## |
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 |
|
A |
54 |
18 |
6461 |
◊ |
A |
y,x,-z+1 |
6_556 |
54 |
18 |
6461 |
503.2 |
1.4 |
0.628 |
5 |
0 |
0 |
0.002 |
2 |
2 |
|
A |
53 |
10 |
6461 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
53 |
10 |
6461 |
467.0 |
-1.4 |
0.379 |
3 |
8 |
0 |
0.000 |
3 |
3 |
|
A |
29 |
9 |
6461 |
x |
A |
-y+1/2,x+1/2,z-1/4 |
2_554 |
33 |
11 |
6461 |
256.1 |
1.7 |
0.676 |
4 |
0 |
0 |
0.000 |
4 |
4 |
|
[DO3]A:202 |
18 |
1 |
515 |
f |
A |
x,y,z |
1_555 |
28 |
7 |
6461 |
177.6 |
2.3 |
0.363 |
1 |
0 |
0 |
0.000 |
5 |
5 |
|
A |
21 |
7 |
6461 |
x |
A |
-y+1/2,x+1/2,z+3/4 |
2_555 |
20 |
5 |
6461 |
171.0 |
-1.4 |
0.303 |
0 |
0 |
0 |
0.000 |
6 |
6 |
|
[DO3]A:206 |
21 |
1 |
513 |
f |
[DO3]A:204 |
x,y,z |
1_555 |
23 |
1 |
513 |
147.1 |
3.7 |
0.133 |
2 |
0 |
0 |
0.000 |
7 |
7 |
|
A |
24 |
7 |
6461 |
f |
[DO3]A:204 |
x,y,z-1 |
1_554 |
14 |
1 |
513 |
121.1 |
0.9 |
0.265 |
0 |
0 |
0 |
0.000 |
8 |
8 |
|
A |
22 |
5 |
6461 |
f |
[DO3]A:206 |
x,y,z-1 |
1_554 |
14 |
1 |
513 |
107.6 |
3.2 |
0.624 |
0 |
0 |
0 |
0.000 |
9 |
9 |
|
[DO3]A:202 |
10 |
1 |
515 |
◊ |
A |
-y+1/2,x+1/2,z+3/4 |
2_555 |
16 |
5 |
6461 |
77.1 |
1.1 |
0.382 |
0 |
0 |
0 |
0.000 |
10 |
10 |
|
[DO3]A:204 |
10 |
1 |
513 |
◊ |
A |
-y+1/2,x+1/2,z+3/4 |
2_555 |
13 |
4 |
6461 |
75.0 |
0.9 |
0.358 |
0 |
0 |
0 |
0.000 |
11 |
11 |
|
[DO3]A:204 |
13 |
1 |
513 |
◊ |
[DO3]A:202 |
x,y,z |
1_555 |
13 |
1 |
515 |
73.3 |
0.3 |
0.057 |
1 |
0 |
0 |
0.000 |
12 |
12 |
|
[CL]A:210 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
8 |
6461 |
72.2 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.056 |
13 |
13 |
|
[CL]A:208 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
6 |
6461 |
71.6 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.060 |
14 |
14 |
|
[CL]A:209 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
6461 |
70.3 |
-10.3 |
0.000 |
0 |
0 |
0 |
0.053 |
15 |
15 |
|
[NA]A:223 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
6461 |
67.5 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.063 |
16 |
16 |
|
[DO3]A:206 |
10 |
1 |
513 |
◊ |
[DO3]A:202 |
x,y,z |
1_555 |
11 |
1 |
515 |
64.7 |
-1.0 |
0.035 |
1 |
0 |
0 |
0.000 |
17 |
17 |
|
[CL]A:212 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
6461 |
62.7 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.064 |
18 |
18 |
|
[NA]A:221 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
6461 |
60.7 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.057 |
19 |
19 |
|
[NA]A:224 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
6461 |
58.8 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.043 |
20 |
20 |
|
[CL]A:216 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6461 |
55.9 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.042 |
21 |
21 |
|
[DO3]A:202 |
8 |
1 |
515 |
f |
[GD]A:201 |
x,y,z |
1_555 |
1 |
1 |
216 |
55.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.099 |
22 |
|
[DO3]A:206 |
11 |
1 |
513 |
f |
[GD]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
45.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.099 |
23 |
|
[DO3]A:204 |
9 |
1 |
513 |
f |
[GD]A:205 |
x,y,z |
1_555 |
1 |
1 |
216 |
44.3 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.099 |
24 |
|
[DO3]A:206 |
9 |
1 |
513 |
f |
[GD]A:205 |
x,y,z |
1_555 |
1 |
1 |
216 |
44.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.099 |
25 |
|
[DO3]A:204 |
8 |
1 |
513 |
f |
[GD]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
41.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.099 |
Average: |
46.3 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.099 |
22 |
26 |
|
[CL]A:214 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
6461 |
55.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.037 |
23 |
27 |
|
[CL]A:215 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
6461 |
55.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.039 |
24 |
28 |
|
A |
6 |
2 |
6461 |
◊ |
A |
y,x,-z+2 |
6_557 |
5 |
2 |
6461 |
54.5 |
-1.3 |
0.159 |
0 |
0 |
0 |
0.000 |
25 |
29 |
|
[CL]A:217 |
1 |
1 |
125 |
f |
A |
y,x,-z+1 |
6_556 |
12 |
6 |
6461 |
53.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.037 |
26 |
30 |
|
[NA]A:222 |
1 |
1 |
125 |
f |
A |
y,x,-z+1 |
6_556 |
8 |
4 |
6461 |
49.1 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.032 |
27 |
31 |
|
[NA]A:222 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
3 |
6461 |
44.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.027 |
28 |
32 |
|
[GD]A:201 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
19 |
5 |
6461 |
44.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.011 |
29 |
33 |
|
A |
9 |
4 |
6461 |
f |
[CL]A:207 |
-y+1/2,x+1/2,z-1/4 |
2_554 |
1 |
1 |
125 |
44.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.032 |
30 |
34 |
|
[CL]A:213 |
1 |
1 |
125 |
f |
A |
y,x,-z+1 |
6_556 |
9 |
6 |
6461 |
44.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.031 |
31 |
35 |
|
A |
7 |
5 |
6461 |
◊ |
[NA]A:220 |
-y+1/2,x+1/2,z-1/4 |
2_554 |
1 |
1 |
125 |
42.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.000 |
32 |
36 |
|
[CL]A:218 |
1 |
1 |
125 |
f |
A |
x,y,z-1 |
1_554 |
10 |
3 |
6461 |
41.9 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.027 |
33 |
37 |
|
[CL]A:217 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6461 |
40.7 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.021 |
34 |
38 |
|
[NA]A:220 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
3 |
6461 |
40.2 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.026 |
35 |
39 |
|
[DO3]A:206 |
5 |
1 |
513 |
◊ |
A |
-y+1/2,x+1/2,z+3/4 |
2_555 |
9 |
3 |
6461 |
40.1 |
0.7 |
0.503 |
0 |
0 |
0 |
0.000 |
36 |
40 |
|
[CL]A:207 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
12 |
6 |
6461 |
39.8 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
37 |
41 |
|
[CL]A:213 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
6461 |
39.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.026 |
38 |
42 |
|
A |
5 |
3 |
6461 |
◊ |
[CL]A:215 |
-y+1/2,x+1/2,z-1/4 |
2_554 |
1 |
1 |
125 |
39.3 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
43 |
|
[NA]A:224 |
1 |
1 |
125 |
f |
[CL]A:214 |
x,y,z |
1_555 |
1 |
1 |
125 |
29.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.031 |
40 |
44 |
|
[GD]A:205 |
1 |
1 |
216 |
f |
[GD]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
28.5 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.015 |
41 |
45 |
|
[DO3]A:204 |
8 |
1 |
513 |
◊ |
[GD]A:201 |
x,y,z |
1_555 |
1 |
1 |
216 |
28.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.000 |
46 |
|
[DO3]A:202 |
9 |
1 |
515 |
◊ |
[GD]A:205 |
x,y,z |
1_555 |
1 |
1 |
216 |
19.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
23.7 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
47 |
|
[DO3]A:206 |
5 |
1 |
513 |
◊ |
[GD]A:201 |
x,y,z |
1_555 |
1 |
1 |
216 |
28.0 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
43 |
48 |
|
[DO3]A:202 |
7 |
1 |
515 |
◊ |
[GD]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
27.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.000 |
44 |
49 |
|
[CL]A:219 |
1 |
1 |
125 |
f |
[DO3]A:206 |
x,y,z |
1_555 |
5 |
1 |
513 |
26.6 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.015 |
45 |
50 |
|
[DO3]A:206 |
4 |
1 |
513 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6461 |
26.4 |
0.2 |
0.393 |
0 |
0 |
0 |
0.000 |
46 |
51 |
|
[CL]A:219 |
1 |
1 |
125 |
f |
[DO3]A:204 |
x,y,z |
1_555 |
7 |
1 |
513 |
26.2 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.014 |
47 |
52 |
|
A |
5 |
2 |
6461 |
f |
[CL]A:219 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
23.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.013 |
48 |
53 |
|
[CL]A:216 |
1 |
1 |
125 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
3 |
1 |
6461 |
22.4 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
49 |
54 |
|
[CL]A:219 |
1 |
1 |
125 |
◊ |
[DO3]A:202 |
x,y,z |
1_555 |
4 |
1 |
515 |
21.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.000 |
50 |
55 |
|
[NA]A:220 |
1 |
1 |
125 |
◊ |
[CL]A:207 |
x,y,z |
1_555 |
1 |
1 |
125 |
20.3 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
56 |
|
A |
12 |
4 |
6461 |
f |
[GD]A:203 |
x,y,z-1 |
1_554 |
1 |
1 |
216 |
20.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.008 |
57 |
|
A |
6 |
2 |
6461 |
f |
[GD]A:205 |
x,y,z-1 |
1_554 |
1 |
1 |
216 |
11.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
15.9 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
52 |
58 |
|
A |
3 |
2 |
6461 |
x |
A |
x,y,z-1 |
1_554 |
1 |
1 |
6461 |
15.0 |
0.9 |
0.887 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
[NA]A:221 |
1 |
1 |
125 |
f |
[CL]A:209 |
x,y,z |
1_555 |
1 |
1 |
125 |
14.6 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.015 |
54 |
60 |
|
[CL]A:214 |
1 |
1 |
125 |
◊ |
A |
y,x,-z+1 |
6_556 |
2 |
2 |
6461 |
13.9 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.007 |
55 |
61 |
|
A |
1 |
1 |
6461 |
◊ |
[DO3]A:206 |
-y+1/2,x+1/2,z-1/4 |
2_554 |
1 |
1 |
513 |
13.2 |
0.5 |
0.653 |
0 |
0 |
0 |
0.000 |
56 |
62 |
|
[GD]A:203 |
1 |
1 |
216 |
◊ |
[GD]A:201 |
x,y,z |
1_555 |
1 |
1 |
216 |
12.5 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.000 |
57 |
63 |
|
[GD]A:201 |
1 |
1 |
216 |
◊ |
A |
-y+1/2,x+1/2,z+3/4 |
2_555 |
6 |
3 |
6461 |
12.4 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
64 |
|
[CL]A:213 |
1 |
1 |
125 |
f |
[CL]A:211 |
y,x,-z+1 |
6_556 |
1 |
1 |
125 |
11.2 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.012 |
59 |
65 |
|
[NA]A:222 |
1 |
1 |
125 |
◊ |
[CL]A:214 |
x,y,z |
1_555 |
1 |
1 |
125 |
11.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.011 |
60 |
66 |
|
[GD]A:205 |
1 |
1 |
216 |
◊ |
[GD]A:201 |
x,y,z |
1_555 |
1 |
1 |
216 |
10.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
61 |
67 |
|
[CL]A:219 |
1 |
1 |
125 |
f |
[GD]A:203 |
x,y,z |
1_555 |
1 |
1 |
216 |
10.3 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.009 |
62 |
68 |
|
[GD]A:203 |
1 |
1 |
216 |
◊ |
A |
-y+1/2,x+1/2,z+3/4 |
2_555 |
7 |
3 |
6461 |
10.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.000 |
63 |
69 |
|
[CL]A:219 |
1 |
1 |
125 |
f |
[GD]A:205 |
x,y,z |
1_555 |
1 |
1 |
216 |
7.0 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.006 |
64 |
70 |
|
[CL]A:219 |
1 |
1 |
125 |
◊ |
[GD]A:201 |
x,y,z |
1_555 |
1 |
1 |
216 |
6.3 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.000 |
65 |
71 |
|
A |
1 |
1 |
6461 |
◊ |
[DO3]A:202 |
x,y,z-1 |
1_554 |
2 |
1 |
515 |
4.7 |
0.2 |
0.459 |
0 |
0 |
0 |
0.000 |
66 |
72 |
|
A |
3 |
2 |
6461 |
x |
A |
x-1/2,-y+1/2,-z+5/4 |
5_456 |
3 |
2 |
6461 |
4.6 |
0.1 |
0.591 |
0 |
0 |
0 |
0.000 |
67 |
73 |
|
[CL]A:217 |
1 |
1 |
125 |
◊ |
[CL]A:213 |
y,x,-z+1 |
6_556 |
1 |
1 |
125 |
4.3 |
-0.9 |
0.000 |
0 |
0 |
0 |
0.004 |
68 |
74 |
|
[DO3]A:204 |
3 |
1 |
513 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6461 |
4.0 |
0.0 |
0.370 |
0 |
0 |
0 |
0.000 |
69 |
75 |
|
[GD]A:205 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6461 |
3.0 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
70 |
76 |
|
[NA]A:222 |
1 |
1 |
125 |
◊ |
[CL]A:209 |
x,y,z |
1_555 |
1 |
1 |
125 |
1.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.002 |
71 |
77 |
|
[GD]A:205 |
1 |
1 |
216 |
◊ |
A |
-y+1/2,x+1/2,z+3/4 |
2_555 |
1 |
1 |
6461 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
72 |
78 |
|
[CL]A:210 |
1 |
1 |
125 |
◊ |
A |
-y,-x,-z+1/2 |
8_555 |
1 |
1 |
6461 |
0.5 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
73 |
79 |
|
[NA]A:220 |
1 |
1 |
125 |
f |
[CL]A:215 |
x,y,z |
1_555 |
1 |
1 |
125 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
|