## |
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 |
|
K |
84 |
24 |
8100 |
◊ |
E |
x,y,z |
1_555 |
123 |
38 |
9131 |
959.5 |
-9.2 |
0.146 |
14 |
4 |
0 |
1.000 |
2 |
|
H |
87 |
25 |
8093 |
◊ |
B |
x,y,z |
1_555 |
121 |
38 |
9062 |
957.3 |
-10.1 |
0.112 |
12 |
4 |
0 |
1.000 |
3 |
|
J |
84 |
24 |
8115 |
◊ |
D |
x,y,z |
1_555 |
123 |
37 |
9076 |
954.0 |
-9.5 |
0.131 |
15 |
4 |
0 |
1.000 |
4 |
|
L |
85 |
23 |
8019 |
◊ |
F |
x,y,z |
1_555 |
122 |
37 |
9065 |
953.4 |
-9.3 |
0.142 |
15 |
4 |
0 |
1.000 |
5 |
|
G |
84 |
23 |
8075 |
◊ |
A |
x,y,z |
1_555 |
125 |
38 |
9054 |
942.5 |
-9.2 |
0.155 |
14 |
4 |
0 |
1.000 |
6 |
|
I |
84 |
23 |
8055 |
◊ |
C |
x,y,z |
1_555 |
124 |
39 |
9069 |
932.2 |
-8.9 |
0.158 |
15 |
4 |
0 |
1.000 |
Average: |
949.8 |
-9.4 |
0.141 |
14 |
4 |
0 |
1.000 |
2 |
7 |
|
L |
64 |
20 |
8019 |
◊ |
G |
-x+1,-y+1,z |
4_665 |
64 |
20 |
8075 |
667.8 |
-3.4 |
0.295 |
6 |
0 |
0 |
0.008 |
8 |
|
I |
64 |
20 |
8055 |
◊ |
I |
-x+1,-y,z |
4_655 |
64 |
20 |
8055 |
666.4 |
-3.6 |
0.285 |
4 |
0 |
0 |
0.008 |
9 |
|
K |
69 |
20 |
8100 |
◊ |
J |
x,y,z |
1_555 |
67 |
20 |
8115 |
665.3 |
-4.1 |
0.255 |
8 |
0 |
0 |
0.008 |
10 |
|
H |
64 |
20 |
8093 |
◊ |
H |
-x+2,-y+1,z |
4_765 |
63 |
20 |
8093 |
659.2 |
-3.7 |
0.270 |
4 |
0 |
0 |
0.008 |
Average: |
664.7 |
-3.7 |
0.276 |
6 |
0 |
0 |
0.008 |
3 |
11 |
|
F |
55 |
17 |
9065 |
◊ |
E |
-y,x-y,z+1/3 |
2_555 |
57 |
17 |
9131 |
574.6 |
-6.9 |
0.139 |
6 |
0 |
0 |
0.000 |
12 |
|
C |
60 |
17 |
9069 |
◊ |
D |
-y+1,x-y,z+1/3 |
2_655 |
62 |
18 |
9076 |
570.0 |
-6.9 |
0.158 |
3 |
0 |
0 |
0.000 |
13 |
|
A |
61 |
17 |
9054 |
◊ |
B |
-y+1,x-y,z+1/3 |
2_655 |
58 |
17 |
9062 |
549.2 |
-6.0 |
0.213 |
4 |
0 |
0 |
0.000 |
Average: |
564.6 |
-6.6 |
0.170 |
4 |
0 |
0 |
0.000 |
4 |
14 |
|
C |
60 |
20 |
9069 |
◊ |
B |
x,y,z |
1_555 |
59 |
20 |
9062 |
511.2 |
-3.0 |
0.464 |
8 |
0 |
0 |
0.000 |
15 |
|
D |
58 |
20 |
9076 |
◊ |
A |
x,y,z |
1_555 |
57 |
21 |
9054 |
510.5 |
-2.9 |
0.468 |
8 |
0 |
0 |
0.000 |
16 |
|
F |
59 |
18 |
9065 |
◊ |
E |
-x,-y,z |
4_555 |
59 |
18 |
9131 |
503.2 |
-3.3 |
0.430 |
7 |
0 |
0 |
0.000 |
Average: |
508.3 |
-3.0 |
0.454 |
8 |
0 |
0 |
0.000 |
5 |
17 |
|
F |
49 |
15 |
9065 |
◊ |
E |
x-y,x,z-1/3 |
6_554 |
49 |
17 |
9131 |
466.2 |
-1.8 |
0.526 |
5 |
0 |
0 |
0.060 |
18 |
|
D |
54 |
17 |
9076 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
52 |
18 |
9054 |
446.8 |
-2.2 |
0.510 |
3 |
0 |
0 |
0.060 |
19 |
|
B |
52 |
17 |
9062 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
49 |
16 |
9069 |
435.2 |
-2.3 |
0.487 |
5 |
0 |
0 |
0.060 |
Average: |
449.4 |
-2.1 |
0.508 |
4 |
0 |
0 |
0.060 |
6 |
20 |
|
J |
46 |
12 |
8115 |
◊ |
I |
x,y,z |
1_555 |
44 |
12 |
8055 |
384.9 |
1.7 |
0.668 |
5 |
0 |
0 |
0.000 |
21 |
|
L |
47 |
13 |
8019 |
◊ |
K |
x,y,z |
1_555 |
43 |
12 |
8100 |
372.1 |
0.9 |
0.620 |
3 |
0 |
0 |
0.000 |
22 |
|
H |
46 |
13 |
8093 |
◊ |
G |
x,y,z |
1_555 |
44 |
12 |
8075 |
368.7 |
1.3 |
0.649 |
4 |
0 |
0 |
0.000 |
Average: |
375.3 |
1.3 |
0.645 |
4 |
0 |
0 |
0.000 |
7 |
23 |
|
D |
31 |
12 |
9076 |
◊ |
G |
-y+1,x-y,z+1/3 |
2_655 |
25 |
8 |
8075 |
264.9 |
-1.2 |
0.461 |
2 |
0 |
0 |
0.066 |
24 |
|
J |
26 |
8 |
8115 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
30 |
12 |
9054 |
258.7 |
-1.0 |
0.486 |
2 |
0 |
0 |
0.066 |
25 |
|
F |
29 |
12 |
9065 |
◊ |
K |
x-y,x,z-1/3 |
6_554 |
23 |
8 |
8100 |
258.7 |
-0.8 |
0.507 |
2 |
0 |
0 |
0.066 |
26 |
|
L |
25 |
8 |
8019 |
◊ |
E |
x-y,x,z-1/3 |
6_554 |
31 |
12 |
9131 |
254.2 |
-1.3 |
0.443 |
2 |
0 |
0 |
0.066 |
27 |
|
B |
32 |
12 |
9062 |
◊ |
I |
-y+1,x-y,z+1/3 |
2_655 |
26 |
9 |
8055 |
252.6 |
-1.1 |
0.474 |
3 |
0 |
0 |
0.066 |
28 |
|
H |
26 |
8 |
8093 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
29 |
11 |
9069 |
246.8 |
-1.1 |
0.466 |
2 |
0 |
0 |
0.066 |
Average: |
256.0 |
-1.1 |
0.473 |
2 |
0 |
0 |
0.066 |
8 |
29 |
|
D |
13 |
5 |
9076 |
x |
B |
-y+1,x-y,z+1/3 |
2_655 |
11 |
4 |
9062 |
120.2 |
0.6 |
0.724 |
2 |
0 |
0 |
0.000 |
30 |
|
B |
16 |
6 |
9062 |
x |
D |
-y+1,x-y,z+1/3 |
2_655 |
12 |
6 |
9076 |
118.8 |
0.7 |
0.735 |
2 |
0 |
0 |
0.000 |
31 |
|
F |
14 |
6 |
9065 |
x |
F |
x-y,x,z-1/3 |
6_554 |
10 |
4 |
9065 |
118.3 |
0.6 |
0.732 |
2 |
0 |
0 |
0.000 |
32 |
|
E |
9 |
3 |
9131 |
x |
E |
x-y,x,z-1/3 |
6_554 |
12 |
5 |
9131 |
117.5 |
1.6 |
0.864 |
3 |
0 |
0 |
0.000 |
33 |
|
A |
15 |
5 |
9054 |
x |
C |
-y+1,x-y,z+1/3 |
2_655 |
12 |
5 |
9069 |
108.3 |
0.9 |
0.785 |
1 |
0 |
0 |
0.000 |
34 |
|
C |
8 |
3 |
9069 |
x |
A |
-y+1,x-y,z+1/3 |
2_655 |
14 |
6 |
9054 |
107.4 |
0.8 |
0.788 |
2 |
0 |
0 |
0.000 |
Average: |
115.1 |
0.9 |
0.771 |
2 |
0 |
0 |
0.000 |
9 |
35 |
|
F |
16 |
6 |
9065 |
◊ |
L |
x-y,x,z-1/3 |
6_554 |
14 |
6 |
8019 |
119.9 |
-1.2 |
0.319 |
1 |
0 |
0 |
0.000 |
36 |
|
D |
17 |
7 |
9076 |
◊ |
H |
-y+1,x-y,z+1/3 |
2_655 |
13 |
6 |
8093 |
117.0 |
-0.3 |
0.409 |
2 |
0 |
0 |
0.000 |
37 |
|
B |
18 |
7 |
9062 |
◊ |
J |
-y+1,x-y,z+1/3 |
2_655 |
14 |
7 |
8115 |
116.8 |
-0.6 |
0.369 |
2 |
0 |
0 |
0.000 |
Average: |
117.9 |
-0.7 |
0.366 |
2 |
0 |
0 |
0.000 |
10 |
38 |
|
I |
10 |
4 |
8055 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
12 |
4 |
9054 |
89.7 |
-0.5 |
0.402 |
1 |
0 |
0 |
0.000 |
39 |
|
G |
11 |
5 |
8075 |
◊ |
C |
-y+1,x-y,z+1/3 |
2_655 |
10 |
4 |
9069 |
80.8 |
-0.3 |
0.479 |
1 |
0 |
0 |
0.000 |
40 |
|
K |
10 |
5 |
8100 |
◊ |
E |
x-y,x,z-1/3 |
6_554 |
9 |
4 |
9131 |
73.2 |
-0.4 |
0.452 |
1 |
0 |
0 |
0.000 |
Average: |
81.2 |
-0.4 |
0.444 |
1 |
0 |
0 |
0.000 |
11 |
41 |
|
J |
8 |
4 |
8115 |
◊ |
G |
-y+1,x-y,z+1/3 |
2_655 |
8 |
3 |
8075 |
68.4 |
-0.6 |
0.410 |
1 |
0 |
0 |
0.018 |
42 |
|
H |
6 |
3 |
8093 |
◊ |
I |
-y+1,x-y,z+1/3 |
2_655 |
8 |
3 |
8055 |
55.9 |
-0.4 |
0.448 |
1 |
0 |
0 |
0.018 |
43 |
|
L |
7 |
3 |
8019 |
◊ |
K |
x-y,x,z-1/3 |
6_554 |
8 |
3 |
8100 |
53.1 |
-0.1 |
0.536 |
1 |
0 |
0 |
0.018 |
Average: |
59.1 |
-0.4 |
0.465 |
1 |
0 |
0 |
0.018 |
12 |
44 |
|
[NA]E:301 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
13 |
6 |
9131 |
65.0 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.229 |
13 |
45 |
|
[NA]L:201 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
7 |
6 |
8019 |
64.0 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.318 |
14 |
46 |
|
[NA]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
9069 |
63.6 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.436 |
47 |
|
[NA]E:302 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
4 |
4 |
9131 |
63.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.436 |
Average: |
63.4 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.436 |
15 |
48 |
|
B |
14 |
9 |
9062 |
f |
[NA]I:202 |
-y+1,x-y,z+1/3 |
2_655 |
1 |
1 |
125 |
54.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.338 |
16 |
49 |
|
[NA]J:201 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
11 |
5 |
8115 |
53.1 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.277 |
17 |
50 |
|
[NA]L:202 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
9 |
4 |
8019 |
47.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.153 |
18 |
51 |
|
[NA]I:202 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
4 |
3 |
8055 |
37.7 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.052 |
19 |
52 |
|
[NA]I:201 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
7 |
2 |
8055 |
36.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.071 |
53 |
|
H |
4 |
2 |
8093 |
◊ |
[NA]I:201 |
-y+1,x-y,z+1/3 |
2_655 |
1 |
1 |
125 |
9.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.071 |
Average: |
22.7 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.071 |
20 |
54 |
|
[CL]F:301 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
9065 |
35.7 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.110 |
55 |
|
[CL]D:301 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
9076 |
35.5 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.110 |
56 |
|
[CL]F:301 |
1 |
1 |
125 |
◊ |
E |
x-y,x,z-1/3 |
6_554 |
4 |
2 |
9131 |
34.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.110 |
57 |
|
[CL]D:301 |
1 |
1 |
125 |
◊ |
A |
-y+1,x-y,z+1/3 |
2_655 |
4 |
2 |
9054 |
32.0 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.110 |
Average: |
34.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.110 |
21 |
58 |
|
[NA]L:202 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
5 |
2 |
9065 |
35.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.107 |
22 |
59 |
|
B |
4 |
2 |
9062 |
◊ |
[NA]I:201 |
-y+1,x-y,z+1/3 |
2_655 |
1 |
1 |
125 |
33.8 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.075 |
60 |
|
[NA]I:201 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
9069 |
30.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.075 |
Average: |
31.9 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.075 |
23 |
61 |
|
[CL]D:301 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
7 |
2 |
8115 |
33.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.090 |
62 |
|
[CL]F:301 |
1 |
1 |
125 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
8019 |
31.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.090 |
63 |
|
[CL]D:301 |
1 |
1 |
125 |
◊ |
G |
-y+1,x-y,z+1/3 |
2_655 |
5 |
2 |
8075 |
11.3 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.090 |
64 |
|
[CL]F:301 |
1 |
1 |
125 |
◊ |
K |
x-y,x,z-1/3 |
6_554 |
6 |
2 |
8100 |
9.8 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.090 |
Average: |
21.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.090 |
24 |
65 |
|
[NA]E:301 |
1 |
1 |
125 |
◊ |
F |
-x,-y,z |
4_555 |
3 |
2 |
9065 |
32.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.000 |
25 |
66 |
|
F |
3 |
2 |
9065 |
◊ |
[NA]L:202 |
x-y,x,z-1/3 |
6_554 |
1 |
1 |
125 |
25.8 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.000 |
26 |
67 |
|
F |
1 |
1 |
9065 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
9131 |
2.1 |
0.1 |
0.740 |
0 |
0 |
0 |
0.000 |
|