558 |
985.5 |
-12.1 |
0.608 |
16 |
0 |
0 |
0.750 |
6 |
|
[B12]B:300 |
78 |
1 |
1526 |
f |
B |
x,y,z |
1_555 |
115 |
38 |
11364 |
980.2 |
-11.5 |
0.704 |
12 |
0 |
0 |
0.750 |
7 |
|
[B12]A:300 |
79 |
1 |
1537 |
f |
A |
x,y,z |
1_555 |
120 |
39 |
11522 |
965.8 |
-12.9 |
0.591 |
10 |
0 |
0 |
0.750 |
8 |
|
[B12]D:300 |
77 |
1 |
1512 |
f |
D |
x,y,z |
1_555 |
118 |
39 |
14401 |
947.9 |
-14.1 |
0.412 |
13 |
0 |
0 |
0.750 |
9 |
|
[B12]G:300 |
78 |
1 |
1526 |
f |
G |
x,y,z |
1_555 |
112 |
40 |
13707 |
947.2 |
-15.0 |
0.480 |
12 |
0 |
0 |
0.750 |
10 |
|
[B12]F:300 |
77 |
1 |
1519 |
f |
F |
x,y,z |
1_555 |
115 |
38 |
13458 |
939.1 |
-12.9 |
0.523 |
9 |
0 |
0 |
0.750 |
Average: |
960.9 |
-13.1 |
0.553 |
12 |
0 |
0 |
0.750 |
5 |
11 |
|
[B12]E:300 |
81 |
1 |
1527 |
f |
E |
x,y,z |
1_555 |
116 |
39 |
14657 |
968.3 |
-13.4 |
0.563 |
9 |
0 |
0 |
0.370 |
6 |
12 |
|
[B12]H:300 |
78 |
1 |
1521 |
f |
H |
x,y,z |
1_555 |
113 |
39 |
14465 |
959.4 |
-10.9 |
0.764 |
10 |
0 |
0 |
0.303 |
7 |
13 |
|
H |
96 |
28 |
14465 |
◊ |
E |
x,y,z |
1_555 |
121 |
36 |
14657 |
951.2 |
-10.5 |
0.554 |
4 |
0 |
0 |
0.097 |
8 |
14 |
|
G |
86 |
25 |
13707 |
◊ |
F |
x,y,z |
1_555 |
87 |
28 |
13458 |
794.9 |
-6.0 |
0.588 |
4 |
0 |
0 |
0.118 |
15 |
|
D |
88 |
26 |
14401 |
◊ |
A |
x,y,z |
1_555 |
82 |
24 |
11522 |
744.2 |
-5.4 |
0.616 |
4 |
0 |
0 |
0.118 |
16 |
|
C |
73 |
22 |
11558 |
◊ |
B |
x,y,z |
1_555 |
71 |
21 |
11364 |
649.2 |
-5.7 |
0.609 |
4 |
0 |
0 |
0.118 |
Average: |
729.4 |
-5.7 |
0.604 |
4 |
0 |
0 |
0.118 |
9 |
17 |
|
E |
73 |
21 |
14657 |
◊ |
G |
x,y,z |
1_555 |
82 |
21 |
13707 |
692.0 |
-2.6 |
0.817 |
10 |
11 |
0 |
0.069 |
10 |
18 |
|
C |
72 |
21 |
11558 |
◊ |
A |
x,y,z |
1_555 |
75 |
21 |
11522 |
678.9 |
-2.7 |
0.797 |
11 |
9 |
0 |
0.072 |
11 |
19 |
|
G |
58 |
14 |
13707 |
◊ |
D |
x,y,z |
1_555 |
54 |
14 |
14401 |
481.5 |
-2.0 |
0.632 |
1 |
0 |
0 |
0.000 |
12 |
20 |
|
E |
39 |
11 |
14657 |
◊ |
D |
x,y,z |
1_555 |
39 |
12 |
14401 |
385.2 |
-2.6 |
0.448 |
4 |
3 |
0 |
0.000 |
13 |
21 |
|
D |
33 |
9 |
14401 |
◊ |
E |
x-1,y,z |
1_455 |
38 |
14 |
14657 |
355.1 |
-3.6 |
0.453 |
4 |
0 |
0 |
0.000 |
14 |
22 |
|
F |
40 |
15 |
13458 |
◊ |
E |
x-1,y-1,z |
1_445 |
32 |
9 |
14657 |
354.0 |
-3.7 |
0.488 |
2 |
0 |
0 |
0.000 |
15 |
23 |
|
D |
33 |
11 |
14401 |
◊ |
B |
x,y-1,z |
1_545 |
40 |
12 |
11364 |
331.8 |
-1.4 |
0.734 |
6 |
5 |
0 |
0.000 |
16 |
24 |
|
E |
26 |
6 |
14657 |
x |
E |
x-1,y,z |
1_455 |
31 |
10 |
14657 |
289.2 |
-2.2 |
0.586 |
6 |
3 |
0 |
0.000 |
17 |
25 |
|
G |
26 |
11 |
13707 |
◊ |
B |
x,y-1,z |
1_545 |
27 |
9 |
11364 |
243.4 |
-4.9 |
0.283 |
0 |
0 |
0 |
0.000 |
26 |
|
F |
28 |
11 |
13458 |
◊ |
C |
x,y,z-1 |
1_554 |
25 |
11 |
11558 |
233.1 |
-3.4 |
0.412 |
0 |
0 |
0 |
0.000 |
Average: |
238.2 |
-4.1 |
0.348 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
G |
22 |
7 |
13707 |
◊ |
H |
x,y-1,z |
1_545 |
27 |
13 |
14465 |
218.3 |
-5.3 |
0.208 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
H |
28 |
9 |
14465 |
◊ |
B |
x,y-1,z |
1_545 |
24 |
6 |
11364 |
216.1 |
-1.2 |
0.741 |
1 |
0 |
0 |
0.000 |
20 |
29 |
|
F |
25 |
7 |
13458 |
◊ |
D |
x,y,z-1 |
1_554 |
30 |
10 |
14401 |
210.6 |
-1.8 |
0.575 |
1 |
0 |
0 |
0.000 |
21 |
30 |
|
[5AD]B:301 |
16 |
1 |
412 |
f |
B |
x,y,z |
1_555 |
24 |
7 |
11364 |
180.1 |
1.3 |
0.402 |
0 |
0 |
0 |
0.000 |
31 |
|
[5AD]C:301 |
16 |
1 |
412 |
f |
C |
x,y,z |
1_555 |
25 |
7 |
11558 |
174.9 |
1.0 |
0.368 |
0 |
0 |
0 |
0.000 |
32 |
|
[5AD]G:301 |
15 |
1 |
412 |
f |
G |
x,y,z |
1_555 |
23 |
6 |
13707 |
167.2 |
0.5 |
0.313 |
0 |
0 |
0 |
0.000 |
33 |
|
[5AD]F:301 |
15 |
1 |
413 |
f |
F |
x,y,z |
1_555 |
25 |
7 |
13458 |
166.8 |
0.7 |
0.322 |
0 |
0 |
0 |
0.000 |
34 |
|
[5AD]A:301 |
14 |
1 |
413 |
f |
A |
x,y,z |
1_555 |
24 |
6 |
11522 |
162.6 |
0.4 |
0.342 |
0 |
0 |
0 |
0.000 |
Average: |
170.3 |
0.8 |
0.349 |
0 |
0 |
0 |
0.000 |
22 |
35 |
|
[5AD]E:301 |
15 |
1 |
413 |
f |
E |
x,y,z |
1_555 |
23 |
7 |
14657 |
170.6 |
0.9 |
0.368 |
0 |
0 |
0 |
0.000 |
23 |
36 |
|
[5AD]D:301 |
16 |
1 |
412 |
f |
D |
x,y,z |
1_555 |
24 |
6 |
14401 |
165.9 |
0.4 |
0.306 |
0 |
0 |
0 |
0.000 |
24 |
37 |
|
[5AD]H:301 |
15 |
1 |
414 |
f |
H |
x,y,z |
1_555 |
22 |
6 |
14465 |
164.8 |
0.2 |
0.360 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
F |
20 |
7 |
13458 |
◊ |
H |
x-1,y-1,z |
1_445 |
22 |
7 |
14465 |
157.3 |
-3.0 |
0.459 |
3 |
0 |
0 |
0.000 |
26 |
39 |
|
[5AD]G:301 |
15 |
1 |
412 |
f |
[B12]G:300 |
x,y,z |
1_555 |
21 |
1 |
1526 |
129.6 |
2.0 |
0.486 |
0 |
0 |
0 |
0.000 |
40 |
|
[5AD]D:301 |
15 |
1 |
412 |
f |
[B12]D:300 |
x,y,z |
1_555 |
22 |
1 |
1512 |
128.1 |
2.0 |
0.534 |
0 |
0 |
0 |
0.000 |
41 |
|
[5AD]H:301 |
16 |
1 |
414 |
f |
[B12]H:300 |
x,y,z |
1_555 |
20 |
1 |
1521 |
126.9 |
2.0 |
0.504 |
0 |
0 |
0 |
0.000 |
42 |
|
[5AD]C:301 |
16 |
1 |
412 |
cf |
[B12]C:300 |
x,y,z |
1_555 |
22 |
1 |
1530 |
126.5 |
1.8 |
0.490 |
0 |
0 |
0 |
0.000 |
43 |
|
[5AD]B:301 |
16 |
1 |
412 |
f |
[B12]B:300 |
x,y,z |
1_555 |
20 |
1 |
1526 |
126.0 |
1.9 |
0.493 |
0 |
0 |
0 |
0.000 |
44 |
|
[5AD]F:301 |
14 |
1 |
413 |
f |
[B12]F:300 |
x,y,z |
1_555 |
22 |
1 |
1519 |
125.6 |
2.1 |
0.515 |
0 |
0 |
0 |
0.000 |
45 |
|
[5AD]A:301 |
15 |
1 |
413 |
f |
[B12]A:300 |
x,y,z |
1_555 |
20 |
1 |
1537 |
124.0 |
1.9 |
0.486 |
0 |
0 |
0 |
0.000 |
46 |
|
[5AD]E:301 |
15 |
1 |
413 |
f |
[B12]E:300 |
x,y,z |
1_555 |
22 |
1 |
1527 |
123.6 |
1.8 |
0.501 |
0 |
0 |
0 |
0.000 |
Average: |
126.3 |
1.9 |
0.501 |
0 |
0 |
0 |
0.000 |
27 |
47 |
|
H |
14 |
4 |
14465 |
◊ |
D |
x,y,z |
1_555 |
13 |
6 |
14401 |
127.6 |
1.6 |
0.896 |
2 |
2 |
0 |
0.000 |
28 |
48 |
|
E |
13 |
3 |
14657 |
◊ |
C |
x,y,z-1 |
1_554 |
13 |
4 |
11558 |
122.2 |
-0.9 |
0.479 |
0 |
0 |
0 |
0.000 |
29 |
49 |
|
G |
14 |
4 |
13707 |
◊ |
A |
x,y-1,z |
1_545 |
13 |
3 |
11522 |
121.3 |
-1.0 |
0.509 |
0 |
0 |
0 |
0.000 |
30 |
50 |
|
F |
10 |
4 |
13458 |
◊ |
E |
x,y-1,z |
1_545 |
11 |
4 |
14657 |
103.5 |
-0.9 |
0.537 |
0 |
0 |
0 |
0.000 |
31 |
51 |
|
[B12]F:300 |
7 |
1 |
1519 |
◊ |
D |
x,y,z-1 |
1_554 |
11 |
5 |
14401 |
79.6 |
-1.7 |
0.423 |
0 |
0 |
0 |
0.000 |
32 |
52 |
|
H |
14 |
5 |
14465 |
◊ |
[B12]B:300 |
x,y-1,z |
1_545 |
7 |
1 |
1526 |
70.5 |
-0.9 |
0.638 |
0 |
0 |
0 |
0.000 |
33 |
53 |
|
F |
8 |
1 |
13458 |
◊ |
[B12]D:300 |
x,y,z-1 |
1_554 |
8 |
1 |
1512 |
68.5 |
1.1 |
0.852 |
1 |
0 |
0 |
0.000 |
54 |
|
[B12]H:300 |
7 |
1 |
1521 |
◊ |
B |
x,y-1,z |
1_545 |
4 |
1 |
11364 |
59.7 |
0.3 |
0.794 |
0 |
0 |
0 |
0.000 |
Average: |
64.1 |
0.7 |
0.823 |
1 |
0 |
0 |
0.000 |
34 |
55 |
|
[5AD]C:301 |
7 |
1 |
412 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
14401 |
64.2 |
1.2 |
0.462 |
0 |
0 |
0 |
0.000 |
56 |
|
[5AD]E:301 |
7 |
1 |
413 |
◊ |
F |
x,y,z |
1_555 |
8 |
3 |
13458 |
63.2 |
1.2 |
0.488 |
0 |
0 |
0 |
0.000 |
57 |
|
[5AD]A:301 |
7 |
1 |
413 |
◊ |
B |
x,y,z |
1_555 |
8 |
3 |
11364 |
63.1 |
1.3 |
0.505 |
0 |
0 |
0 |
0.000 |
58 |
|
[5AD]B:301 |
7 |
1 |
412 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
11522 |
62.4 |
1.1 |
0.474 |
0 |
0 |
0 |
0.000 |
59 |
|
[5AD]H:301 |
7 |
1 |
414 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
13707 |
60.6 |
1.1 |
0.487 |
0 |
0 |
0 |
0.000 |
Average: |
62.7 |
1.2 |
0.483 |
0 |
0 |
0 |
0.000 |
35 |
60 |
|
[5AD]D:301 |
8 |
1 |
412 |
◊ |
C |
x,y,z |
1_555 |
9 |
3 |
11558 |
63.9 |
1.1 |
0.460 |
0 |
0 |
0 |
0.000 |
36 |
61 |
|
[5AD]G:301 |
7 |
1 |
412 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
14465 |
63.8 |
1.2 |
0.482 |
0 |
0 |
0 |
0.000 |
37 |
62 |
|
[5AD]F:301 |
7 |
1 |
413 |
◊ |
E |
x,y,z |
1_555 |
7 |
2 |
14657 |
61.1 |
1.2 |
0.450 |
0 |
0 |
0 |
0.000 |
38 |
63 |
|
A |
5 |
2 |
11522 |
◊ |
H |
x-1,y,z |
1_455 |
3 |
1 |
14465 |
32.0 |
0.0 |
0.636 |
0 |
0 |
0 |
0.000 |
39 |
64 |
|
[5AD]H:301 |
2 |
1 |
414 |
◊ |
B |
x,y-1,z |
1_545 |
6 |
3 |
11364 |
19.4 |
-0.4 |
0.352 |
0 |
0 |
0 |
0.000 |
65 |
|
F |
3 |
2 |
13458 |
◊ |
[5AD]D:301 |
x,y,z-1 |
1_554 |
2 |
1 |
412 |
12.2 |
-0.5 |
0.222 |
0 |
0 |
0 |
0.000 |
Average: |
15.8 |
-0.4 |
0.287 |
0 |
0 |
0 |
0.000 |
40 |
66 |
|
F |
2 |
1 |
13458 |
◊ |
C |
x,y-1,z-1 |
1_544 |
1 |
1 |
11558 |
16.2 |
0.0 |
0.532 |
0 |
0 |
0 |
0.000 |
41 |
67 |
|
H |
1 |
1 |
14465 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
11522 |
15.9 |
0.4 |
0.850 |
0 |
0 |
0 |
0.000 |
42 |
68 |
|
[B12]B:300 |
3 |
1 |
1526 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
11522 |
15.2 |
0.3 |
0.755 |
0 |
0 |
0 |
0.000 |
69 |
|
[B12]H:300 |
3 |
1 |
1521 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
13707 |
7.5 |
0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
70 |
|
[B12]E:300 |
1 |
1 |
1527 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
13458 |
3.8 |
0.2 |
0.794 |
0 |
0 |
0 |
0.000 |
71 |
|
[B12]D:300 |
1 |
1 |
1512 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
11558 |
3.0 |
0.1 |
0.744 |
0 |
0 |
0 |
0.000 |
Average: |
7.4 |
0.1 |
0.742 |
0 |
0 |
0 |
0.000 |
43 |
72 |
|
G |
2 |
1 |
13707 |
◊ |
[5AD]A:301 |
x,y-1,z |
1_545 |
1 |
1 |
413 |
14.6 |
0.3 |
0.580 |
0 |
0 |
0 |
0.000 |
73 |
|
[5AD]E:301 |
1 |
1 |
413 |
◊ |
C |
x,y,z-1 |
1_554 |
2 |
1 |
11558 |
10.7 |
0.1 |
0.573 |
0 |
0 |
0 |
0.000 |
Average: |
12.7 |
0.2 |
0.576 |
0 |
0 |
0 |
0.000 |
44 |
74 |
|
[B12]A:300 |
2 |
1 |
1537 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
14401 |
13.9 |
-0.1 |
0.605 |
0 |
0 |
0 |
0.000 |
45 |
75 |
|
[5AD]F:301 |
2 |
1 |
413 |
◊ |
D |
x,y,z-1 |
1_554 |
3 |
2 |
14401 |
4.7 |
0.0 |
0.390 |
0 |
0 |
0 |
0.000 |
46 |
76 |
|
[B12]F:300 |
1 |
1 |
1519 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
14657 |
4.6 |
0.1 |
0.763 |
0 |
0 |
0 |
0.000 |
47 |
77 |
|
[B12]E:300 |
1 |
1 |
1527 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
11558 |
0.8 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
78 |
|
G |
1 |
1 |
13707 |
◊ |
[B12]A:300 |
x,y-1,z |
1_545 |
1 |
1 |
1537 |
0.6 |
-0.0 |
0.608 |
0 |
0 |
0 |
0.000 |
Average: |
0.7 |
-0.0 |
0.609 |
0 |
0 |
0 |
0.000 |
48 |
79 |
|
[B12]E:300 |
1 |
1 |
1527 |
◊ |
[B12]C:300 |
x,y,z-1 |
1_554 |
1 |
1 |
1530 |
0.4 |
0.0 |
0.622 |
0 |
0 |
0 |
0.000 |
|