## |
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 |
|
D |
95 |
24 |
4021 |
◊ |
C |
x,y,z |
1_555 |
103 |
26 |
4109 |
921.8 |
-20.0 |
0.047 |
4 |
6 |
0 |
0.442 |
2 |
|
B |
90 |
24 |
4054 |
◊ |
B |
x,-y,-z-1 |
4_554 |
90 |
24 |
4054 |
897.3 |
-19.2 |
0.058 |
4 |
8 |
0 |
0.442 |
3 |
|
A |
86 |
24 |
3988 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
86 |
24 |
3988 |
793.4 |
-18.1 |
0.047 |
4 |
4 |
0 |
0.442 |
Average: |
870.8 |
-19.1 |
0.051 |
4 |
6 |
0 |
0.442 |
2 |
4 |
|
B |
56 |
15 |
4054 |
◊ |
A |
x,-y,-z |
4_555 |
60 |
17 |
3988 |
558.2 |
-1.5 |
0.756 |
5 |
10 |
0 |
0.000 |
3 |
5 |
|
D |
29 |
8 |
4021 |
x |
D |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
29 |
7 |
4021 |
250.7 |
0.9 |
0.798 |
3 |
3 |
0 |
0.000 |
4 |
6 |
|
B |
26 |
7 |
4054 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
25 |
5 |
4109 |
221.8 |
-2.4 |
0.480 |
4 |
0 |
0 |
0.000 |
5 |
7 |
|
A |
24 |
8 |
3988 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
20 |
6 |
4109 |
212.7 |
-2.3 |
0.410 |
3 |
0 |
0 |
0.000 |
6 |
8 |
|
D |
23 |
8 |
4021 |
◊ |
A |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
24 |
6 |
3988 |
191.4 |
-2.5 |
0.367 |
1 |
0 |
0 |
0.000 |
7 |
9 |
|
B |
27 |
5 |
4054 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
23 |
5 |
3988 |
189.6 |
-2.5 |
0.473 |
1 |
0 |
0 |
0.000 |
8 |
10 |
|
D |
19 |
5 |
4021 |
◊ |
C |
-x+1,y,-z-1/2 |
3_654 |
17 |
7 |
4109 |
150.9 |
-2.7 |
0.298 |
2 |
0 |
0 |
0.052 |
9 |
11 |
|
C |
18 |
5 |
4109 |
◊ |
C |
-x+1,y,-z-1/2 |
3_654 |
18 |
5 |
4109 |
122.3 |
-2.7 |
0.358 |
0 |
0 |
0 |
0.020 |
10 |
12 |
|
A |
16 |
3 |
3988 |
◊ |
D |
x-1/2,-y+1/2,-z |
8_455 |
13 |
4 |
4021 |
112.9 |
-3.1 |
0.260 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[ACE]C:0 |
3 |
1 |
171 |
cf |
C |
x,y,z |
1_555 |
11 |
5 |
4109 |
88.0 |
-1.0 |
0.713 |
2 |
0 |
0 |
0.233 |
12 |
14 |
|
C |
10 |
3 |
4109 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
10 |
4 |
3988 |
85.5 |
1.2 |
0.811 |
1 |
2 |
0 |
0.000 |
13 |
15 |
|
B |
11 |
2 |
4054 |
◊ |
A |
-x+1,-y,z-3/2 |
2_653 |
12 |
2 |
3988 |
85.1 |
-1.6 |
0.430 |
0 |
0 |
0 |
0.000 |
16 |
|
B |
10 |
2 |
4054 |
◊ |
A |
x,y,z |
1_555 |
11 |
2 |
3988 |
71.6 |
-1.5 |
0.408 |
0 |
0 |
0 |
0.000 |
Average: |
78.4 |
-1.6 |
0.419 |
0 |
0 |
0 |
0.000 |
14 |
17 |
|
[ACE]B:0 |
3 |
1 |
171 |
cf |
B |
x,y,z |
1_555 |
9 |
5 |
4054 |
85.1 |
-0.9 |
0.718 |
2 |
0 |
0 |
0.069 |
15 |
18 |
|
D |
8 |
2 |
4021 |
◊ |
A |
x,y,z-1 |
1_554 |
11 |
4 |
3988 |
81.8 |
0.2 |
0.728 |
1 |
2 |
0 |
0.000 |
16 |
19 |
|
[ACE]A:0 |
3 |
1 |
172 |
cf |
A |
x,y,z |
1_555 |
7 |
5 |
3988 |
78.5 |
-0.8 |
0.645 |
3 |
0 |
0 |
0.074 |
17 |
20 |
|
[ACE]D:0 |
3 |
1 |
172 |
cf |
D |
x,y,z |
1_555 |
10 |
5 |
4021 |
75.1 |
-0.9 |
0.713 |
2 |
0 |
0 |
0.029 |
18 |
21 |
|
C |
10 |
4 |
4109 |
◊ |
A |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
8 |
4 |
3988 |
66.0 |
-1.6 |
0.246 |
0 |
0 |
0 |
0.000 |
19 |
22 |
|
D |
6 |
2 |
4021 |
◊ |
D |
-x+1,y,-z-1/2 |
3_654 |
6 |
2 |
4021 |
61.1 |
-2.0 |
0.153 |
0 |
0 |
0 |
0.014 |
20 |
23 |
|
[NH2]C:49 |
1 |
1 |
117 |
c |
C |
x,y,z |
1_555 |
8 |
3 |
4109 |
59.3 |
0.9 |
0.771 |
0 |
0 |
0 |
0.000 |
24 |
|
[NH2]B:49 |
1 |
1 |
117 |
c |
B |
x,y,z |
1_555 |
6 |
3 |
4054 |
46.9 |
0.6 |
0.783 |
0 |
0 |
0 |
0.000 |
25 |
|
[NH2]A:49 |
1 |
1 |
117 |
c |
A |
x,y,z |
1_555 |
9 |
4 |
3988 |
42.0 |
0.3 |
0.745 |
0 |
0 |
0 |
0.000 |
26 |
|
[NH2]B:49 |
1 |
1 |
117 |
◊ |
A |
x,-y,-z |
4_555 |
6 |
3 |
3988 |
27.7 |
0.1 |
0.750 |
0 |
0 |
0 |
0.000 |
Average: |
44.0 |
0.5 |
0.762 |
0 |
0 |
0 |
0.000 |
21 |
27 |
|
[CO]D:106 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
4021 |
51.4 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.100 |
22 |
28 |
|
[NH2]D:49 |
1 |
1 |
117 |
cf |
D |
x,y,z |
1_555 |
7 |
3 |
4021 |
50.7 |
0.4 |
0.742 |
0 |
0 |
0 |
0.000 |
23 |
29 |
|
[ACE]A:0 |
1 |
1 |
172 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
7 |
2 |
4109 |
47.5 |
-1.4 |
0.392 |
0 |
0 |
0 |
0.000 |
24 |
30 |
|
[CO]A:105 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
3 |
3988 |
45.3 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.145 |
25 |
31 |
|
[CO]C:103 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
4109 |
41.5 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.879 |
32 |
|
[CO]B:102 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
6 |
4 |
4054 |
41.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.879 |
33 |
|
[CO]A:101 |
1 |
1 |
125 |
cf |
A |
x,y,z |
1_555 |
6 |
3 |
3988 |
40.5 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.879 |
34 |
|
[CO]D:104 |
1 |
1 |
125 |
cf |
D |
x,y,z |
1_555 |
5 |
3 |
4021 |
39.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.879 |
Average: |
40.7 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.879 |
26 |
35 |
|
[ACE]D:0 |
3 |
1 |
172 |
◊ |
A |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
8 |
3 |
3988 |
36.2 |
-0.8 |
0.684 |
0 |
0 |
0 |
0.000 |
27 |
36 |
|
[CO]B:102 |
1 |
1 |
125 |
◊ |
B |
x,-y,-z-1 |
4_554 |
9 |
5 |
4054 |
35.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.175 |
37 |
|
[CO]C:103 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
10 |
6 |
4021 |
35.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.175 |
38 |
|
[CO]A:101 |
1 |
1 |
125 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
8 |
5 |
3988 |
35.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.175 |
39 |
|
[CO]D:104 |
1 |
1 |
125 |
c |
C |
x,y,z |
1_555 |
10 |
6 |
4109 |
33.9 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.175 |
Average: |
35.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.175 |
28 |
40 |
|
[NH2]A:49 |
1 |
1 |
117 |
f |
B |
x,-y,-z |
4_555 |
9 |
3 |
4054 |
33.2 |
0.1 |
0.774 |
0 |
0 |
0 |
0.000 |
29 |
41 |
|
[CO]D:107 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
4 |
1 |
4021 |
32.3 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.054 |
30 |
42 |
|
[CO]A:105 |
1 |
1 |
125 |
◊ |
B |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
4054 |
31.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.000 |
31 |
43 |
|
[NH2]D:49 |
1 |
1 |
117 |
◊ |
A |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
5 |
2 |
3988 |
26.5 |
-0.0 |
0.671 |
0 |
0 |
0 |
0.000 |
44 |
|
[NH2]A:49 |
1 |
1 |
117 |
◊ |
C |
x-1/2,-y+1/2,-z |
8_455 |
3 |
1 |
4109 |
10.0 |
0.5 |
0.916 |
0 |
0 |
0 |
0.000 |
45 |
|
[NH2]C:49 |
1 |
1 |
117 |
◊ |
D |
-x+1,y,-z-1/2 |
3_654 |
4 |
2 |
4021 |
6.1 |
0.0 |
0.807 |
0 |
0 |
0 |
0.000 |
Average: |
14.2 |
0.2 |
0.798 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
D |
2 |
1 |
4021 |
◊ |
[ACE]D:0 |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
2 |
1 |
172 |
23.8 |
0.0 |
0.874 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[ACE]C:0 |
1 |
1 |
171 |
◊ |
D |
-x+1,y,-z-1/2 |
3_654 |
3 |
2 |
4021 |
23.7 |
-0.5 |
0.621 |
0 |
0 |
0 |
0.008 |
34 |
48 |
|
[CO]D:106 |
1 |
1 |
125 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
3988 |
23.0 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.000 |
35 |
49 |
|
A |
9 |
1 |
3988 |
◊ |
[NH2]D:49 |
x-1/2,-y+1/2,-z |
8_455 |
1 |
1 |
117 |
18.7 |
-0.1 |
0.782 |
0 |
0 |
0 |
0.000 |
36 |
50 |
|
[NH2]B:49 |
1 |
1 |
117 |
◊ |
[NH2]A:49 |
x,-y,-z |
4_555 |
1 |
1 |
117 |
18.4 |
0.4 |
1.000 |
0 |
0 |
0 |
0.000 |
37 |
51 |
|
[CO]D:106 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
4109 |
16.6 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.025 |
38 |
52 |
|
D |
6 |
2 |
4021 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
2 |
2 |
3988 |
14.7 |
0.3 |
0.766 |
0 |
0 |
0 |
0.000 |
39 |
53 |
|
B |
5 |
3 |
4054 |
◊ |
C |
x-1/2,y-1/2,z |
5_445 |
2 |
1 |
4109 |
14.3 |
0.3 |
0.766 |
0 |
0 |
0 |
0.000 |
40 |
54 |
|
[ACE]C:0 |
2 |
1 |
171 |
◊ |
A |
-x+1,y,-z+1/2 |
3_655 |
3 |
1 |
3988 |
14.1 |
-0.1 |
0.823 |
0 |
0 |
0 |
0.000 |
41 |
55 |
|
[CO]D:104 |
1 |
1 |
125 |
◊ |
[CO]C:103 |
x,y,z |
1_555 |
1 |
1 |
125 |
13.4 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.043 |
42 |
56 |
|
[CO]A:101 |
1 |
1 |
125 |
◊ |
[CO]A:101 |
-x+1,y,-z+1/2 |
3_655 |
1 |
1 |
125 |
12.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.045 |
43 |
57 |
|
[CO]B:102 |
1 |
1 |
125 |
◊ |
[CO]B:102 |
x,-y,-z-1 |
4_554 |
1 |
1 |
125 |
12.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.051 |
44 |
58 |
|
[ACE]A:0 |
2 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
4054 |
7.0 |
-0.0 |
0.860 |
0 |
0 |
0 |
0.000 |
45 |
59 |
|
B |
1 |
1 |
4054 |
◊ |
C |
x-1/2,y-1/2,z-1 |
5_444 |
1 |
1 |
4109 |
5.2 |
-0.2 |
0.438 |
0 |
0 |
0 |
0.000 |
46 |
60 |
|
[ACE]B:0 |
2 |
1 |
171 |
◊ |
A |
-x+1,-y,z-3/2 |
2_653 |
1 |
1 |
3988 |
3.2 |
-0.0 |
0.843 |
0 |
0 |
0 |
0.000 |
47 |
61 |
|
[CO]D:107 |
1 |
1 |
125 |
◊ |
C |
-x+3/2,-y+1/2,z-1/2 |
6_654 |
1 |
1 |
4109 |
2.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|