## |
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 |
98 |
29 |
15587 |
◊ |
A |
x,y,z |
1_555 |
91 |
28 |
15383 |
910.1 |
-9.8 |
0.173 |
5 |
0 |
0 |
0.000 |
2 |
2 |
|
A |
78 |
22 |
15383 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
67 |
20 |
15546 |
691.1 |
-4.7 |
0.416 |
9 |
3 |
0 |
0.007 |
3 |
3 |
|
B |
71 |
25 |
15546 |
◊ |
A |
x,y,z |
1_555 |
77 |
25 |
15383 |
677.9 |
-10.7 |
0.069 |
4 |
0 |
0 |
0.000 |
4 |
|
C |
64 |
23 |
15587 |
◊ |
B |
x,y,z |
1_555 |
69 |
20 |
15546 |
640.3 |
-8.9 |
0.103 |
5 |
1 |
0 |
0.000 |
Average: |
659.1 |
-9.8 |
0.086 |
5 |
1 |
0 |
0.000 |
4 |
5 |
|
C |
64 |
20 |
15587 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
61 |
17 |
15383 |
582.3 |
-4.1 |
0.424 |
8 |
4 |
0 |
0.006 |
5 |
6 |
|
A |
54 |
15 |
15383 |
◊ |
A |
-x,y,-z+1 |
2_556 |
54 |
15 |
15383 |
475.1 |
-4.1 |
0.378 |
6 |
0 |
0 |
0.008 |
7 |
|
C |
54 |
15 |
15587 |
◊ |
B |
-x,y,-z+1 |
2_556 |
53 |
15 |
15546 |
442.2 |
-4.4 |
0.353 |
7 |
0 |
0 |
0.008 |
Average: |
458.7 |
-4.3 |
0.366 |
7 |
0 |
0 |
0.008 |
6 |
8 |
|
C |
34 |
12 |
15587 |
◊ |
B |
-x,y,-z |
2_555 |
34 |
12 |
15546 |
334.7 |
-3.0 |
0.351 |
3 |
0 |
0 |
0.000 |
9 |
|
A |
22 |
10 |
15383 |
◊ |
A |
-x,y,-z |
2_555 |
22 |
10 |
15383 |
211.0 |
-3.3 |
0.190 |
0 |
0 |
0 |
0.000 |
Average: |
272.9 |
-3.2 |
0.270 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
C |
31 |
7 |
15587 |
◊ |
B |
x-1,y,z |
1_455 |
26 |
8 |
15546 |
260.4 |
-3.0 |
0.285 |
1 |
0 |
0 |
0.003 |
8 |
11 |
|
[HZC]B:402 |
11 |
1 |
354 |
f |
B |
x,y,z |
1_555 |
48 |
19 |
15546 |
251.0 |
6.6 |
0.464 |
1 |
0 |
0 |
0.000 |
12 |
|
[HZC]C:402 |
11 |
1 |
354 |
f |
C |
x,y,z |
1_555 |
50 |
20 |
15587 |
248.9 |
6.7 |
0.485 |
1 |
0 |
0 |
0.000 |
Average: |
250.0 |
6.6 |
0.474 |
1 |
0 |
0 |
0.000 |
9 |
13 |
|
[HZC]C:401 |
12 |
1 |
352 |
◊ |
C |
x,y,z |
1_555 |
34 |
11 |
15587 |
196.4 |
6.5 |
0.395 |
0 |
0 |
0 |
0.000 |
10 |
14 |
|
[HZC]A:401 |
12 |
1 |
358 |
◊ |
A |
x,y,z |
1_555 |
32 |
11 |
15383 |
195.9 |
6.2 |
0.357 |
0 |
0 |
0 |
0.000 |
15 |
|
[HZC]B:401 |
12 |
1 |
356 |
◊ |
B |
x,y,z |
1_555 |
36 |
11 |
15546 |
195.6 |
6.6 |
0.395 |
0 |
0 |
0 |
0.000 |
Average: |
195.7 |
6.4 |
0.376 |
0 |
0 |
0 |
0.000 |
11 |
16 |
|
[GOL]B:406 |
6 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
33 |
11 |
15546 |
134.8 |
-0.9 |
0.543 |
4 |
0 |
0 |
0.006 |
12 |
17 |
|
[HZC]B:403 |
9 |
1 |
358 |
f |
B |
x,y,z |
1_555 |
21 |
10 |
15546 |
127.1 |
2.4 |
0.175 |
1 |
0 |
0 |
0.000 |
18 |
|
[HZC]C:403 |
9 |
1 |
358 |
f |
C |
x,y,z |
1_555 |
24 |
10 |
15587 |
123.5 |
2.2 |
0.208 |
1 |
0 |
0 |
0.000 |
Average: |
125.3 |
2.3 |
0.192 |
1 |
0 |
0 |
0.000 |
13 |
19 |
|
[GOL]C:406 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
28 |
10 |
15587 |
124.1 |
-0.9 |
0.552 |
4 |
0 |
0 |
0.008 |
14 |
20 |
|
[GOL]A:404 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
17 |
9 |
15383 |
123.6 |
0.6 |
0.734 |
3 |
0 |
0 |
0.004 |
15 |
21 |
|
[GOL]B:405 |
6 |
1 |
222 |
f |
B |
x,y,z |
1_555 |
16 |
7 |
15546 |
118.8 |
-0.1 |
0.562 |
3 |
0 |
0 |
0.003 |
16 |
22 |
|
[GOL]C:407 |
5 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
18 |
6 |
15587 |
109.0 |
-0.1 |
0.603 |
3 |
0 |
0 |
0.004 |
17 |
23 |
|
[SO4]B:409 |
5 |
1 |
187 |
f |
B |
x,y,z |
1_555 |
19 |
10 |
15546 |
104.0 |
-16.0 |
0.707 |
5 |
0 |
0 |
0.052 |
24 |
|
[SO4]C:411 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
18 |
9 |
15587 |
103.3 |
-15.6 |
0.709 |
5 |
0 |
0 |
0.052 |
Average: |
103.7 |
-15.8 |
0.708 |
5 |
0 |
0 |
0.052 |
18 |
25 |
|
[GOL]C:408 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
14 |
4 |
15587 |
103.6 |
0.0 |
0.590 |
2 |
0 |
0 |
0.003 |
19 |
26 |
|
[HZC]B:403 |
9 |
1 |
358 |
◊ |
C |
-x,y,-z |
2_555 |
18 |
7 |
15587 |
102.9 |
3.4 |
0.302 |
0 |
0 |
0 |
0.000 |
27 |
|
[HZC]C:403 |
9 |
1 |
358 |
◊ |
B |
-x,y,-z |
2_555 |
18 |
7 |
15546 |
94.5 |
2.9 |
0.316 |
0 |
0 |
0 |
0.000 |
Average: |
98.7 |
3.2 |
0.309 |
0 |
0 |
0 |
0.000 |
20 |
28 |
|
[GOL]C:404 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
14 |
8 |
15587 |
98.8 |
-1.1 |
0.394 |
1 |
0 |
0 |
0.004 |
21 |
29 |
|
[GOL]C:405 |
5 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
15587 |
95.2 |
-0.2 |
0.574 |
3 |
0 |
0 |
0.004 |
22 |
30 |
|
[GOL]A:402 |
5 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
15383 |
94.1 |
-1.2 |
0.394 |
2 |
0 |
0 |
0.013 |
23 |
31 |
|
[GOL]A:403 |
6 |
1 |
222 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
15383 |
92.4 |
0.3 |
0.652 |
4 |
0 |
0 |
0.010 |
24 |
32 |
|
[GOL]B:404 |
5 |
1 |
221 |
f |
B |
x,y,z |
1_555 |
12 |
4 |
15546 |
90.4 |
-0.2 |
0.553 |
3 |
0 |
0 |
0.003 |
25 |
33 |
|
[GOL]B:410 |
6 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
15546 |
88.8 |
0.2 |
0.703 |
5 |
0 |
0 |
0.004 |
26 |
34 |
|
[GOL]C:404 |
5 |
1 |
219 |
◊ |
A |
x-1/2,y-1/2,z |
3_445 |
10 |
6 |
15383 |
84.9 |
-0.0 |
0.597 |
2 |
0 |
0 |
0.000 |
27 |
35 |
|
[GOL]A:402 |
5 |
1 |
220 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
11 |
6 |
15546 |
84.8 |
0.1 |
0.644 |
4 |
0 |
0 |
0.001 |
28 |
36 |
|
[GOL]A:403 |
5 |
1 |
222 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
15546 |
82.3 |
-1.0 |
0.418 |
0 |
0 |
0 |
0.000 |
29 |
37 |
|
[GOL]B:410 |
6 |
1 |
214 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
15587 |
79.7 |
-1.1 |
0.462 |
1 |
0 |
0 |
0.000 |
30 |
38 |
|
[SO4]B:407 |
5 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
15 |
7 |
15546 |
79.1 |
-11.4 |
0.797 |
4 |
0 |
0 |
0.028 |
31 |
39 |
|
[SO4]C:410 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
15587 |
79.0 |
-10.5 |
0.871 |
1 |
0 |
0 |
0.032 |
32 |
40 |
|
[SO4]B:408 |
5 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
15546 |
78.7 |
-10.5 |
0.870 |
1 |
0 |
0 |
0.023 |
33 |
41 |
|
[SO4]A:405 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
15383 |
78.7 |
-10.5 |
0.870 |
2 |
0 |
0 |
0.072 |
34 |
42 |
|
[GOL]C:409 |
5 |
1 |
219 |
◊ |
B |
-x,y,-z+1 |
2_556 |
7 |
3 |
15546 |
70.8 |
0.5 |
0.726 |
2 |
0 |
0 |
0.000 |
35 |
43 |
|
[HZC]C:403 |
8 |
1 |
358 |
◊ |
[HZC]B:403 |
-x,y,-z |
2_555 |
8 |
1 |
358 |
58.6 |
3.9 |
0.057 |
0 |
0 |
0 |
0.000 |
36 |
44 |
|
[GOL]C:405 |
4 |
1 |
219 |
◊ |
B |
-x,y,-z |
2_555 |
8 |
2 |
15546 |
48.0 |
-0.1 |
0.542 |
0 |
0 |
0 |
0.000 |
37 |
45 |
|
[GOL]C:409 |
3 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
7 |
1 |
15587 |
47.0 |
-0.0 |
0.605 |
1 |
0 |
0 |
0.001 |
38 |
46 |
|
[SO4]B:409 |
4 |
1 |
187 |
f |
[HZC]B:403 |
x,y,z |
1_555 |
4 |
1 |
358 |
40.7 |
-4.4 |
0.205 |
2 |
0 |
0 |
0.016 |
47 |
|
[SO4]C:411 |
4 |
1 |
186 |
f |
[HZC]C:403 |
x,y,z |
1_555 |
4 |
1 |
358 |
40.4 |
-4.6 |
0.214 |
2 |
0 |
0 |
0.016 |
Average: |
40.5 |
-4.5 |
0.209 |
2 |
0 |
0 |
0.016 |
39 |
48 |
|
[GOL]C:405 |
4 |
1 |
219 |
f |
[HZC]C:403 |
x,y,z |
1_555 |
5 |
1 |
358 |
37.6 |
0.6 |
0.217 |
0 |
0 |
0 |
0.000 |
40 |
49 |
|
[GOL]C:406 |
4 |
1 |
219 |
◊ |
[GOL]B:410 |
x,y,z |
1_555 |
2 |
1 |
214 |
32.2 |
-0.1 |
0.614 |
0 |
0 |
0 |
0.000 |
41 |
50 |
|
[GOL]B:404 |
2 |
1 |
221 |
◊ |
C |
-x,y,-z+1 |
2_556 |
4 |
2 |
15587 |
22.1 |
-0.1 |
0.488 |
0 |
0 |
0 |
0.000 |
42 |
51 |
|
[GOL]B:406 |
3 |
1 |
220 |
◊ |
[GOL]A:403 |
x,y,z |
1_555 |
2 |
1 |
222 |
20.8 |
0.0 |
0.564 |
0 |
0 |
0 |
0.000 |
43 |
52 |
|
[GOL]C:408 |
2 |
1 |
219 |
◊ |
B |
-x,y,-z+1 |
2_556 |
3 |
1 |
15546 |
18.0 |
-0.2 |
0.426 |
0 |
0 |
0 |
0.000 |
44 |
53 |
|
[GOL]B:406 |
3 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15383 |
17.9 |
0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
45 |
54 |
|
[GOL]C:406 |
4 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15546 |
17.5 |
0.1 |
0.694 |
0 |
0 |
0 |
0.000 |
46 |
55 |
|
C |
2 |
1 |
15587 |
◊ |
C |
-x,y,-z+1 |
2_556 |
2 |
1 |
15587 |
15.1 |
-0.5 |
0.253 |
0 |
0 |
0 |
0.000 |
47 |
56 |
|
[HZC]C:401 |
2 |
1 |
352 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
15546 |
14.5 |
0.3 |
0.246 |
0 |
0 |
0 |
0.000 |
48 |
57 |
|
B |
2 |
1 |
15546 |
◊ |
A |
-x,y,-z+1 |
2_556 |
2 |
1 |
15383 |
10.6 |
-0.3 |
0.323 |
0 |
0 |
0 |
0.000 |
49 |
58 |
|
[HZC]B:401 |
1 |
1 |
356 |
f |
C |
x,y,z |
1_555 |
1 |
1 |
15587 |
8.7 |
-0.1 |
0.194 |
0 |
0 |
0 |
0.000 |
50 |
59 |
|
[HZC]C:401 |
1 |
1 |
352 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
15383 |
8.7 |
-0.1 |
0.193 |
0 |
0 |
0 |
0.000 |
51 |
60 |
|
[HZC]A:401 |
1 |
1 |
358 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
15546 |
8.7 |
-0.1 |
0.195 |
0 |
0 |
0 |
0.000 |
52 |
61 |
|
[SO4]C:411 |
1 |
1 |
186 |
◊ |
[HZC]B:403 |
-x,y,-z |
2_555 |
2 |
1 |
358 |
3.7 |
-0.3 |
0.354 |
0 |
0 |
0 |
0.000 |
62 |
|
[SO4]B:409 |
1 |
1 |
187 |
◊ |
[HZC]C:403 |
-x,y,-z |
2_555 |
1 |
1 |
358 |
2.2 |
-0.2 |
0.408 |
0 |
0 |
0 |
0.000 |
Average: |
2.9 |
-0.3 |
0.381 |
0 |
0 |
0 |
0.000 |
53 |
63 |
|
[SO4]B:407 |
1 |
1 |
182 |
◊ |
[GOL]C:408 |
-x,y,-z+1 |
2_556 |
1 |
1 |
219 |
3.4 |
-0.4 |
0.707 |
0 |
0 |
0 |
0.000 |
54 |
64 |
|
[SO4]B:409 |
1 |
1 |
187 |
◊ |
C |
-x,y,-z |
2_555 |
1 |
1 |
15587 |
2.2 |
-0.3 |
0.626 |
0 |
0 |
0 |
0.000 |
65 |
|
[SO4]C:411 |
1 |
1 |
186 |
◊ |
B |
-x,y,-z |
2_555 |
1 |
1 |
15546 |
1.2 |
-0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
Average: |
1.7 |
-0.2 |
0.649 |
0 |
0 |
0 |
0.000 |
55 |
66 |
|
B |
1 |
1 |
15546 |
◊ |
A |
-x,y,-z |
2_555 |
1 |
1 |
15383 |
1.4 |
0.0 |
0.726 |
0 |
0 |
0 |
0.000 |
56 |
67 |
|
[HZC]B:401 |
1 |
1 |
356 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
15383 |
0.3 |
0.0 |
0.310 |
0 |
0 |
0 |
0.000 |
|