## |
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 |
|
I |
220 |
56 |
15083 |
◊ |
E |
x,y,z |
1_555 |
216 |
55 |
14947 |
2172.0 |
-23.7 |
0.116 |
27 |
10 |
0 |
0.765 |
2 |
|
C |
216 |
52 |
14903 |
◊ |
B |
x,y,z |
1_555 |
214 |
52 |
15004 |
2113.2 |
-23.9 |
0.121 |
21 |
8 |
0 |
0.765 |
3 |
|
J |
212 |
55 |
14998 |
◊ |
A |
x,y,z |
1_555 |
211 |
54 |
14881 |
2088.5 |
-27.9 |
0.031 |
23 |
7 |
0 |
0.765 |
Average: |
2124.6 |
-25.1 |
0.089 |
24 |
8 |
0 |
0.765 |
2 |
4 |
|
H |
202 |
51 |
12600 |
◊ |
D |
x,y,z |
1_555 |
197 |
52 |
14483 |
1950.9 |
-29.6 |
0.097 |
19 |
5 |
0 |
0.700 |
5 |
|
G |
196 |
49 |
12408 |
◊ |
F |
x,y,z |
1_555 |
200 |
51 |
14470 |
1946.7 |
-27.5 |
0.172 |
18 |
4 |
0 |
0.700 |
Average: |
1948.8 |
-28.5 |
0.134 |
19 |
5 |
0 |
0.700 |
3 |
6 |
|
[NDP]H:401 |
48 |
1 |
936 |
f |
H |
x,y,z |
1_555 |
101 |
39 |
12600 |
690.4 |
-4.6 |
0.614 |
16 |
0 |
0 |
0.223 |
7 |
|
[NDP]G:401 |
48 |
1 |
945 |
f |
G |
x,y,z |
1_555 |
99 |
38 |
12408 |
689.1 |
-5.0 |
0.619 |
17 |
0 |
0 |
0.223 |
Average: |
689.7 |
-4.8 |
0.616 |
17 |
0 |
0 |
0.223 |
4 |
8 |
|
[NDP]B:401 |
48 |
1 |
941 |
f |
B |
x,y,z |
1_555 |
98 |
38 |
15004 |
685.7 |
-4.2 |
0.551 |
18 |
0 |
0 |
0.546 |
9 |
|
[NDP]A:401 |
47 |
1 |
935 |
f |
A |
x,y,z |
1_555 |
95 |
36 |
14881 |
684.8 |
-5.2 |
0.473 |
18 |
0 |
0 |
0.546 |
10 |
|
[NDP]E:401 |
48 |
1 |
937 |
f |
E |
x,y,z |
1_555 |
99 |
38 |
14947 |
684.8 |
-5.1 |
0.492 |
17 |
0 |
0 |
0.546 |
11 |
|
[NDP]J:401 |
48 |
1 |
938 |
f |
J |
x,y,z |
1_555 |
98 |
38 |
14998 |
679.9 |
-5.5 |
0.456 |
21 |
0 |
0 |
0.546 |
12 |
|
[NDP]F:401 |
48 |
1 |
940 |
f |
F |
x,y,z |
1_555 |
94 |
35 |
14470 |
675.2 |
-5.1 |
0.598 |
18 |
0 |
0 |
0.546 |
13 |
|
[NDP]D:401 |
48 |
1 |
934 |
f |
D |
x,y,z |
1_555 |
94 |
34 |
14483 |
667.2 |
-4.8 |
0.598 |
13 |
0 |
0 |
0.546 |
14 |
|
[NDP]I:401 |
48 |
1 |
932 |
f |
I |
x,y,z |
1_555 |
95 |
37 |
15083 |
653.0 |
-4.5 |
0.498 |
18 |
0 |
0 |
0.546 |
15 |
|
[NDP]C:401 |
48 |
1 |
935 |
f |
C |
x,y,z |
1_555 |
95 |
37 |
14903 |
648.8 |
-4.5 |
0.533 |
17 |
0 |
0 |
0.546 |
Average: |
672.4 |
-4.9 |
0.525 |
18 |
0 |
0 |
0.546 |
5 |
16 |
|
A |
78 |
20 |
14881 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
75 |
26 |
14903 |
680.6 |
-1.5 |
0.718 |
9 |
5 |
0 |
0.000 |
17 |
|
I |
68 |
26 |
15083 |
◊ |
J |
x-1/2,-y+1/2,-z |
4_455 |
74 |
21 |
14998 |
649.2 |
-3.4 |
0.536 |
8 |
4 |
0 |
0.000 |
Average: |
664.9 |
-2.5 |
0.627 |
9 |
5 |
0 |
0.000 |
6 |
18 |
|
I |
36 |
12 |
15083 |
◊ |
A |
x,y,z |
1_555 |
45 |
14 |
14881 |
360.8 |
-2.0 |
0.469 |
3 |
0 |
0 |
0.000 |
19 |
|
J |
43 |
15 |
14998 |
◊ |
C |
x,y,z |
1_555 |
35 |
12 |
14903 |
358.1 |
-1.9 |
0.483 |
3 |
0 |
0 |
0.000 |
20 |
|
J |
33 |
11 |
14998 |
◊ |
E |
x,y,z |
1_555 |
43 |
13 |
14947 |
350.7 |
-1.9 |
0.431 |
3 |
0 |
0 |
0.000 |
21 |
|
B |
46 |
13 |
15004 |
◊ |
A |
x,y,z |
1_555 |
34 |
11 |
14881 |
347.8 |
-2.0 |
0.439 |
3 |
0 |
0 |
0.000 |
22 |
|
I |
46 |
15 |
15083 |
◊ |
D |
x,y,z |
1_555 |
35 |
12 |
14483 |
345.1 |
-2.3 |
0.524 |
3 |
0 |
0 |
0.000 |
23 |
|
F |
34 |
12 |
14470 |
◊ |
C |
x,y,z |
1_555 |
45 |
14 |
14903 |
337.3 |
-2.0 |
0.573 |
3 |
0 |
0 |
0.000 |
Average: |
350.0 |
-2.0 |
0.486 |
3 |
0 |
0 |
0.000 |
7 |
24 |
|
H |
44 |
14 |
12600 |
◊ |
E |
x,y,z |
1_555 |
35 |
12 |
14947 |
343.7 |
-2.1 |
0.476 |
3 |
0 |
0 |
0.000 |
25 |
|
G |
45 |
14 |
12408 |
◊ |
B |
x,y,z |
1_555 |
35 |
12 |
15004 |
338.7 |
-2.0 |
0.521 |
3 |
0 |
0 |
0.000 |
Average: |
341.2 |
-2.1 |
0.499 |
3 |
0 |
0 |
0.000 |
8 |
26 |
|
H |
28 |
11 |
12600 |
◊ |
I |
x,y,z |
1_555 |
28 |
11 |
15083 |
238.1 |
2.4 |
0.918 |
6 |
0 |
0 |
0.000 |
27 |
|
G |
15 |
7 |
12408 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
14903 |
121.1 |
0.6 |
0.801 |
2 |
0 |
0 |
0.000 |
Average: |
179.6 |
1.5 |
0.860 |
4 |
0 |
0 |
0.000 |
9 |
28 |
|
J |
24 |
10 |
14998 |
◊ |
B |
x,y,z |
1_555 |
27 |
11 |
15004 |
219.8 |
2.0 |
0.869 |
6 |
0 |
0 |
0.000 |
29 |
|
E |
19 |
6 |
14947 |
◊ |
A |
x,y,z |
1_555 |
22 |
11 |
14881 |
163.9 |
1.4 |
0.820 |
3 |
0 |
0 |
0.000 |
Average: |
191.8 |
1.7 |
0.845 |
5 |
0 |
0 |
0.000 |
10 |
30 |
|
[MES]D:402 |
12 |
1 |
340 |
f |
D |
x,y,z |
1_555 |
32 |
13 |
14483 |
214.9 |
5.1 |
0.339 |
0 |
0 |
0 |
0.000 |
11 |
31 |
|
[MES]A:402 |
12 |
1 |
342 |
f |
A |
x,y,z |
1_555 |
30 |
11 |
14881 |
214.0 |
5.2 |
0.298 |
0 |
0 |
0 |
0.000 |
32 |
|
[MES]I:402 |
12 |
1 |
339 |
f |
I |
x,y,z |
1_555 |
31 |
12 |
15083 |
210.8 |
5.0 |
0.294 |
0 |
0 |
0 |
0.000 |
Average: |
212.4 |
5.1 |
0.296 |
0 |
0 |
0 |
0.000 |
12 |
33 |
|
[MES]J:402 |
12 |
1 |
339 |
f |
J |
x,y,z |
1_555 |
32 |
11 |
14998 |
213.9 |
5.1 |
0.336 |
0 |
0 |
0 |
0.000 |
34 |
|
[MES]E:402 |
12 |
1 |
337 |
f |
E |
x,y,z |
1_555 |
32 |
12 |
14947 |
210.5 |
5.0 |
0.312 |
0 |
0 |
0 |
0.000 |
Average: |
212.2 |
5.1 |
0.324 |
0 |
0 |
0 |
0.000 |
13 |
35 |
|
[MES]F:402 |
12 |
1 |
337 |
f |
F |
x,y,z |
1_555 |
32 |
13 |
14470 |
211.4 |
5.1 |
0.352 |
0 |
0 |
0 |
0.000 |
14 |
36 |
|
[MES]B:402 |
12 |
1 |
337 |
f |
B |
x,y,z |
1_555 |
31 |
12 |
15004 |
207.7 |
5.2 |
0.301 |
0 |
0 |
0 |
0.000 |
15 |
37 |
|
D |
21 |
8 |
14483 |
◊ |
F |
x-1,y,z |
1_455 |
15 |
6 |
14470 |
201.6 |
-3.0 |
0.267 |
0 |
0 |
0 |
0.000 |
16 |
38 |
|
[MES]C:402 |
12 |
1 |
338 |
f |
C |
x,y,z |
1_555 |
31 |
12 |
14903 |
198.8 |
4.9 |
0.284 |
0 |
0 |
0 |
0.000 |
17 |
39 |
|
E |
22 |
6 |
14947 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
26 |
10 |
14903 |
193.4 |
-1.5 |
0.496 |
1 |
0 |
0 |
0.000 |
18 |
40 |
|
F |
25 |
8 |
14470 |
◊ |
D |
-x+1,-y,z |
2_655 |
21 |
8 |
14483 |
179.4 |
0.1 |
0.715 |
1 |
1 |
0 |
0.000 |
19 |
41 |
|
I |
19 |
4 |
15083 |
◊ |
B |
x-1/2,-y+1/2,-z+1 |
4_456 |
17 |
5 |
15004 |
135.2 |
-1.6 |
0.429 |
0 |
0 |
0 |
0.000 |
20 |
42 |
|
[MES]A:403 |
10 |
1 |
338 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
14881 |
134.2 |
3.7 |
0.205 |
0 |
0 |
0 |
0.000 |
21 |
43 |
|
C |
15 |
4 |
14903 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
14881 |
126.3 |
-1.0 |
0.498 |
0 |
0 |
0 |
0.000 |
44 |
|
J |
13 |
4 |
14998 |
◊ |
I |
x,y,z |
1_555 |
13 |
4 |
15083 |
107.6 |
-1.1 |
0.452 |
0 |
0 |
0 |
0.000 |
45 |
|
E |
9 |
3 |
14947 |
◊ |
D |
x,y,z |
1_555 |
9 |
3 |
14483 |
74.0 |
-0.7 |
0.523 |
0 |
0 |
0 |
0.000 |
46 |
|
F |
5 |
2 |
14470 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
15004 |
41.1 |
-0.2 |
0.583 |
0 |
0 |
0 |
0.000 |
Average: |
87.3 |
-0.8 |
0.514 |
0 |
0 |
0 |
0.000 |
22 |
47 |
|
H |
14 |
5 |
12600 |
◊ |
B |
-x+1,-y,z-1 |
2_654 |
14 |
4 |
15004 |
119.3 |
-0.3 |
0.602 |
0 |
1 |
0 |
0.000 |
48 |
|
E |
8 |
2 |
14947 |
◊ |
G |
-x+1,-y,z-1 |
2_654 |
8 |
3 |
12408 |
74.2 |
-0.8 |
0.436 |
0 |
0 |
0 |
0.000 |
Average: |
96.8 |
-0.5 |
0.519 |
0 |
1 |
0 |
0.000 |
23 |
49 |
|
[MES]A:403 |
8 |
1 |
338 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
14 |
8 |
14903 |
100.0 |
0.7 |
0.046 |
0 |
0 |
0 |
0.000 |
24 |
50 |
|
J |
9 |
4 |
14998 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
8 |
3 |
14903 |
84.7 |
-0.3 |
0.511 |
0 |
0 |
0 |
0.000 |
51 |
|
I |
10 |
5 |
15083 |
◊ |
A |
x-1/2,-y+1/2,-z+1 |
4_456 |
9 |
4 |
14881 |
70.0 |
-0.4 |
0.564 |
0 |
0 |
0 |
0.000 |
Average: |
77.4 |
-0.3 |
0.538 |
0 |
0 |
0 |
0.000 |
25 |
52 |
|
[NDP]I:401 |
12 |
1 |
932 |
◊ |
J |
x-1/2,-y+1/2,-z |
4_455 |
9 |
2 |
14998 |
80.0 |
0.4 |
0.663 |
2 |
0 |
0 |
0.000 |
53 |
|
A |
9 |
2 |
14881 |
◊ |
[NDP]C:401 |
x-1/2,-y+1/2,-z+1 |
4_456 |
11 |
1 |
935 |
78.2 |
0.3 |
0.605 |
1 |
0 |
0 |
0.000 |
Average: |
79.1 |
0.3 |
0.634 |
2 |
0 |
0 |
0.000 |
26 |
54 |
|
[MES]B:402 |
5 |
1 |
337 |
f |
[NDP]B:401 |
x,y,z |
1_555 |
9 |
1 |
941 |
56.6 |
0.1 |
0.072 |
0 |
0 |
0 |
0.000 |
55 |
|
[MES]A:402 |
5 |
1 |
342 |
f |
[NDP]A:401 |
x,y,z |
1_555 |
8 |
1 |
935 |
52.7 |
0.1 |
0.061 |
0 |
0 |
0 |
0.000 |
56 |
|
[MES]I:402 |
5 |
1 |
339 |
f |
[NDP]I:401 |
x,y,z |
1_555 |
8 |
1 |
932 |
52.0 |
-0.0 |
0.058 |
0 |
0 |
0 |
0.000 |
Average: |
53.8 |
0.0 |
0.064 |
0 |
0 |
0 |
0.000 |
27 |
57 |
|
[MES]E:402 |
5 |
1 |
337 |
f |
[NDP]E:401 |
x,y,z |
1_555 |
8 |
1 |
937 |
53.4 |
0.0 |
0.061 |
0 |
0 |
0 |
0.002 |
58 |
|
[MES]J:402 |
5 |
1 |
339 |
f |
[NDP]J:401 |
x,y,z |
1_555 |
8 |
1 |
938 |
51.4 |
-0.1 |
0.069 |
0 |
0 |
0 |
0.002 |
Average: |
52.4 |
-0.1 |
0.065 |
0 |
0 |
0 |
0.002 |
28 |
59 |
|
[MES]C:402 |
5 |
1 |
338 |
f |
[NDP]C:401 |
x,y,z |
1_555 |
8 |
1 |
935 |
53.4 |
0.0 |
0.063 |
0 |
0 |
0 |
0.000 |
29 |
60 |
|
[MES]F:402 |
5 |
1 |
337 |
f |
[NDP]F:401 |
x,y,z |
1_555 |
9 |
1 |
940 |
52.7 |
0.1 |
0.068 |
0 |
0 |
0 |
0.000 |
30 |
61 |
|
[MES]D:402 |
6 |
1 |
340 |
f |
[NDP]D:401 |
x,y,z |
1_555 |
9 |
1 |
934 |
52.1 |
-0.1 |
0.035 |
0 |
0 |
0 |
0.001 |
31 |
62 |
|
[MES]I:402 |
2 |
1 |
339 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
14947 |
18.9 |
0.7 |
0.398 |
0 |
0 |
0 |
0.000 |
63 |
|
[MES]A:402 |
2 |
1 |
342 |
◊ |
J |
x,y,z |
1_555 |
4 |
2 |
14998 |
18.8 |
0.7 |
0.404 |
0 |
0 |
0 |
0.000 |
Average: |
18.9 |
0.7 |
0.401 |
0 |
0 |
0 |
0.000 |
32 |
64 |
|
[MES]J:402 |
2 |
1 |
339 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
14881 |
18.9 |
0.7 |
0.410 |
0 |
0 |
0 |
0.000 |
65 |
|
[MES]E:402 |
2 |
1 |
337 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
15083 |
16.2 |
0.6 |
0.361 |
0 |
0 |
0 |
0.000 |
Average: |
17.5 |
0.6 |
0.385 |
0 |
0 |
0 |
0.000 |
33 |
66 |
|
[MES]D:402 |
2 |
1 |
340 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
12600 |
18.2 |
0.6 |
0.403 |
0 |
0 |
0 |
0.000 |
34 |
67 |
|
[MES]A:403 |
1 |
1 |
338 |
f |
[NDP]A:401 |
x,y,z |
1_555 |
4 |
1 |
935 |
14.5 |
0.6 |
0.565 |
0 |
0 |
0 |
0.000 |
35 |
68 |
|
[MES]F:402 |
2 |
1 |
337 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
12408 |
13.1 |
0.5 |
0.326 |
0 |
0 |
0 |
0.000 |
36 |
69 |
|
[MES]B:402 |
1 |
1 |
337 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
14903 |
8.9 |
0.4 |
0.430 |
0 |
0 |
0 |
0.000 |
37 |
70 |
|
[MES]C:402 |
1 |
1 |
338 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
15004 |
6.6 |
0.2 |
0.402 |
0 |
0 |
0 |
0.000 |
38 |
71 |
|
F |
1 |
1 |
14470 |
◊ |
F |
-x+2,-y,z |
2_755 |
1 |
1 |
14470 |
2.5 |
-0.1 |
0.412 |
0 |
0 |
0 |
0.000 |
39 |
72 |
|
I |
1 |
1 |
15083 |
◊ |
[NDP]J:401 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
938 |
1.7 |
0.0 |
0.610 |
0 |
0 |
0 |
0.000 |
73 |
|
[NDP]A:401 |
1 |
1 |
935 |
◊ |
C |
x-1/2,-y+1/2,-z+1 |
4_456 |
1 |
1 |
14903 |
0.4 |
0.0 |
0.612 |
0 |
0 |
0 |
0.000 |
Average: |
1.1 |
0.0 |
0.611 |
0 |
0 |
0 |
0.000 |
|