## |
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 |
192 |
56 |
45811 |
◊ |
A |
x,y,z |
1_555 |
197 |
54 |
45616 |
1704.9 |
-5.8 |
0.471 |
7 |
4 |
0 |
0.000 |
2 |
2 |
|
B |
138 |
30 |
5145 |
◊ |
A |
x,y,z |
1_555 |
182 |
54 |
45616 |
1576.9 |
-6.5 |
0.323 |
14 |
9 |
0 |
0.290 |
3 |
|
D |
140 |
31 |
5107 |
◊ |
C |
x,y,z |
1_555 |
178 |
56 |
45811 |
1573.2 |
-8.2 |
0.244 |
15 |
10 |
0 |
0.290 |
Average: |
1575.0 |
-7.3 |
0.284 |
15 |
10 |
0 |
0.290 |
3 |
4 |
|
E |
88 |
21 |
5028 |
◊ |
C |
x,y,z |
1_555 |
100 |
34 |
45811 |
888.6 |
-7.4 |
0.198 |
4 |
3 |
0 |
0.138 |
4 |
5 |
|
C |
67 |
20 |
45811 |
◊ |
A |
-x,-y+1/2,z-1/2 |
4_554 |
64 |
21 |
45616 |
629.1 |
-8.4 |
0.061 |
2 |
1 |
0 |
0.000 |
5 |
6 |
|
C |
37 |
11 |
45811 |
◊ |
E |
x-1,y,z |
1_455 |
38 |
11 |
5028 |
341.1 |
1.0 |
0.668 |
0 |
0 |
0 |
0.000 |
6 |
7 |
|
[AMP]B:101 |
22 |
1 |
498 |
◊ |
A |
x,y,z |
1_555 |
47 |
21 |
45616 |
334.2 |
-0.8 |
0.650 |
2 |
0 |
0 |
0.033 |
8 |
|
[AMP]D:101 |
22 |
1 |
499 |
◊ |
C |
x,y,z |
1_555 |
44 |
20 |
45811 |
312.1 |
-1.0 |
0.629 |
2 |
0 |
0 |
0.033 |
Average: |
323.1 |
-0.9 |
0.640 |
2 |
0 |
0 |
0.033 |
7 |
9 |
|
A |
32 |
13 |
45616 |
◊ |
C |
-x-1,y-1/2,-z-1/2 |
3_444 |
35 |
13 |
45811 |
287.8 |
5.1 |
0.917 |
2 |
2 |
0 |
0.000 |
8 |
10 |
|
A |
27 |
7 |
45616 |
◊ |
C |
-x,y-1/2,-z-1/2 |
3_544 |
32 |
10 |
45811 |
255.5 |
1.1 |
0.669 |
2 |
1 |
0 |
0.000 |
9 |
11 |
|
C |
25 |
8 |
45811 |
◊ |
A |
-x-1,-y+1/2,z-1/2 |
4_454 |
29 |
10 |
45616 |
210.0 |
-2.1 |
0.345 |
0 |
0 |
0 |
0.000 |
10 |
12 |
|
[GOL]A:1111 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
45616 |
148.2 |
0.3 |
0.643 |
0 |
0 |
0 |
0.000 |
11 |
13 |
|
[GOL]A:1103 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
31 |
13 |
45616 |
146.7 |
-0.6 |
0.556 |
3 |
0 |
0 |
0.032 |
12 |
14 |
|
[GOL]C:1102 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
30 |
13 |
45811 |
146.7 |
-0.5 |
0.554 |
3 |
0 |
0 |
0.033 |
13 |
15 |
|
[GOL]A:1102 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
26 |
14 |
45616 |
146.5 |
-0.5 |
0.523 |
2 |
0 |
0 |
0.023 |
14 |
16 |
|
[GOL]C:1103 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
27 |
14 |
45811 |
144.9 |
-0.8 |
0.512 |
0 |
0 |
0 |
0.015 |
15 |
17 |
|
[GOL]C:1109 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
24 |
9 |
45811 |
139.7 |
2.7 |
0.678 |
2 |
0 |
0 |
0.000 |
16 |
18 |
|
[GOL]A:1108 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
28 |
10 |
45616 |
139.5 |
2.0 |
0.667 |
2 |
0 |
0 |
0.000 |
17 |
19 |
|
C |
14 |
6 |
45811 |
◊ |
A |
x-1,y,z |
1_455 |
22 |
9 |
45616 |
134.8 |
0.6 |
0.693 |
1 |
2 |
0 |
0.000 |
18 |
20 |
|
[GOL]A:1117 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
19 |
6 |
45616 |
132.7 |
-0.9 |
0.429 |
1 |
0 |
0 |
0.022 |
19 |
21 |
|
[GOL]C:1113 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
22 |
10 |
45811 |
129.8 |
0.5 |
0.583 |
1 |
0 |
0 |
0.000 |
20 |
22 |
|
[GOL]C:1112 |
6 |
1 |
217 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
45811 |
128.4 |
-1.0 |
0.464 |
0 |
0 |
0 |
0.018 |
21 |
23 |
|
[GOL]A:1104 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
45616 |
126.9 |
0.7 |
0.658 |
3 |
0 |
0 |
0.011 |
22 |
24 |
|
[GOL]C:1105 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
26 |
9 |
45811 |
124.5 |
-1.5 |
0.350 |
1 |
0 |
0 |
0.035 |
23 |
25 |
|
[GOL]A:1109 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
25 |
8 |
45616 |
123.4 |
-1.3 |
0.385 |
0 |
0 |
0 |
0.023 |
24 |
26 |
|
[GOL]A:1107 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
45616 |
123.2 |
-2.8 |
0.219 |
0 |
0 |
0 |
0.047 |
25 |
27 |
|
[GOL]A:1116 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
22 |
7 |
45616 |
120.6 |
-0.3 |
0.507 |
0 |
0 |
0 |
0.006 |
26 |
28 |
|
[GOL]A:1114 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
18 |
8 |
45616 |
119.8 |
-0.9 |
0.427 |
0 |
0 |
0 |
0.016 |
27 |
29 |
|
A |
14 |
3 |
45616 |
◊ |
A |
x,-y,-z |
2_555 |
14 |
3 |
45616 |
118.8 |
1.7 |
0.825 |
1 |
2 |
0 |
0.000 |
28 |
30 |
|
[GOL]A:1105 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
17 |
6 |
45616 |
115.6 |
-1.3 |
0.385 |
0 |
0 |
0 |
0.022 |
29 |
31 |
|
[GOL]C:1106 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
45811 |
114.5 |
0.0 |
0.615 |
2 |
0 |
0 |
0.015 |
30 |
32 |
|
[GOL]A:1110 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
13 |
6 |
45616 |
111.8 |
0.1 |
0.616 |
1 |
0 |
0 |
0.005 |
31 |
33 |
|
[GOL]C:1110 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
45811 |
111.3 |
0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
32 |
34 |
|
[GOL]C:1107 |
6 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
25 |
11 |
45811 |
110.3 |
0.4 |
0.631 |
2 |
0 |
0 |
0.008 |
33 |
35 |
|
[SO4]A:1101 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
17 |
11 |
45616 |
108.3 |
-13.3 |
0.946 |
3 |
0 |
0 |
0.247 |
34 |
36 |
|
[GOL]A:1106 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
45616 |
108.2 |
0.1 |
0.641 |
0 |
0 |
0 |
0.000 |
35 |
37 |
|
[SO4]C:1101 |
5 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
17 |
10 |
45811 |
104.9 |
-12.3 |
0.942 |
2 |
0 |
0 |
0.235 |
36 |
38 |
|
[GOL]A:1118 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
12 |
4 |
45811 |
99.9 |
-0.3 |
0.452 |
0 |
0 |
0 |
0.006 |
37 |
39 |
|
[GOL]A:1115 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
22 |
5 |
45616 |
96.7 |
-0.2 |
0.559 |
0 |
0 |
0 |
0.004 |
38 |
40 |
|
[GOL]A:1113 |
6 |
1 |
221 |
◊ |
A |
x,y,z |
1_555 |
13 |
5 |
45616 |
96.6 |
-0.3 |
0.412 |
1 |
0 |
0 |
0.000 |
39 |
41 |
|
[GOL]A:1112 |
5 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
45616 |
96.1 |
-0.9 |
0.402 |
0 |
0 |
0 |
0.015 |
40 |
42 |
|
E |
14 |
5 |
5028 |
◊ |
A |
-x,-y+1/2,z-1/2 |
4_554 |
10 |
3 |
45616 |
95.2 |
-0.7 |
0.402 |
0 |
0 |
0 |
0.000 |
41 |
43 |
|
[GOL]A:1113 |
5 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
14 |
5 |
45811 |
92.2 |
-1.5 |
0.298 |
0 |
0 |
0 |
0.026 |
42 |
44 |
|
[GOL]C:1104 |
6 |
1 |
219 |
f |
A |
-x,-y+1/2,z-1/2 |
4_554 |
11 |
5 |
45616 |
86.0 |
1.1 |
0.758 |
4 |
0 |
0 |
0.012 |
43 |
45 |
|
[GOL]C:1108 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
45811 |
83.3 |
-0.1 |
0.511 |
1 |
0 |
0 |
0.009 |
44 |
46 |
|
[GOL]C:1104 |
5 |
1 |
219 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
45811 |
82.6 |
-0.1 |
0.570 |
0 |
0 |
0 |
0.000 |
45 |
47 |
|
[GOL]C:1111 |
6 |
1 |
220 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
45811 |
77.8 |
1.0 |
0.769 |
2 |
0 |
0 |
0.000 |
46 |
48 |
|
[SO4]A:1119 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
45616 |
71.0 |
-9.8 |
0.700 |
1 |
0 |
0 |
0.173 |
47 |
49 |
|
[GOL]A:1118 |
5 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
45616 |
50.8 |
0.2 |
0.635 |
0 |
0 |
0 |
0.000 |
48 |
50 |
|
[AMP]D:101 |
7 |
1 |
499 |
◊ |
[GOL]C:1111 |
x,y,z |
1_555 |
5 |
1 |
220 |
50.0 |
0.8 |
0.717 |
0 |
0 |
0 |
0.000 |
49 |
51 |
|
[SO4]C:1114 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
45811 |
47.4 |
-4.8 |
0.947 |
2 |
0 |
0 |
0.101 |
50 |
52 |
|
[AMP]B:101 |
5 |
1 |
498 |
cf |
B |
x,y,z |
1_555 |
4 |
1 |
5145 |
46.5 |
-2.2 |
0.293 |
0 |
0 |
0 |
0.100 |
53 |
|
[AMP]D:101 |
5 |
1 |
499 |
cf |
D |
x,y,z |
1_555 |
3 |
1 |
5107 |
44.9 |
-2.0 |
0.261 |
0 |
0 |
0 |
0.100 |
Average: |
45.7 |
-2.1 |
0.277 |
0 |
0 |
0 |
0.100 |
51 |
54 |
|
[SO4]C:1114 |
4 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
5107 |
44.3 |
-5.9 |
0.708 |
0 |
0 |
0 |
0.104 |
52 |
55 |
|
[GOL]C:1112 |
3 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
45616 |
41.5 |
0.0 |
0.579 |
0 |
0 |
0 |
0.000 |
53 |
56 |
|
[GOL]C:1108 |
4 |
1 |
220 |
f |
[GOL]C:1107 |
x,y,z |
1_555 |
4 |
1 |
215 |
40.3 |
-0.0 |
0.529 |
0 |
0 |
0 |
0.000 |
54 |
57 |
|
[SO4]C:1114 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
5028 |
39.0 |
-3.9 |
0.929 |
0 |
0 |
0 |
0.056 |
55 |
58 |
|
[GOL]A:1117 |
3 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
4 |
1 |
45811 |
28.7 |
0.1 |
0.492 |
0 |
0 |
0 |
0.000 |
56 |
59 |
|
[AMP]B:101 |
3 |
1 |
498 |
◊ |
[SO4]A:1101 |
x,y,z |
1_555 |
3 |
1 |
185 |
24.0 |
-3.9 |
0.571 |
0 |
0 |
0 |
0.066 |
57 |
60 |
|
[GOL]C:1111 |
2 |
1 |
220 |
f |
[SO4]C:1101 |
x,y,z |
1_555 |
3 |
1 |
183 |
20.3 |
-1.9 |
0.863 |
0 |
0 |
0 |
0.033 |
58 |
61 |
|
[GOL]C:1110 |
1 |
1 |
222 |
f |
[GOL]A:1118 |
x,y,z |
1_555 |
3 |
1 |
219 |
19.9 |
0.2 |
0.507 |
0 |
0 |
0 |
0.000 |
59 |
62 |
|
[AMP]D:101 |
3 |
1 |
499 |
◊ |
[SO4]C:1101 |
x,y,z |
1_555 |
3 |
1 |
183 |
18.3 |
-3.2 |
0.602 |
0 |
0 |
0 |
0.056 |
60 |
63 |
|
E |
2 |
2 |
5028 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
5107 |
17.6 |
0.3 |
0.553 |
0 |
0 |
0 |
0.000 |
61 |
64 |
|
A |
2 |
1 |
45616 |
◊ |
D |
-x,y-1/2,-z-1/2 |
3_544 |
1 |
1 |
5107 |
6.5 |
0.2 |
0.742 |
0 |
0 |
0 |
0.000 |
|