## |
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 |
|
C |
50 |
16 |
9188 |
x |
A |
y,x,-z+1 |
7_556 |
52 |
16 |
9058 |
461.4 |
-5.2 |
0.334 |
4 |
0 |
0 |
0.000 |
2 |
|
B |
30 |
9 |
9190 |
x |
B |
-y+3/2,x+1/2,z+1/4 |
3_655 |
35 |
11 |
9190 |
311.1 |
-2.8 |
0.721 |
4 |
0 |
0 |
0.000 |
Average: |
386.3 |
-4.0 |
0.527 |
4 |
0 |
0 |
0.000 |
2 |
3 |
|
A |
44 |
11 |
9058 |
◊ |
C |
-y+1/2,x+1/2,z+1/4 |
3_555 |
44 |
13 |
9188 |
391.2 |
-4.2 |
0.390 |
4 |
0 |
0 |
0.000 |
3 |
4 |
|
C |
34 |
10 |
9188 |
◊ |
A |
x,y,z |
1_555 |
50 |
13 |
9058 |
384.0 |
1.7 |
0.861 |
6 |
0 |
0 |
0.000 |
4 |
5 |
|
C |
41 |
18 |
9188 |
◊ |
C |
y,x,-z+1 |
7_556 |
41 |
18 |
9188 |
346.4 |
-3.1 |
0.449 |
4 |
0 |
0 |
0.000 |
5 |
6 |
|
C |
23 |
8 |
9188 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
23 |
8 |
9188 |
215.7 |
-1.5 |
0.516 |
0 |
2 |
0 |
0.000 |
6 |
7 |
|
[CAQ]A:180 |
8 |
1 |
246 |
f |
A |
x,y,z |
1_555 |
30 |
9 |
9058 |
148.7 |
3.9 |
0.560 |
0 |
0 |
0 |
0.000 |
7 |
8 |
|
A |
23 |
10 |
9058 |
◊ |
B |
x-1/2,-y+3/2,-z+3/4 |
6_465 |
19 |
10 |
9190 |
141.2 |
-2.2 |
0.573 |
0 |
0 |
0 |
0.000 |
8 |
9 |
|
[CAQ]C:180 |
8 |
1 |
244 |
f |
C |
x,y,z |
1_555 |
30 |
9 |
9188 |
140.8 |
4.1 |
0.562 |
0 |
0 |
0 |
0.000 |
9 |
10 |
|
[GOL]C:186 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
23 |
11 |
9188 |
133.8 |
-0.5 |
0.554 |
5 |
0 |
0 |
0.005 |
10 |
11 |
|
[GOL]C:187 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
9188 |
105.9 |
-0.9 |
0.475 |
4 |
0 |
0 |
0.005 |
11 |
12 |
|
[GOL]C:189 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
9188 |
103.6 |
0.2 |
0.663 |
5 |
0 |
0 |
0.004 |
12 |
13 |
|
B |
18 |
7 |
9190 |
◊ |
A |
-y+1,-x+1,-z+1/2 |
8_665 |
11 |
4 |
9058 |
102.0 |
-0.3 |
0.790 |
0 |
0 |
0 |
0.000 |
13 |
14 |
|
[GOL]C:188 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
15 |
5 |
9188 |
89.5 |
-1.4 |
0.392 |
0 |
0 |
0 |
0.003 |
14 |
15 |
|
[CL]B:180 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
9190 |
86.9 |
-11.0 |
0.000 |
0 |
0 |
0 |
0.037 |
16 |
|
[CL]A:183 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
13 |
10 |
9058 |
75.1 |
-12.3 |
0.000 |
0 |
0 |
0 |
0.037 |
Average: |
81.0 |
-11.6 |
0.000 |
0 |
0 |
0 |
0.037 |
15 |
17 |
|
[FE]C:179 |
1 |
1 |
137 |
f |
C |
x,y,z |
1_555 |
12 |
6 |
9188 |
84.1 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.026 |
18 |
|
[FE]A:179 |
1 |
1 |
137 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
9058 |
78.8 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.026 |
19 |
|
[FE]B:179 |
1 |
1 |
137 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
9190 |
64.5 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.026 |
Average: |
75.8 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.026 |
16 |
20 |
|
[GOL]A:184 |
4 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
13 |
5 |
9058 |
83.2 |
1.0 |
0.781 |
5 |
0 |
0 |
0.002 |
17 |
21 |
|
[GOL]C:191 |
5 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
16 |
7 |
9188 |
78.2 |
-0.6 |
0.505 |
0 |
0 |
0 |
0.001 |
18 |
22 |
|
[GOL]C:190 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
9188 |
76.6 |
0.5 |
0.672 |
2 |
0 |
0 |
0.000 |
19 |
23 |
|
[GOL]C:3731 |
5 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
9188 |
75.4 |
-0.6 |
0.491 |
2 |
0 |
0 |
0.003 |
20 |
24 |
|
[CL]C:192 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
14 |
7 |
9188 |
73.3 |
-9.2 |
0.000 |
0 |
0 |
0 |
0.018 |
25 |
|
[CL]A:188 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
9058 |
69.7 |
-8.7 |
0.000 |
0 |
0 |
0 |
0.018 |
Average: |
71.5 |
-8.9 |
0.000 |
0 |
0 |
0 |
0.018 |
21 |
26 |
|
[GOL]A:186 |
5 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
9 |
4 |
9058 |
73.3 |
-0.3 |
0.547 |
4 |
0 |
0 |
0.003 |
22 |
27 |
|
[CL]B:181 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
9190 |
67.7 |
-9.9 |
0.000 |
0 |
0 |
0 |
0.034 |
23 |
28 |
|
[NA]C:184 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
9188 |
63.0 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.013 |
29 |
|
[NA]A:182 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9058 |
41.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.013 |
Average: |
52.0 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.013 |
24 |
30 |
|
[GOL]C:185 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
11 |
4 |
9188 |
60.8 |
0.5 |
0.688 |
2 |
0 |
0 |
0.000 |
25 |
31 |
|
[GOL]A:185 |
4 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
5 |
2 |
9058 |
57.7 |
-0.5 |
0.448 |
1 |
0 |
0 |
0.002 |
26 |
32 |
|
[CL]A:189 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
9058 |
57.5 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.012 |
27 |
33 |
|
[GOL]C:191 |
6 |
1 |
220 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
7 |
2 |
9190 |
55.6 |
-0.4 |
0.595 |
0 |
0 |
0 |
0.000 |
28 |
34 |
|
[GOL]C:187 |
5 |
1 |
219 |
◊ |
C |
y,x,-z+1 |
7_556 |
11 |
5 |
9188 |
55.4 |
-0.1 |
0.606 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
[NA]C:182 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
5 |
9188 |
47.7 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.011 |
30 |
36 |
|
[NA]C:183 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
9188 |
40.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.009 |
31 |
37 |
|
[CL]A:190 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
9058 |
39.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.008 |
32 |
38 |
|
[NA]A:181 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
9058 |
39.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.008 |
33 |
39 |
|
[CAQ]C:180 |
4 |
1 |
244 |
cf |
[FE]C:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
37.7 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.008 |
34 |
40 |
|
[CAQ]A:180 |
3 |
1 |
246 |
f |
[FE]A:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
36.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.005 |
35 |
41 |
|
[NA]C:181 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
9188 |
35.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.008 |
36 |
42 |
|
[GOL]A:184 |
3 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
9188 |
35.0 |
0.7 |
0.811 |
3 |
0 |
0 |
0.000 |
37 |
43 |
|
[CL]A:187 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
4 |
2 |
9058 |
32.8 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.006 |
38 |
44 |
|
[NA]C:181 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
9058 |
30.1 |
-2.8 |
0.000 |
0 |
0 |
0 |
0.000 |
39 |
45 |
|
[GOL]C:188 |
3 |
1 |
216 |
f |
[CAQ]C:180 |
x,y,z |
1_555 |
3 |
1 |
244 |
30.0 |
0.4 |
0.299 |
1 |
0 |
0 |
0.000 |
40 |
46 |
|
[NA]C:183 |
1 |
1 |
125 |
◊ |
C |
-y+1,-x+1,-z+1/2 |
8_665 |
4 |
1 |
9188 |
29.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.000 |
41 |
47 |
|
[NA]C:182 |
1 |
1 |
125 |
◊ |
A |
y,x,-z+1 |
7_556 |
2 |
1 |
9058 |
27.9 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.000 |
42 |
48 |
|
C |
1 |
1 |
9188 |
◊ |
B |
-y+1,-x+1,-z+1/2 |
8_665 |
3 |
2 |
9190 |
23.7 |
-0.7 |
0.179 |
0 |
0 |
0 |
0.000 |
43 |
49 |
|
B |
2 |
1 |
9190 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
9058 |
18.8 |
0.1 |
0.512 |
0 |
0 |
0 |
0.000 |
44 |
50 |
|
[CL]A:189 |
1 |
1 |
125 |
f |
[CAQ]A:180 |
x,y,z |
1_555 |
5 |
1 |
246 |
16.4 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.003 |
45 |
51 |
|
[GOL]C:189 |
1 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
9058 |
14.0 |
-0.1 |
0.398 |
0 |
0 |
0 |
0.000 |
46 |
52 |
|
[GOL]C:187 |
1 |
1 |
219 |
◊ |
[GOL]C:186 |
y,x,-z+1 |
7_556 |
1 |
1 |
221 |
8.6 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
47 |
53 |
|
[CL]C:192 |
1 |
1 |
125 |
f |
[FE]C:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
7.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.003 |
48 |
54 |
|
[CL]A:188 |
1 |
1 |
125 |
f |
[FE]A:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
5.0 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.002 |
49 |
55 |
|
[CL]B:181 |
1 |
1 |
125 |
f |
[FE]B:179 |
x,y,z |
1_555 |
1 |
1 |
137 |
4.1 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.003 |
50 |
56 |
|
[GOL]C:188 |
2 |
1 |
216 |
f |
[CL]C:192 |
x,y,z |
1_555 |
1 |
1 |
125 |
3.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.000 |
51 |
57 |
|
[GOL]C:189 |
1 |
1 |
220 |
◊ |
[GOL]A:184 |
x,y,z |
1_555 |
1 |
1 |
219 |
1.0 |
-0.0 |
0.500 |
0 |
0 |
0 |
0.000 |
52 |
58 |
|
A |
1 |
1 |
9058 |
◊ |
[GOL]C:185 |
-y+1/2,x+1/2,z+1/4 |
3_555 |
1 |
1 |
219 |
0.5 |
-0.0 |
0.536 |
0 |
0 |
0 |
0.000 |
53 |
59 |
|
[CL]A:190 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
9188 |
0.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|