| ## |
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 |
|
C |
220 |
66 |
18216 |
◊ |
B |
x,y,z |
1_555 |
235 |
72 |
18360 |
2264.2 |
-24.4 |
0.614 |
26 |
5 |
0 |
0.905 |
2 |
|
D |
220 |
67 |
18353 |
◊ |
C |
x,y,z |
1_555 |
236 |
71 |
18216 |
2242.7 |
-23.5 |
0.655 |
28 |
4 |
0 |
0.905 |
3 |
|
E |
236 |
72 |
18363 |
◊ |
A |
x,y,z |
1_555 |
218 |
66 |
18338 |
2231.1 |
-24.0 |
0.631 |
28 |
4 |
0 |
0.905 |
4 |
|
E |
213 |
65 |
18363 |
◊ |
D |
x,y,z |
1_555 |
234 |
71 |
18353 |
2221.2 |
-23.8 |
0.625 |
26 |
4 |
0 |
0.905 |
5 |
|
B |
220 |
67 |
18360 |
◊ |
A |
x,y,z |
1_555 |
241 |
72 |
18338 |
2220.1 |
-23.8 |
0.651 |
27 |
4 |
0 |
0.905 |
| Average: |
2235.9 |
-23.9 |
0.635 |
27 |
4 |
0 |
0.905 |
| 2 |
6 |
|
M |
215 |
58 |
11330 |
◊ |
J |
x,y,z |
1_555 |
201 |
54 |
11578 |
1857.3 |
-24.6 |
0.134 |
10 |
2 |
0 |
1.000 |
7 |
|
O |
207 |
57 |
10966 |
◊ |
I |
x,y,z |
1_555 |
198 |
53 |
11747 |
1830.6 |
-22.7 |
0.205 |
12 |
2 |
0 |
1.000 |
8 |
|
L |
211 |
56 |
11330 |
◊ |
H |
x,y,z |
1_555 |
202 |
53 |
11794 |
1809.2 |
-23.2 |
0.148 |
14 |
2 |
0 |
1.000 |
9 |
|
K |
212 |
58 |
11303 |
◊ |
G |
x,y,z |
1_555 |
193 |
50 |
10898 |
1781.8 |
-24.0 |
0.179 |
10 |
0 |
0 |
1.000 |
| Average: |
1819.7 |
-23.6 |
0.167 |
12 |
2 |
0 |
1.000 |
| 3 |
10 |
|
N |
178 |
48 |
10534 |
◊ |
F |
x,y,z |
1_555 |
161 |
41 |
10937 |
1484.8 |
-20.1 |
0.243 |
7 |
0 |
0 |
1.000 |
| 4 |
11 |
|
J |
45 |
14 |
11578 |
◊ |
E |
x,y,z |
1_555 |
42 |
14 |
18363 |
430.7 |
-1.3 |
0.743 |
6 |
3 |
0 |
0.000 |
12 |
|
I |
47 |
15 |
11747 |
◊ |
D |
x,y,z |
1_555 |
39 |
14 |
18353 |
423.4 |
-1.1 |
0.752 |
6 |
3 |
0 |
0.000 |
| Average: |
427.1 |
-1.2 |
0.748 |
6 |
3 |
0 |
0.000 |
| 5 |
13 |
|
H |
46 |
15 |
11794 |
◊ |
A |
x,y,z |
1_555 |
39 |
14 |
18338 |
429.1 |
-1.2 |
0.750 |
6 |
3 |
0 |
0.000 |
14 |
|
G |
45 |
14 |
10898 |
◊ |
C |
x,y,z |
1_555 |
39 |
14 |
18216 |
427.6 |
-1.3 |
0.745 |
6 |
3 |
0 |
0.000 |
15 |
|
F |
47 |
15 |
10937 |
◊ |
B |
x,y,z |
1_555 |
39 |
14 |
18360 |
422.1 |
-1.1 |
0.738 |
6 |
3 |
0 |
0.000 |
| Average: |
426.3 |
-1.2 |
0.744 |
6 |
3 |
0 |
0.000 |
| 6 |
16 |
|
M |
39 |
12 |
11330 |
◊ |
E |
x,y,z |
1_555 |
35 |
11 |
18363 |
359.7 |
-6.6 |
0.209 |
2 |
0 |
0 |
0.000 |
17 |
|
K |
35 |
10 |
11303 |
◊ |
C |
x,y,z |
1_555 |
34 |
11 |
18216 |
355.5 |
-6.8 |
0.179 |
3 |
0 |
0 |
0.000 |
18 |
|
L |
36 |
10 |
11330 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
18338 |
354.1 |
-6.8 |
0.164 |
1 |
0 |
0 |
0.000 |
| Average: |
356.4 |
-6.8 |
0.184 |
2 |
0 |
0 |
0.000 |
| 7 |
19 |
|
O |
36 |
10 |
10966 |
◊ |
D |
x,y,z |
1_555 |
34 |
11 |
18353 |
357.3 |
-6.9 |
0.178 |
2 |
0 |
0 |
0.000 |
| 8 |
20 |
|
H |
39 |
11 |
11794 |
◊ |
B |
y-1,x,-z |
7_455 |
36 |
10 |
18360 |
350.6 |
-4.8 |
0.280 |
5 |
0 |
0 |
0.003 |
| 9 |
21 |
|
[IVM]B:349 |
33 |
1 |
1075 |
f |
B |
x,y,z |
1_555 |
51 |
15 |
18360 |
349.1 |
-4.6 |
0.299 |
3 |
0 |
0 |
0.365 |
22 |
|
[IVM]B:348 |
33 |
1 |
1080 |
f |
A |
x,y,z |
1_555 |
49 |
15 |
18338 |
348.8 |
-4.6 |
0.299 |
3 |
0 |
0 |
0.365 |
23 |
|
[IVM]A:348 |
33 |
1 |
1076 |
f |
E |
x,y,z |
1_555 |
50 |
15 |
18363 |
347.4 |
-4.6 |
0.298 |
3 |
0 |
0 |
0.365 |
24 |
|
[IVM]D:349 |
33 |
1 |
1076 |
f |
D |
x,y,z |
1_555 |
51 |
15 |
18353 |
345.7 |
-4.6 |
0.312 |
3 |
0 |
0 |
0.365 |
25 |
|
[IVM]D:348 |
33 |
1 |
1079 |
f |
C |
x,y,z |
1_555 |
51 |
15 |
18216 |
345.2 |
-4.5 |
0.314 |
3 |
0 |
0 |
0.365 |
| Average: |
347.3 |
-4.6 |
0.304 |
3 |
0 |
0 |
0.365 |
| 10 |
26 |
|
N |
33 |
9 |
10534 |
◊ |
B |
x,y,z |
1_555 |
34 |
11 |
18360 |
348.6 |
-6.7 |
0.236 |
2 |
0 |
0 |
0.000 |
| 11 |
27 |
|
J |
43 |
16 |
11578 |
◊ |
F |
x-1,y,z |
1_455 |
40 |
16 |
10937 |
333.5 |
-0.6 |
0.665 |
3 |
0 |
0 |
0.000 |
| 12 |
28 |
|
[IVM]B:349 |
39 |
1 |
1075 |
◊ |
C |
x,y,z |
1_555 |
31 |
9 |
18216 |
322.3 |
-2.1 |
0.243 |
0 |
0 |
0 |
0.053 |
29 |
|
[IVM]B:348 |
39 |
1 |
1080 |
◊ |
B |
x,y,z |
1_555 |
29 |
9 |
18360 |
321.6 |
-2.3 |
0.217 |
0 |
0 |
0 |
0.053 |
30 |
|
[IVM]D:349 |
39 |
1 |
1076 |
◊ |
E |
x,y,z |
1_555 |
30 |
9 |
18363 |
320.3 |
-2.1 |
0.240 |
0 |
0 |
0 |
0.053 |
31 |
|
[IVM]D:348 |
38 |
1 |
1079 |
◊ |
D |
x,y,z |
1_555 |
29 |
9 |
18353 |
318.4 |
-2.2 |
0.225 |
0 |
0 |
0 |
0.053 |
32 |
|
[IVM]A:348 |
38 |
1 |
1076 |
◊ |
A |
x,y,z |
1_555 |
30 |
9 |
18338 |
316.8 |
-2.0 |
0.245 |
0 |
0 |
0 |
0.053 |
| Average: |
319.9 |
-2.1 |
0.234 |
0 |
0 |
0 |
0.053 |
| 13 |
33 |
|
[LMT]A:350 |
18 |
1 |
570 |
f |
A |
x,y,z |
1_555 |
31 |
10 |
18338 |
224.6 |
-2.3 |
0.454 |
0 |
0 |
0 |
0.015 |
| 14 |
34 |
|
M |
23 |
8 |
11330 |
◊ |
B |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
29 |
10 |
18360 |
218.7 |
0.3 |
0.791 |
1 |
0 |
0 |
0.000 |
| 15 |
35 |
|
[LMT]A:349 |
18 |
1 |
552 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
18338 |
208.4 |
-1.8 |
0.481 |
7 |
0 |
0 |
0.031 |
| 16 |
36 |
|
L |
26 |
7 |
11330 |
◊ |
A |
y-1,x,-z |
7_455 |
17 |
4 |
18338 |
186.1 |
-1.0 |
0.455 |
1 |
0 |
0 |
0.000 |
| 17 |
37 |
|
[OCT]B:351 |
8 |
1 |
324 |
f |
B |
x,y,z |
1_555 |
28 |
9 |
18360 |
168.7 |
4.8 |
0.620 |
0 |
0 |
0 |
0.000 |
| 18 |
38 |
|
H |
19 |
5 |
11794 |
◊ |
O |
-y+1/2,x+1/2,z-1/4 |
3_554 |
18 |
5 |
10966 |
162.2 |
-0.8 |
0.475 |
3 |
0 |
0 |
0.000 |
| 19 |
39 |
|
M |
14 |
6 |
11330 |
◊ |
C |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
25 |
10 |
18216 |
159.5 |
-0.4 |
0.704 |
1 |
0 |
0 |
0.000 |
| 20 |
40 |
|
M |
21 |
8 |
11330 |
◊ |
D |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
20 |
10 |
18353 |
157.2 |
0.3 |
0.789 |
1 |
0 |
0 |
0.000 |
| 21 |
41 |
|
L |
20 |
7 |
11330 |
◊ |
I |
-y+1/2,x+1/2,z-1/4 |
3_554 |
14 |
7 |
11747 |
151.2 |
-0.5 |
0.602 |
1 |
0 |
0 |
0.000 |
| 22 |
42 |
|
[UND]B:352 |
11 |
1 |
408 |
f |
B |
x,y,z |
1_555 |
23 |
7 |
18360 |
146.3 |
2.8 |
0.128 |
0 |
0 |
0 |
0.000 |
| 23 |
43 |
|
L |
15 |
5 |
11330 |
◊ |
K |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
17 |
7 |
11303 |
145.5 |
0.5 |
0.676 |
2 |
0 |
0 |
0.000 |
| 24 |
44 |
|
[OCT]D:350 |
8 |
1 |
324 |
f |
D |
x,y,z |
1_555 |
25 |
8 |
18353 |
143.9 |
3.6 |
0.620 |
0 |
0 |
0 |
0.000 |
| 25 |
45 |
|
M |
16 |
4 |
11330 |
◊ |
E |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
19 |
8 |
18363 |
143.3 |
-0.2 |
0.757 |
0 |
3 |
0 |
0.000 |
| 26 |
46 |
|
[NAG]C:400 |
13 |
1 |
363 |
cf |
C |
x,y,z |
1_555 |
20 |
7 |
18216 |
142.8 |
5.1 |
0.572 |
2 |
0 |
0 |
0.000 |
| 27 |
47 |
|
G |
18 |
4 |
10898 |
◊ |
D |
x,y,z |
1_555 |
16 |
6 |
18353 |
136.6 |
-0.7 |
0.668 |
1 |
0 |
0 |
0.000 |
48 |
|
H |
17 |
4 |
11794 |
◊ |
B |
x,y,z |
1_555 |
16 |
6 |
18360 |
130.9 |
-0.5 |
0.682 |
1 |
0 |
0 |
0.000 |
49 |
|
F |
18 |
4 |
10937 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
18216 |
113.8 |
-0.4 |
0.652 |
1 |
0 |
0 |
0.000 |
| Average: |
127.1 |
-0.5 |
0.667 |
1 |
0 |
0 |
0.000 |
| 28 |
50 |
|
[NAG]B:400 |
10 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
17 |
7 |
18360 |
135.8 |
4.6 |
0.604 |
3 |
0 |
0 |
0.000 |
| 29 |
51 |
|
[NAG]E:400 |
9 |
1 |
358 |
cf |
E |
x,y,z |
1_555 |
19 |
7 |
18363 |
131.8 |
4.8 |
0.693 |
2 |
0 |
0 |
0.000 |
| 30 |
52 |
|
J |
10 |
5 |
11578 |
◊ |
K |
x-1,y,z |
1_455 |
13 |
5 |
11303 |
131.6 |
-2.1 |
0.246 |
2 |
0 |
0 |
0.000 |
| 31 |
53 |
|
[LMT]B:350 |
16 |
1 |
554 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
18360 |
130.6 |
-1.2 |
0.510 |
0 |
0 |
0 |
0.006 |
| 32 |
54 |
|
L |
16 |
4 |
11330 |
◊ |
G |
-y+1/2,x-1/2,z-1/4 |
3_544 |
16 |
5 |
10898 |
129.4 |
-0.0 |
0.686 |
1 |
0 |
0 |
0.000 |
| 33 |
55 |
|
J |
16 |
5 |
11578 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
18338 |
127.1 |
-0.3 |
0.703 |
1 |
0 |
0 |
0.000 |
56 |
|
I |
17 |
4 |
11747 |
◊ |
E |
x,y,z |
1_555 |
14 |
6 |
18363 |
117.9 |
-0.3 |
0.701 |
1 |
0 |
0 |
0.000 |
| Average: |
122.5 |
-0.3 |
0.702 |
1 |
0 |
0 |
0.000 |
| 34 |
57 |
|
[OCT]E:348 |
7 |
1 |
323 |
f |
E |
x,y,z |
1_555 |
22 |
7 |
18363 |
125.7 |
3.4 |
0.662 |
0 |
0 |
0 |
0.000 |
| 35 |
58 |
|
[LMT]B:350 |
12 |
1 |
554 |
f |
[LMT]A:349 |
x,y,z |
1_555 |
15 |
1 |
552 |
122.1 |
-1.9 |
0.393 |
0 |
0 |
0 |
0.012 |
| 36 |
59 |
|
B |
15 |
5 |
18360 |
◊ |
K |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
14 |
7 |
11303 |
113.8 |
0.5 |
0.820 |
1 |
0 |
0 |
0.000 |
| 37 |
60 |
|
H |
11 |
4 |
11794 |
◊ |
A |
y-1,x,-z |
7_455 |
11 |
5 |
18338 |
103.9 |
-0.9 |
0.509 |
0 |
0 |
0 |
0.000 |
| 38 |
61 |
|
H |
10 |
3 |
11794 |
◊ |
I |
-y+1/2,x+1/2,z-1/4 |
3_554 |
13 |
6 |
11747 |
99.1 |
-1.2 |
0.409 |
0 |
0 |
0 |
0.000 |
| 39 |
62 |
|
L |
9 |
4 |
11330 |
◊ |
[LMT]A:349 |
y-1,x,-z |
7_455 |
8 |
1 |
552 |
82.2 |
-2.0 |
0.416 |
1 |
0 |
0 |
0.001 |
| 40 |
63 |
|
D |
9 |
3 |
18353 |
◊ |
K |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
8 |
3 |
11303 |
80.0 |
-0.9 |
0.492 |
0 |
0 |
0 |
0.000 |
| 41 |
64 |
|
H |
11 |
2 |
11794 |
◊ |
K |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
8 |
2 |
11303 |
72.0 |
-0.7 |
0.507 |
0 |
0 |
0 |
0.000 |
| 42 |
65 |
|
H |
9 |
5 |
11794 |
◊ |
G |
-y+1/2,x-1/2,z-1/4 |
3_544 |
5 |
2 |
10898 |
68.1 |
-1.5 |
0.252 |
0 |
0 |
0 |
0.000 |
| 43 |
66 |
|
[UND]B:352 |
7 |
1 |
408 |
◊ |
[LMT]B:350 |
x,y,z |
1_555 |
7 |
1 |
554 |
64.8 |
3.4 |
0.168 |
0 |
0 |
0 |
0.000 |
| 44 |
67 |
|
D |
7 |
3 |
18353 |
◊ |
G |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
7 |
2 |
10898 |
55.9 |
-0.3 |
0.605 |
0 |
0 |
0 |
0.000 |
| 45 |
68 |
|
M |
6 |
3 |
11330 |
◊ |
K |
x-1,y,z |
1_455 |
8 |
4 |
11303 |
51.5 |
0.3 |
0.673 |
0 |
0 |
0 |
0.000 |
| 46 |
69 |
|
H |
9 |
4 |
11794 |
◊ |
C |
y-1,x,-z |
7_455 |
6 |
3 |
18216 |
51.4 |
-0.7 |
0.500 |
0 |
0 |
0 |
0.000 |
| 47 |
70 |
|
L |
5 |
1 |
11330 |
◊ |
L |
y,x,-z |
7_555 |
5 |
1 |
11330 |
49.2 |
1.4 |
0.914 |
0 |
0 |
0 |
0.000 |
| 48 |
71 |
|
O |
6 |
1 |
10966 |
◊ |
N |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
4 |
2 |
10534 |
49.2 |
0.7 |
0.842 |
1 |
0 |
0 |
0.000 |
| 49 |
72 |
|
[OCT]E:348 |
5 |
1 |
323 |
f |
[IVM]A:348 |
x,y,z |
1_555 |
7 |
1 |
1076 |
48.9 |
1.0 |
0.571 |
0 |
0 |
0 |
0.000 |
| 50 |
73 |
|
J |
5 |
1 |
11578 |
◊ |
A |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
8 |
4 |
18338 |
37.1 |
-0.4 |
0.606 |
0 |
0 |
0 |
0.000 |
| 51 |
74 |
|
E |
4 |
2 |
18363 |
◊ |
F |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
7 |
3 |
10937 |
35.6 |
1.2 |
0.811 |
1 |
1 |
0 |
0.000 |
| 52 |
75 |
|
[OCT]D:350 |
3 |
1 |
324 |
f |
[IVM]D:349 |
x,y,z |
1_555 |
4 |
1 |
1076 |
35.2 |
0.7 |
0.577 |
0 |
0 |
0 |
0.000 |
| 53 |
76 |
|
L |
6 |
3 |
11330 |
◊ |
B |
y-1,x,-z |
7_455 |
4 |
3 |
18360 |
33.7 |
-0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
| 54 |
77 |
|
[LMT]B:350 |
8 |
1 |
554 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
18338 |
29.0 |
-0.8 |
0.404 |
0 |
0 |
0 |
0.005 |
| 55 |
78 |
|
[LMT]A:350 |
3 |
1 |
570 |
◊ |
[IVM]A:348 |
x,y,z |
1_555 |
4 |
1 |
1076 |
28.7 |
0.5 |
0.574 |
0 |
0 |
0 |
0.000 |
| 56 |
79 |
|
E |
2 |
2 |
18363 |
◊ |
G |
x-1/2,-y+3/2,-z+1/4 |
6_465 |
5 |
3 |
10898 |
22.1 |
-0.3 |
0.511 |
0 |
0 |
0 |
0.000 |
| 57 |
80 |
|
[OCT]B:351 |
2 |
1 |
324 |
f |
[IVM]B:349 |
x,y,z |
1_555 |
2 |
1 |
1075 |
19.4 |
0.3 |
0.541 |
0 |
0 |
0 |
0.000 |
| 58 |
81 |
|
[LMT]A:349 |
1 |
1 |
552 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
18360 |
17.5 |
0.3 |
0.518 |
0 |
0 |
0 |
0.000 |
| 59 |
82 |
|
[CL]C:348 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
18216 |
12.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.014 |
83 |
|
[CL]C:348 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
18353 |
11.8 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.014 |
84 |
|
[CL]C:348 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
18360 |
5.9 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.014 |
| Average: |
10.1 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.014 |
| 60 |
85 |
|
J |
1 |
1 |
11578 |
◊ |
D |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
1 |
1 |
18353 |
10.7 |
-0.0 |
0.439 |
0 |
0 |
0 |
0.000 |
| 61 |
86 |
|
M |
2 |
1 |
11330 |
◊ |
A |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
2 |
2 |
18338 |
5.4 |
-0.2 |
0.510 |
0 |
0 |
0 |
0.000 |
| 62 |
87 |
|
J |
2 |
1 |
11578 |
◊ |
E |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
2 |
1 |
18363 |
4.9 |
0.2 |
0.725 |
0 |
0 |
0 |
0.000 |
| 63 |
88 |
|
D |
1 |
1 |
18353 |
◊ |
N |
x-1/2,-y+1/2,-z+1/4 |
6_455 |
3 |
1 |
10534 |
4.7 |
-0.0 |
0.693 |
0 |
0 |
0 |
0.000 |
|