## |
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 |
|
B |
144 |
40 |
26433 |
◊ |
A |
x,y,z |
1_555 |
143 |
41 |
26552 |
1269.2 |
-3.7 |
0.604 |
5 |
2 |
0 |
0.057 |
2 |
|
D |
144 |
41 |
25988 |
◊ |
C |
x,y,z |
1_555 |
144 |
42 |
26128 |
1265.2 |
-3.7 |
0.638 |
8 |
2 |
0 |
0.057 |
Average: |
1267.2 |
-3.7 |
0.621 |
7 |
2 |
0 |
0.057 |
2 |
3 |
|
C |
59 |
14 |
26128 |
◊ |
B |
x,y,z |
1_555 |
54 |
13 |
26433 |
530.7 |
-6.7 |
0.121 |
6 |
7 |
0 |
0.065 |
4 |
|
D |
55 |
14 |
25988 |
◊ |
A |
x,y,z |
1_555 |
56 |
15 |
26552 |
526.9 |
-6.4 |
0.129 |
6 |
9 |
0 |
0.065 |
Average: |
528.8 |
-6.5 |
0.125 |
6 |
8 |
0 |
0.065 |
3 |
5 |
|
A |
43 |
15 |
26552 |
◊ |
D |
x-1,y,z |
1_455 |
49 |
18 |
25988 |
418.7 |
-1.7 |
0.531 |
2 |
1 |
0 |
0.000 |
6 |
|
B |
43 |
17 |
26433 |
◊ |
C |
x,y,z-1 |
1_554 |
35 |
15 |
26128 |
388.2 |
-1.5 |
0.530 |
5 |
0 |
0 |
0.000 |
Average: |
403.4 |
-1.6 |
0.531 |
4 |
1 |
0 |
0.000 |
4 |
7 |
|
A |
44 |
13 |
26552 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
42 |
11 |
26128 |
381.3 |
-0.1 |
0.661 |
8 |
8 |
0 |
0.000 |
5 |
8 |
|
C |
37 |
9 |
26128 |
◊ |
A |
x,y,z |
1_555 |
37 |
10 |
26552 |
371.1 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.074 |
9 |
|
D |
36 |
8 |
25988 |
◊ |
B |
x,y,z |
1_555 |
36 |
8 |
26433 |
370.0 |
-11.7 |
0.000 |
1 |
0 |
0 |
0.074 |
Average: |
370.6 |
-11.7 |
0.000 |
1 |
0 |
0 |
0.074 |
6 |
10 |
|
C |
30 |
11 |
26128 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
27 |
10 |
26552 |
210.3 |
1.3 |
0.780 |
1 |
0 |
0 |
0.000 |
7 |
11 |
|
[GOL]A:2310 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
27 |
11 |
26552 |
150.5 |
-0.3 |
0.577 |
2 |
0 |
0 |
0.008 |
8 |
12 |
|
[GOL]A:2302 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
23 |
6 |
26552 |
130.8 |
0.5 |
0.667 |
4 |
0 |
0 |
0.021 |
13 |
|
[GOL]B:2305 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
22 |
6 |
26433 |
129.7 |
0.4 |
0.671 |
5 |
0 |
0 |
0.021 |
14 |
|
[GOL]C:2304 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
26128 |
129.6 |
0.4 |
0.674 |
5 |
0 |
0 |
0.021 |
Average: |
130.1 |
0.4 |
0.671 |
5 |
0 |
0 |
0.021 |
9 |
15 |
|
[GOL]D:2301 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
23 |
6 |
25988 |
130.7 |
0.4 |
0.667 |
4 |
0 |
0 |
0.010 |
10 |
16 |
|
[GOL]A:2309 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
27 |
11 |
26433 |
130.1 |
0.3 |
0.649 |
3 |
0 |
0 |
0.007 |
11 |
17 |
|
[GOL]A:2306 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
9 |
26552 |
128.5 |
0.4 |
0.598 |
5 |
0 |
0 |
0.013 |
12 |
18 |
|
[GOL]A:2307 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
19 |
7 |
26552 |
127.3 |
-1.0 |
0.417 |
2 |
0 |
0 |
0.013 |
13 |
19 |
|
[GOL]C:2305 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
27 |
11 |
26128 |
122.5 |
-0.3 |
0.557 |
3 |
0 |
0 |
0.012 |
14 |
20 |
|
[GOL]B:2308 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
18 |
8 |
26433 |
122.3 |
-0.4 |
0.571 |
6 |
0 |
0 |
0.021 |
15 |
21 |
|
[GOL]C:2301 |
5 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
26 |
12 |
25988 |
120.9 |
-0.2 |
0.557 |
3 |
0 |
0 |
0.012 |
16 |
22 |
|
[GOL]A:2303 |
6 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
25 |
12 |
26552 |
119.8 |
-0.7 |
0.496 |
4 |
0 |
0 |
0.017 |
17 |
23 |
|
[GOL]A:2304 |
6 |
1 |
215 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
26552 |
115.8 |
-0.6 |
0.527 |
6 |
0 |
0 |
0.022 |
18 |
24 |
|
[GOL]A:2308 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
26552 |
107.2 |
-1.0 |
0.430 |
1 |
0 |
0 |
0.010 |
19 |
25 |
|
[GOL]B:2307 |
6 |
1 |
218 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
26433 |
105.4 |
1.0 |
0.748 |
4 |
0 |
0 |
0.003 |
20 |
26 |
|
[GOL]D:2303 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
18 |
6 |
25988 |
104.8 |
1.2 |
0.792 |
4 |
0 |
0 |
0.004 |
21 |
27 |
|
B |
15 |
5 |
26433 |
f |
[GOL]C:2307 |
x,y,z-1 |
1_554 |
6 |
1 |
219 |
104.6 |
-1.0 |
0.423 |
2 |
0 |
0 |
0.013 |
22 |
28 |
|
[GOL]D:2302 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
25988 |
103.5 |
0.2 |
0.636 |
4 |
0 |
0 |
0.012 |
23 |
29 |
|
[GOL]A:2301 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
23 |
7 |
26552 |
101.1 |
-0.9 |
0.477 |
2 |
0 |
0 |
0.012 |
30 |
|
[GOL]C:2303 |
5 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
26128 |
92.0 |
-0.4 |
0.530 |
2 |
0 |
0 |
0.012 |
Average: |
96.5 |
-0.6 |
0.504 |
2 |
0 |
0 |
0.012 |
24 |
31 |
|
[GOL]A:2305 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
26552 |
100.2 |
0.8 |
0.726 |
6 |
0 |
0 |
0.013 |
25 |
32 |
|
[GOL]B:2306 |
6 |
1 |
212 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
26433 |
84.2 |
0.1 |
0.654 |
0 |
0 |
0 |
0.000 |
26 |
33 |
|
[GOL]C:2302 |
5 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
13 |
6 |
26128 |
84.0 |
0.7 |
0.735 |
7 |
0 |
0 |
0.018 |
27 |
34 |
|
[GOL]C:2303 |
6 |
1 |
218 |
◊ |
A |
-x,y-1/2,-z+1 |
2_546 |
13 |
5 |
26552 |
81.8 |
0.5 |
0.731 |
2 |
0 |
0 |
0.000 |
35 |
|
C |
10 |
4 |
26128 |
◊ |
[GOL]A:2301 |
-x,y-1/2,-z+1 |
2_546 |
6 |
1 |
218 |
64.8 |
0.8 |
0.765 |
2 |
0 |
0 |
0.000 |
Average: |
73.3 |
0.7 |
0.748 |
2 |
0 |
0 |
0.000 |
28 |
36 |
|
[GOL]B:2306 |
6 |
1 |
212 |
f |
A |
x,y,z |
1_555 |
14 |
6 |
26552 |
76.0 |
-0.2 |
0.600 |
1 |
0 |
0 |
0.004 |
29 |
37 |
|
B |
9 |
3 |
26433 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
10 |
5 |
25988 |
75.2 |
2.2 |
0.916 |
3 |
4 |
0 |
0.000 |
30 |
38 |
|
[FE2]C:1500 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
26128 |
68.8 |
-13.7 |
0.000 |
0 |
0 |
0 |
0.206 |
39 |
|
[FE2]B:1500 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
26433 |
68.6 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.206 |
40 |
|
[FE2]D:1500 |
1 |
1 |
137 |
f |
D |
x,y,z |
1_555 |
4 |
4 |
25988 |
68.6 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.206 |
41 |
|
[FE2]A:1500 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
26552 |
68.5 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.206 |
Average: |
68.6 |
-13.6 |
0.000 |
0 |
0 |
0 |
0.206 |
31 |
42 |
|
[GOL]C:2307 |
4 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
26128 |
68.7 |
0.4 |
0.587 |
1 |
0 |
0 |
0.000 |
32 |
43 |
|
[CL]C:2402 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
10 |
5 |
26128 |
65.8 |
-10.0 |
0.000 |
0 |
0 |
0 |
0.076 |
44 |
|
[CL]A:2402 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
26552 |
64.4 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.076 |
Average: |
65.1 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.076 |
33 |
45 |
|
[GOL]C:2301 |
4 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
26128 |
65.7 |
1.0 |
0.761 |
2 |
0 |
0 |
0.000 |
34 |
46 |
|
[GOL]C:2305 |
4 |
1 |
219 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
25988 |
65.7 |
0.7 |
0.750 |
1 |
0 |
0 |
0.000 |
35 |
47 |
|
[CL]B:2401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
26433 |
65.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.189 |
48 |
|
[CL]A:2401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
26552 |
65.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.189 |
49 |
|
[CL]D:2401 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
25988 |
65.1 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.189 |
50 |
|
[CL]C:2401 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
4 |
4 |
26128 |
62.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.189 |
Average: |
64.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.189 |
36 |
51 |
|
[GOL]A:2309 |
4 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
26552 |
62.7 |
0.5 |
0.649 |
2 |
0 |
0 |
0.003 |
37 |
52 |
|
[GOL]C:2302 |
4 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
26433 |
49.4 |
-0.0 |
0.635 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
[CA]C:1502 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
26128 |
44.5 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.112 |
54 |
|
[CA]A:1067 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
26433 |
43.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.112 |
55 |
|
[CA]C:1067 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
25988 |
43.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.112 |
56 |
|
[CA]A:1502 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
26552 |
42.9 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.112 |
Average: |
43.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.112 |
39 |
57 |
|
[GOL]B:2306 |
5 |
1 |
212 |
f |
[GOL]A:2303 |
x,y,z |
1_555 |
5 |
1 |
220 |
44.4 |
0.2 |
0.678 |
2 |
0 |
0 |
0.004 |
40 |
58 |
|
[CA]D:1501 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
4 |
3 |
25988 |
43.3 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.190 |
59 |
|
[CA]C:1501 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
4 |
3 |
26128 |
43.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.190 |
60 |
|
[CA]B:1501 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
4 |
3 |
26433 |
43.1 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.190 |
61 |
|
[CA]A:1501 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
5 |
3 |
26552 |
43.0 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.190 |
Average: |
43.2 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.190 |
41 |
62 |
|
[GOL]A:2306 |
4 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
26433 |
42.2 |
0.8 |
0.741 |
2 |
0 |
0 |
0.000 |
42 |
63 |
|
[GOL]A:2305 |
4 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
25988 |
41.6 |
0.1 |
0.632 |
1 |
0 |
0 |
0.000 |
43 |
64 |
|
[GOL]B:2307 |
4 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
7 |
1 |
26128 |
38.4 |
-0.0 |
0.580 |
2 |
0 |
0 |
0.007 |
44 |
65 |
|
A |
5 |
1 |
26552 |
◊ |
B |
x-1,y,z |
1_455 |
2 |
1 |
26433 |
36.8 |
-0.6 |
0.184 |
0 |
0 |
0 |
0.000 |
66 |
|
D |
1 |
1 |
25988 |
◊ |
C |
x,y,z-1 |
1_554 |
1 |
1 |
26128 |
6.8 |
0.1 |
0.468 |
0 |
0 |
0 |
0.000 |
Average: |
21.8 |
-0.2 |
0.326 |
0 |
0 |
0 |
0.000 |
45 |
67 |
|
[GOL]D:2302 |
3 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
6 |
1 |
26552 |
35.9 |
0.3 |
0.627 |
0 |
0 |
0 |
0.000 |
46 |
68 |
|
[CA]A:1502 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
6 |
4 |
26433 |
30.2 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.073 |
69 |
|
[CA]C:1067 |
1 |
1 |
85 |
◊ |
C |
x,y,z |
1_555 |
6 |
4 |
26128 |
30.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.073 |
70 |
|
[CA]A:1067 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
6 |
4 |
26552 |
29.5 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.073 |
71 |
|
[CA]C:1502 |
1 |
1 |
85 |
◊ |
D |
x,y,z |
1_555 |
6 |
4 |
25988 |
29.2 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
29.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.073 |
47 |
72 |
|
A |
2 |
1 |
26552 |
◊ |
[CL]C:2402 |
-x,y-1/2,-z+1 |
2_546 |
1 |
1 |
125 |
25.8 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.000 |
48 |
73 |
|
B |
4 |
4 |
26433 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
25988 |
22.5 |
0.9 |
0.839 |
0 |
0 |
0 |
0.000 |
49 |
74 |
|
[GOL]C:2303 |
3 |
1 |
218 |
◊ |
[GOL]A:2301 |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
218 |
22.1 |
0.4 |
0.750 |
1 |
0 |
0 |
0.000 |
50 |
75 |
|
[GOL]A:2303 |
2 |
1 |
220 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
26433 |
15.6 |
0.4 |
0.755 |
0 |
0 |
0 |
0.000 |
51 |
76 |
|
A |
1 |
1 |
26552 |
◊ |
D |
-x,y-1/2,-z |
2_545 |
1 |
1 |
25988 |
4.7 |
-0.2 |
0.296 |
0 |
0 |
0 |
0.000 |
|