## |
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 |
|
J |
904 |
193 |
43121 |
◊ |
I |
x,y,z |
1_555 |
903 |
193 |
42941 |
8856.8 |
-95.7 |
0.987 |
523 |
0 |
0 |
1.000 |
2 |
2 |
|
T |
455 |
97 |
21865 |
◊ |
S |
x,y,z |
1_555 |
442 |
96 |
21438 |
4378.0 |
-47.5 |
0.943 |
263 |
0 |
0 |
1.000 |
3 |
3 |
|
H |
273 |
65 |
8244 |
◊ |
G |
x,y,z |
1_555 |
258 |
60 |
8332 |
2576.1 |
-40.6 |
0.055 |
24 |
8 |
0 |
1.000 |
4 |
|
N |
254 |
62 |
8222 |
◊ |
M |
x,y,z |
1_555 |
252 |
62 |
8559 |
2498.7 |
-43.9 |
0.028 |
21 |
7 |
0 |
1.000 |
5 |
|
D |
252 |
62 |
8202 |
◊ |
C |
x,y,z |
1_555 |
249 |
61 |
8546 |
2462.0 |
-43.4 |
0.027 |
21 |
6 |
0 |
1.000 |
Average: |
2512.2 |
-42.6 |
0.037 |
22 |
7 |
0 |
1.000 |
4 |
6 |
|
F |
230 |
53 |
7172 |
◊ |
E |
x,y,z |
1_555 |
253 |
60 |
8658 |
2497.5 |
-41.7 |
0.046 |
22 |
4 |
0 |
1.000 |
7 |
|
L |
234 |
52 |
7154 |
◊ |
K |
x,y,z |
1_555 |
260 |
59 |
8601 |
2484.8 |
-41.1 |
0.052 |
23 |
4 |
0 |
1.000 |
8 |
|
B |
234 |
53 |
7169 |
◊ |
A |
x,y,z |
1_555 |
263 |
59 |
8594 |
2469.5 |
-41.1 |
0.054 |
24 |
4 |
0 |
1.000 |
Average: |
2484.0 |
-41.3 |
0.050 |
23 |
4 |
0 |
1.000 |
5 |
9 |
|
I |
90 |
17 |
42941 |
◊ |
E |
x,y,z |
1_555 |
83 |
24 |
8658 |
773.1 |
-11.2 |
0.583 |
16 |
0 |
0 |
0.050 |
6 |
10 |
|
J |
98 |
17 |
43121 |
◊ |
A |
x,y,z |
1_555 |
93 |
25 |
8594 |
745.2 |
-10.2 |
0.664 |
15 |
0 |
0 |
0.102 |
7 |
11 |
|
I |
96 |
17 |
42941 |
◊ |
A |
x,y,z |
1_555 |
77 |
22 |
8594 |
717.8 |
-7.6 |
0.726 |
15 |
0 |
0 |
0.035 |
8 |
12 |
|
J |
88 |
17 |
43121 |
◊ |
E |
x,y,z |
1_555 |
73 |
22 |
8658 |
695.6 |
-11.9 |
0.561 |
15 |
0 |
0 |
1.000 |
9 |
13 |
|
C |
57 |
16 |
8546 |
◊ |
E |
x,y,z |
1_555 |
66 |
20 |
8658 |
668.5 |
-8.4 |
0.272 |
8 |
0 |
0 |
0.246 |
14 |
|
G |
59 |
16 |
8332 |
◊ |
A |
x,y,z |
1_555 |
63 |
20 |
8594 |
666.7 |
-8.3 |
0.254 |
8 |
0 |
0 |
0.246 |
15 |
|
M |
59 |
17 |
8559 |
◊ |
K |
-x,y,-z-1/2 |
3_554 |
61 |
20 |
8601 |
659.8 |
-8.0 |
0.281 |
9 |
0 |
0 |
0.246 |
Average: |
665.0 |
-8.2 |
0.269 |
8 |
0 |
0 |
0.246 |
10 |
16 |
|
E |
62 |
14 |
8658 |
◊ |
A |
x,y,z |
1_555 |
62 |
14 |
8594 |
625.8 |
-9.5 |
0.272 |
3 |
2 |
0 |
0.188 |
17 |
|
K |
60 |
14 |
8601 |
◊ |
K |
-x,y,-z-1/2 |
3_554 |
60 |
14 |
8601 |
592.5 |
-10.1 |
0.228 |
0 |
2 |
0 |
0.188 |
Average: |
609.1 |
-9.8 |
0.250 |
2 |
2 |
0 |
0.188 |
11 |
18 |
|
S |
74 |
13 |
21438 |
◊ |
K |
x,y,z |
1_555 |
62 |
19 |
8601 |
563.3 |
-5.8 |
0.680 |
12 |
0 |
0 |
0.042 |
12 |
19 |
|
T |
69 |
11 |
21865 |
◊ |
K |
x,y,z |
1_555 |
69 |
21 |
8601 |
557.0 |
-10.9 |
0.519 |
13 |
0 |
0 |
0.600 |
13 |
20 |
|
J |
67 |
13 |
43121 |
◊ |
C |
x,y,z |
1_555 |
53 |
18 |
8546 |
529.4 |
-7.1 |
0.610 |
8 |
0 |
0 |
0.030 |
14 |
21 |
|
T |
63 |
13 |
21865 |
◊ |
M |
x,y,z |
1_555 |
52 |
18 |
8559 |
515.8 |
-6.6 |
0.631 |
9 |
0 |
0 |
0.217 |
15 |
22 |
|
H |
56 |
12 |
8244 |
◊ |
F |
x,y,z |
1_555 |
60 |
12 |
7172 |
511.9 |
-0.2 |
0.760 |
6 |
3 |
0 |
0.033 |
23 |
|
D |
53 |
11 |
8202 |
◊ |
B |
x,y,z |
1_555 |
56 |
11 |
7169 |
502.9 |
-1.6 |
0.695 |
5 |
2 |
0 |
0.033 |
24 |
|
N |
52 |
11 |
8222 |
◊ |
L |
x,y,z |
1_555 |
56 |
11 |
7154 |
493.6 |
-1.5 |
0.698 |
6 |
2 |
0 |
0.033 |
Average: |
502.8 |
-1.1 |
0.717 |
6 |
2 |
0 |
0.033 |
16 |
25 |
|
I |
61 |
12 |
42941 |
◊ |
G |
x,y,z |
1_555 |
47 |
16 |
8332 |
462.7 |
-7.6 |
0.538 |
8 |
0 |
0 |
0.156 |
17 |
26 |
|
J |
58 |
9 |
43121 |
◊ |
D |
x,y,z |
1_555 |
42 |
13 |
8202 |
426.7 |
-2.4 |
0.758 |
5 |
0 |
0 |
0.013 |
18 |
27 |
|
J |
52 |
10 |
43121 |
◊ |
Z |
x,y,z |
1_555 |
55 |
17 |
4766 |
416.4 |
-9.1 |
0.294 |
4 |
0 |
0 |
0.003 |
19 |
28 |
|
I |
46 |
9 |
42941 |
◊ |
H |
x,y,z |
1_555 |
50 |
13 |
8244 |
400.6 |
-6.2 |
0.559 |
4 |
0 |
0 |
0.112 |
20 |
29 |
|
I |
49 |
12 |
42941 |
◊ |
D |
x,y,z |
1_555 |
37 |
14 |
8202 |
393.1 |
-4.0 |
0.625 |
11 |
0 |
0 |
0.015 |
21 |
30 |
|
S |
55 |
13 |
21438 |
◊ |
M |
x,y,z |
1_555 |
50 |
14 |
8559 |
387.6 |
-5.2 |
0.609 |
5 |
0 |
0 |
0.025 |
22 |
31 |
|
T |
48 |
7 |
21865 |
◊ |
N |
x,y,z |
1_555 |
41 |
12 |
8222 |
380.3 |
-3.3 |
0.707 |
3 |
0 |
0 |
0.042 |
23 |
32 |
|
G |
42 |
15 |
8332 |
◊ |
B |
x,y,z |
1_555 |
47 |
11 |
7169 |
379.0 |
-4.5 |
0.323 |
5 |
0 |
0 |
0.055 |
33 |
|
C |
40 |
14 |
8546 |
◊ |
F |
x,y,z |
1_555 |
48 |
11 |
7172 |
366.9 |
-4.6 |
0.323 |
5 |
0 |
0 |
0.055 |
34 |
|
M |
38 |
13 |
8559 |
◊ |
L |
-x,y,-z-1/2 |
3_554 |
46 |
10 |
7154 |
358.9 |
-4.3 |
0.338 |
5 |
0 |
0 |
0.055 |
Average: |
368.3 |
-4.5 |
0.328 |
5 |
0 |
0 |
0.055 |
24 |
35 |
|
I |
49 |
13 |
42941 |
◊ |
C |
x,y,z |
1_555 |
48 |
15 |
8546 |
369.3 |
-5.7 |
0.574 |
6 |
0 |
0 |
0.018 |
25 |
36 |
|
J |
42 |
7 |
43121 |
◊ |
B |
x,y,z |
1_555 |
39 |
13 |
7169 |
360.9 |
-7.5 |
0.437 |
7 |
0 |
0 |
0.064 |
26 |
37 |
|
J |
42 |
11 |
43121 |
◊ |
H |
x,y,z |
1_555 |
41 |
14 |
8244 |
360.1 |
-5.6 |
0.514 |
13 |
0 |
0 |
0.032 |
27 |
38 |
|
T |
41 |
7 |
21865 |
◊ |
L |
x,y,z |
1_555 |
40 |
13 |
7154 |
359.4 |
-7.3 |
0.457 |
7 |
0 |
0 |
0.115 |
28 |
39 |
|
I |
42 |
7 |
42941 |
◊ |
F |
x,y,z |
1_555 |
40 |
14 |
7172 |
347.7 |
-7.2 |
0.457 |
6 |
0 |
0 |
0.023 |
29 |
40 |
|
J |
46 |
10 |
43121 |
◊ |
G |
x,y,z |
1_555 |
41 |
10 |
8332 |
345.4 |
-4.1 |
0.630 |
6 |
0 |
0 |
0.019 |
30 |
41 |
|
S |
43 |
10 |
21438 |
◊ |
N |
x,y,z |
1_555 |
35 |
13 |
8222 |
335.7 |
-2.5 |
0.655 |
9 |
0 |
0 |
0.022 |
31 |
42 |
|
I |
45 |
10 |
42941 |
◊ |
Z |
x,y,z |
1_555 |
36 |
15 |
4766 |
317.7 |
2.2 |
0.829 |
3 |
0 |
0 |
0.000 |
32 |
43 |
|
D |
40 |
11 |
8202 |
◊ |
F |
x,y,z |
1_555 |
31 |
8 |
7172 |
275.8 |
-0.3 |
0.698 |
6 |
2 |
0 |
0.019 |
44 |
|
H |
35 |
11 |
8244 |
◊ |
B |
x,y,z |
1_555 |
28 |
7 |
7169 |
267.4 |
-0.0 |
0.727 |
5 |
3 |
0 |
0.019 |
45 |
|
N |
34 |
10 |
8222 |
◊ |
L |
-x,y,-z-1/2 |
3_554 |
28 |
7 |
7154 |
264.9 |
-0.6 |
0.672 |
4 |
1 |
0 |
0.019 |
Average: |
269.4 |
-0.3 |
0.699 |
5 |
2 |
0 |
0.019 |
33 |
46 |
|
N |
34 |
11 |
8222 |
◊ |
N |
-x-1,y,-z-1/2 |
3_454 |
34 |
11 |
8222 |
270.4 |
-0.4 |
0.735 |
0 |
0 |
0 |
0.000 |
47 |
|
D |
28 |
9 |
8202 |
◊ |
H |
x-1,y,z |
1_455 |
31 |
11 |
8244 |
249.2 |
0.3 |
0.790 |
2 |
0 |
0 |
0.000 |
Average: |
259.8 |
-0.1 |
0.763 |
1 |
0 |
0 |
0.000 |
34 |
48 |
|
J |
38 |
10 |
43121 |
◊ |
F |
x,y,z |
1_555 |
23 |
10 |
7172 |
254.4 |
-1.9 |
0.696 |
4 |
0 |
0 |
0.050 |
35 |
49 |
|
S |
38 |
9 |
21438 |
◊ |
L |
x,y,z |
1_555 |
23 |
9 |
7154 |
249.7 |
-1.7 |
0.691 |
3 |
0 |
0 |
0.011 |
36 |
50 |
|
I |
39 |
9 |
42941 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
7169 |
248.1 |
-1.8 |
0.706 |
3 |
0 |
0 |
0.006 |
37 |
51 |
|
C |
23 |
7 |
8546 |
◊ |
H |
x-1,y,z |
1_455 |
26 |
9 |
8244 |
191.4 |
-2.0 |
0.503 |
0 |
0 |
0 |
0.000 |
52 |
|
N |
20 |
7 |
8222 |
◊ |
M |
-x-1,y,-z-1/2 |
3_454 |
23 |
8 |
8559 |
185.1 |
-1.0 |
0.598 |
1 |
0 |
0 |
0.000 |
53 |
|
D |
18 |
8 |
8202 |
◊ |
G |
x-1,y,z |
1_455 |
22 |
8 |
8332 |
152.7 |
-0.6 |
0.634 |
1 |
0 |
0 |
0.000 |
Average: |
176.4 |
-1.2 |
0.578 |
1 |
0 |
0 |
0.000 |
38 |
54 |
|
T |
23 |
4 |
21865 |
◊ |
K |
-x,y,-z-1/2 |
3_554 |
17 |
6 |
8601 |
184.4 |
-2.6 |
0.556 |
2 |
0 |
0 |
0.127 |
39 |
55 |
|
S |
26 |
7 |
21438 |
◊ |
K |
-x,y,-z-1/2 |
3_554 |
21 |
6 |
8601 |
181.7 |
-0.2 |
0.733 |
2 |
0 |
0 |
0.004 |
40 |
56 |
|
M |
16 |
4 |
8559 |
◊ |
M |
-x,y,-z-1/2 |
3_554 |
16 |
4 |
8559 |
142.2 |
-0.0 |
0.671 |
0 |
0 |
0 |
0.001 |
57 |
|
G |
16 |
4 |
8332 |
◊ |
C |
x,y,z |
1_555 |
16 |
4 |
8546 |
135.2 |
-0.1 |
0.661 |
1 |
0 |
0 |
0.001 |
Average: |
138.7 |
-0.0 |
0.666 |
1 |
0 |
0 |
0.001 |
41 |
58 |
|
T |
16 |
2 |
21865 |
◊ |
S |
-x,y,-z-1/2 |
3_554 |
15 |
2 |
21438 |
125.3 |
1.4 |
0.779 |
1 |
0 |
0 |
0.000 |
42 |
59 |
|
S |
17 |
2 |
21438 |
◊ |
I |
x-1/2,y+1/2,z |
5_455 |
17 |
2 |
42941 |
114.2 |
3.0 |
0.859 |
0 |
0 |
0 |
0.000 |
43 |
60 |
|
T |
17 |
2 |
21865 |
◊ |
J |
x-1/2,y+1/2,z |
5_455 |
16 |
2 |
43121 |
108.6 |
2.9 |
0.863 |
0 |
0 |
0 |
0.000 |
44 |
61 |
|
J |
10 |
1 |
43121 |
◊ |
I |
-x,y,-z-1/2 |
3_554 |
13 |
2 |
42941 |
84.4 |
0.3 |
0.693 |
0 |
0 |
0 |
0.000 |
45 |
62 |
|
J |
12 |
1 |
43121 |
◊ |
J |
-x,y,-z-1/2 |
3_554 |
12 |
1 |
43121 |
78.7 |
3.8 |
0.902 |
0 |
0 |
0 |
0.000 |
46 |
63 |
|
I |
10 |
3 |
42941 |
◊ |
F |
x-1,y,z |
1_455 |
6 |
3 |
7172 |
75.4 |
-1.4 |
0.534 |
2 |
0 |
0 |
0.000 |
47 |
64 |
|
T |
9 |
2 |
21865 |
◊ |
T |
-x,y,-z-1/2 |
3_554 |
9 |
2 |
21865 |
69.3 |
-4.8 |
0.262 |
0 |
0 |
0 |
0.086 |
48 |
65 |
|
C |
7 |
5 |
8546 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
8594 |
69.0 |
1.7 |
0.852 |
1 |
0 |
0 |
0.000 |
66 |
|
M |
6 |
4 |
8559 |
◊ |
K |
x,y,z |
1_555 |
8 |
4 |
8601 |
65.5 |
1.8 |
0.873 |
1 |
0 |
0 |
0.000 |
67 |
|
G |
6 |
4 |
8332 |
◊ |
E |
x,y,z |
1_555 |
10 |
5 |
8658 |
53.8 |
1.3 |
0.825 |
1 |
0 |
0 |
0.000 |
Average: |
62.8 |
1.6 |
0.850 |
1 |
0 |
0 |
0.000 |
49 |
68 |
|
N |
6 |
2 |
8222 |
◊ |
M |
-x,y,-z-1/2 |
3_554 |
9 |
3 |
8559 |
68.6 |
-0.1 |
0.609 |
1 |
0 |
0 |
0.005 |
69 |
|
H |
5 |
2 |
8244 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
8546 |
67.8 |
-0.1 |
0.608 |
1 |
0 |
0 |
0.005 |
70 |
|
D |
4 |
2 |
8202 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
8332 |
66.3 |
-0.3 |
0.545 |
0 |
0 |
0 |
0.005 |
Average: |
67.6 |
-0.1 |
0.587 |
1 |
0 |
0 |
0.005 |
50 |
71 |
|
S |
9 |
3 |
21438 |
◊ |
L |
-x-1,y,-z-1/2 |
3_454 |
6 |
3 |
7154 |
68.5 |
-1.9 |
0.449 |
1 |
0 |
0 |
0.000 |
51 |
72 |
|
B |
5 |
2 |
7169 |
◊ |
J |
x-1,y,z |
1_455 |
6 |
2 |
43121 |
50.3 |
-0.9 |
0.425 |
1 |
0 |
0 |
0.000 |
52 |
73 |
|
S |
10 |
2 |
21438 |
◊ |
N |
-x,y,-z-1/2 |
3_554 |
5 |
2 |
8222 |
49.7 |
0.1 |
0.675 |
1 |
0 |
0 |
0.001 |
53 |
74 |
|
T |
5 |
1 |
21865 |
◊ |
N |
-x,y,-z-1/2 |
3_554 |
3 |
1 |
8222 |
43.9 |
-1.3 |
0.451 |
1 |
0 |
0 |
0.016 |
54 |
75 |
|
T |
4 |
1 |
21865 |
◊ |
I |
x-1/2,y+1/2,z |
5_455 |
4 |
1 |
42941 |
25.9 |
1.1 |
0.712 |
0 |
0 |
0 |
0.000 |
55 |
76 |
|
S |
3 |
1 |
21438 |
◊ |
J |
x-1/2,y+1/2,z |
5_455 |
3 |
1 |
43121 |
16.0 |
-0.5 |
0.418 |
0 |
0 |
0 |
0.000 |
56 |
77 |
|
B |
1 |
1 |
7169 |
◊ |
I |
x-1,y,z |
1_455 |
1 |
1 |
42941 |
9.8 |
-0.4 |
0.379 |
0 |
0 |
0 |
0.000 |
57 |
78 |
|
M |
1 |
1 |
8559 |
◊ |
L |
x,y,z |
1_555 |
3 |
1 |
7154 |
9.7 |
0.5 |
0.822 |
0 |
0 |
0 |
0.000 |
79 |
|
C |
1 |
1 |
8546 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7169 |
8.1 |
0.4 |
0.810 |
0 |
0 |
0 |
0.000 |
Average: |
8.9 |
0.4 |
0.816 |
0 |
0 |
0 |
0.000 |
58 |
80 |
|
S |
1 |
1 |
21438 |
◊ |
I |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
42941 |
7.2 |
-0.8 |
0.177 |
0 |
0 |
0 |
0.000 |
59 |
81 |
|
T |
1 |
1 |
21865 |
◊ |
L |
-x-1,y,-z-1/2 |
3_454 |
1 |
1 |
7154 |
4.2 |
-0.2 |
0.375 |
0 |
0 |
0 |
0.000 |
60 |
82 |
|
T |
1 |
1 |
21865 |
◊ |
I |
x-1,y,z |
1_455 |
1 |
1 |
42941 |
4.0 |
-0.4 |
0.183 |
0 |
0 |
0 |
0.000 |
61 |
83 |
|
D |
1 |
1 |
8202 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
8658 |
1.8 |
0.1 |
0.774 |
0 |
0 |
0 |
0.000 |
62 |
84 |
|
H |
1 |
1 |
8244 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
8202 |
0.3 |
-0.0 |
0.693 |
0 |
0 |
0 |
0.000 |
|