| ## |
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 |
|
D |
266 |
66 |
20712 |
◊ |
C |
x,y,z |
1_555 |
271 |
65 |
21034 |
2670.0 |
-36.7 |
0.002 |
21 |
0 |
0 |
0.283 |
2 |
|
B |
260 |
66 |
20357 |
◊ |
A |
x,y,z |
1_555 |
262 |
65 |
20532 |
2600.8 |
-35.3 |
0.002 |
20 |
0 |
0 |
0.283 |
| Average: |
2635.4 |
-36.0 |
0.002 |
21 |
0 |
0 |
0.283 |
| 2 |
3 |
|
C |
83 |
28 |
21034 |
◊ |
A |
x,y,z |
1_555 |
85 |
27 |
20532 |
753.1 |
1.2 |
0.737 |
9 |
1 |
0 |
0.020 |
| 3 |
4 |
|
D |
86 |
25 |
20712 |
◊ |
B |
x,y,z |
1_555 |
82 |
25 |
20357 |
687.5 |
3.7 |
0.840 |
12 |
2 |
0 |
0.005 |
| 4 |
5 |
|
A |
68 |
16 |
20532 |
◊ |
C |
x-1/2,-y+1/2,-z |
4_455 |
71 |
20 |
21034 |
668.4 |
2.4 |
0.650 |
14 |
14 |
0 |
0.003 |
| 5 |
6 |
|
B |
66 |
16 |
20357 |
◊ |
D |
-x+2,y-1/2,-z+1/2 |
3_745 |
66 |
19 |
20712 |
627.9 |
3.2 |
0.746 |
12 |
13 |
0 |
0.000 |
| 6 |
7 |
|
[UGA]C:501 |
36 |
1 |
695 |
f |
C |
x,y,z |
1_555 |
73 |
26 |
21034 |
506.7 |
-9.7 |
0.365 |
11 |
0 |
0 |
0.197 |
8 |
|
[UGA]B:501 |
36 |
1 |
687 |
f |
B |
x,y,z |
1_555 |
71 |
27 |
20357 |
498.4 |
-9.9 |
0.358 |
12 |
0 |
0 |
0.197 |
9 |
|
[UGA]A:501 |
37 |
1 |
697 |
f |
A |
x,y,z |
1_555 |
72 |
27 |
20532 |
492.0 |
-9.6 |
0.359 |
12 |
0 |
0 |
0.197 |
10 |
|
[UGA]D:501 |
37 |
1 |
690 |
f |
D |
x,y,z |
1_555 |
73 |
27 |
20712 |
489.9 |
-9.2 |
0.375 |
13 |
0 |
0 |
0.197 |
| Average: |
496.8 |
-9.6 |
0.364 |
12 |
0 |
0 |
0.197 |
| 7 |
11 |
|
C |
41 |
14 |
21034 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
38 |
11 |
20712 |
370.8 |
2.7 |
0.812 |
2 |
2 |
0 |
0.000 |
| 8 |
12 |
|
A |
40 |
12 |
20532 |
◊ |
D |
x-1,y,z |
1_455 |
36 |
14 |
20712 |
355.4 |
-3.1 |
0.293 |
0 |
0 |
0 |
0.000 |
| 9 |
13 |
|
B |
25 |
8 |
20357 |
◊ |
C |
x,y-1,z |
1_545 |
23 |
6 |
21034 |
261.2 |
-1.7 |
0.306 |
1 |
0 |
0 |
0.002 |
| 10 |
14 |
|
A |
27 |
8 |
20532 |
◊ |
B |
x-1/2,-y-1/2,-z |
4_445 |
25 |
7 |
20357 |
220.9 |
0.4 |
0.615 |
0 |
1 |
0 |
0.000 |
| 11 |
15 |
|
C |
16 |
6 |
21034 |
◊ |
B |
x,y,z |
1_555 |
24 |
8 |
20357 |
182.7 |
0.5 |
0.641 |
3 |
3 |
0 |
0.003 |
16 |
|
D |
21 |
8 |
20712 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
20532 |
160.4 |
0.7 |
0.685 |
0 |
3 |
0 |
0.003 |
| Average: |
171.6 |
0.6 |
0.663 |
2 |
3 |
0 |
0.003 |
| 12 |
17 |
|
[TRS]A:541 |
7 |
1 |
254 |
f |
A |
x,y,z |
1_555 |
22 |
8 |
20532 |
141.9 |
3.7 |
0.254 |
5 |
0 |
0 |
0.000 |
| 13 |
18 |
|
[GOL]D:532 |
6 |
1 |
217 |
f |
D |
x,y,z |
1_555 |
21 |
10 |
20712 |
136.5 |
-1.6 |
0.377 |
2 |
0 |
0 |
0.015 |
| 14 |
19 |
|
[GOL]C:531 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
17 |
5 |
21034 |
118.0 |
-0.7 |
0.479 |
2 |
0 |
0 |
0.010 |
| 15 |
20 |
|
[ACT]D:521 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
24 |
10 |
20712 |
111.6 |
-1.2 |
0.544 |
0 |
0 |
0 |
0.007 |
21 |
|
[ACT]B:521 |
4 |
1 |
182 |
f |
B |
x,y,z |
1_555 |
26 |
9 |
20357 |
109.1 |
-1.2 |
0.544 |
0 |
0 |
0 |
0.007 |
| Average: |
110.4 |
-1.2 |
0.544 |
0 |
0 |
0 |
0.007 |
| 16 |
22 |
|
[ACT]A:521 |
4 |
1 |
182 |
f |
A |
x,y,z |
1_555 |
27 |
10 |
20532 |
111.2 |
-1.2 |
0.546 |
0 |
0 |
0 |
0.016 |
23 |
|
[ACT]C:521 |
4 |
1 |
182 |
f |
C |
x,y,z |
1_555 |
22 |
9 |
21034 |
110.7 |
-1.2 |
0.545 |
0 |
0 |
0 |
0.016 |
| Average: |
111.0 |
-1.2 |
0.545 |
0 |
0 |
0 |
0.016 |
| 17 |
24 |
|
[GOL]A:532 |
6 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
20532 |
108.9 |
0.0 |
0.572 |
3 |
0 |
0 |
0.009 |
| 18 |
25 |
|
[GOL]B:531 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
20357 |
106.3 |
0.7 |
0.657 |
3 |
0 |
0 |
0.004 |
| 19 |
26 |
|
A |
15 |
5 |
20532 |
◊ |
D |
-x+3/2,-y,z-1/2 |
2_654 |
14 |
5 |
20712 |
106.1 |
-0.8 |
0.458 |
2 |
0 |
0 |
0.000 |
| 20 |
27 |
|
[ACT]D:522 |
4 |
1 |
182 |
f |
D |
x,y,z |
1_555 |
20 |
6 |
20712 |
103.2 |
-1.1 |
0.533 |
1 |
0 |
0 |
0.009 |
| 21 |
28 |
|
[SO4]A:511 |
5 |
1 |
185 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
20532 |
102.1 |
-12.8 |
0.892 |
4 |
0 |
0 |
0.097 |
| 22 |
29 |
|
[GOL]D:531 |
5 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
20712 |
99.6 |
0.4 |
0.663 |
5 |
0 |
0 |
0.011 |
| 23 |
30 |
|
D |
9 |
2 |
20712 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
12 |
2 |
21034 |
95.3 |
-0.2 |
0.551 |
1 |
0 |
0 |
0.000 |
| 24 |
31 |
|
[GOL]A:531 |
6 |
1 |
221 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
20532 |
90.6 |
0.6 |
0.660 |
1 |
0 |
0 |
0.000 |
| 25 |
32 |
|
[SO4]A:514 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
20532 |
81.4 |
-9.1 |
0.961 |
3 |
0 |
0 |
0.070 |
| 26 |
33 |
|
[SO4]D:512 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
14 |
6 |
20712 |
80.7 |
-10.4 |
0.803 |
2 |
0 |
0 |
0.069 |
| 27 |
34 |
|
[SO4]B:512 |
5 |
1 |
186 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
20357 |
80.6 |
-11.2 |
0.884 |
5 |
0 |
0 |
0.082 |
| 28 |
35 |
|
[SO4]A:513 |
5 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
10 |
5 |
20532 |
80.3 |
-10.0 |
0.922 |
3 |
0 |
0 |
0.076 |
| 29 |
36 |
|
[SO4]B:513 |
5 |
1 |
185 |
f |
C |
x,y-1,z |
1_545 |
10 |
5 |
21034 |
80.2 |
-11.6 |
0.710 |
4 |
0 |
0 |
0.089 |
| 30 |
37 |
|
[SO4]B:511 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
9 |
4 |
20357 |
77.4 |
-10.0 |
0.755 |
2 |
0 |
0 |
0.066 |
| 31 |
38 |
|
[SO4]B:514 |
5 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
12 |
5 |
21034 |
77.4 |
-9.0 |
0.910 |
3 |
0 |
0 |
0.069 |
| 32 |
39 |
|
[SO4]B:513 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
20357 |
76.2 |
-8.9 |
0.825 |
2 |
0 |
0 |
0.009 |
| 33 |
40 |
|
[SO4]C:513 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
21034 |
75.6 |
-9.7 |
0.868 |
3 |
0 |
0 |
0.073 |
| 34 |
41 |
|
[SO4]D:511 |
5 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
9 |
4 |
20712 |
74.6 |
-9.5 |
0.763 |
2 |
0 |
0 |
0.064 |
| 35 |
42 |
|
[SO4]A:512 |
4 |
1 |
186 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
20532 |
71.4 |
-9.4 |
0.898 |
3 |
0 |
0 |
0.072 |
| 36 |
43 |
|
B |
7 |
4 |
20357 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
6 |
2 |
20712 |
69.4 |
-0.4 |
0.387 |
1 |
0 |
0 |
0.000 |
| 37 |
44 |
|
[SO4]B:514 |
5 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
20357 |
68.2 |
-9.1 |
0.845 |
1 |
0 |
0 |
0.026 |
| 38 |
45 |
|
A |
10 |
3 |
20532 |
f |
[SO4]B:515 |
x-1/2,-y-1/2,-z |
4_445 |
4 |
1 |
185 |
67.7 |
-9.2 |
0.822 |
2 |
0 |
0 |
0.067 |
| 39 |
46 |
|
[SO4]C:512 |
4 |
1 |
185 |
f |
C |
x,y,z |
1_555 |
6 |
3 |
21034 |
65.2 |
-7.7 |
0.918 |
2 |
0 |
0 |
0.058 |
| 40 |
47 |
|
[TRS]A:541 |
5 |
1 |
254 |
◊ |
B |
x,y,z |
1_555 |
13 |
4 |
20357 |
61.9 |
1.5 |
0.794 |
0 |
0 |
0 |
0.000 |
| 41 |
48 |
|
[SO4]B:515 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
20357 |
61.4 |
-8.5 |
0.684 |
2 |
0 |
0 |
0.005 |
| 42 |
49 |
|
[SO4]D:513 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
20712 |
61.4 |
-8.1 |
0.726 |
2 |
0 |
0 |
0.055 |
| 43 |
50 |
|
[SO4]A:513 |
5 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
6 |
3 |
20712 |
56.6 |
-6.5 |
0.905 |
0 |
0 |
0 |
0.018 |
| 44 |
51 |
|
A |
8 |
3 |
20532 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
10 |
3 |
21034 |
55.6 |
-0.8 |
0.414 |
0 |
0 |
0 |
0.000 |
| 45 |
52 |
|
[SO4]B:511 |
5 |
1 |
185 |
◊ |
D |
x,y,z |
1_555 |
4 |
2 |
20712 |
51.4 |
-4.7 |
0.952 |
2 |
0 |
0 |
0.015 |
| 46 |
53 |
|
[UGA]C:501 |
7 |
1 |
695 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
20712 |
48.0 |
-0.5 |
0.642 |
2 |
0 |
0 |
0.017 |
54 |
|
[UGA]B:501 |
7 |
1 |
687 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
20532 |
47.1 |
-0.5 |
0.659 |
2 |
0 |
0 |
0.017 |
55 |
|
[UGA]D:501 |
7 |
1 |
690 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
21034 |
46.2 |
-0.4 |
0.647 |
2 |
0 |
0 |
0.017 |
56 |
|
[UGA]A:501 |
7 |
1 |
697 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
20357 |
43.2 |
-0.5 |
0.652 |
2 |
0 |
0 |
0.017 |
| Average: |
46.1 |
-0.5 |
0.650 |
2 |
0 |
0 |
0.017 |
| 47 |
57 |
|
[SO4]A:512 |
4 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
21034 |
47.3 |
-6.0 |
0.574 |
1 |
0 |
0 |
0.043 |
| 48 |
58 |
|
A |
8 |
3 |
20532 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
5 |
3 |
20712 |
45.7 |
0.6 |
0.726 |
1 |
0 |
0 |
0.000 |
| 49 |
59 |
|
A |
4 |
1 |
20532 |
◊ |
[SO4]D:513 |
-x+3/2,-y,z-1/2 |
2_654 |
4 |
1 |
184 |
45.1 |
-5.7 |
0.483 |
0 |
0 |
0 |
0.000 |
| 50 |
60 |
|
[SO4]C:512 |
5 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
20532 |
42.9 |
-5.7 |
0.508 |
1 |
0 |
0 |
0.041 |
| 51 |
61 |
|
B |
9 |
5 |
20357 |
◊ |
C |
-x+2,y-1/2,-z+1/2 |
3_745 |
5 |
3 |
21034 |
42.9 |
0.8 |
0.752 |
2 |
0 |
0 |
0.000 |
| 52 |
62 |
|
[GOL]D:532 |
2 |
1 |
217 |
f |
[UGA]D:501 |
x,y,z |
1_555 |
6 |
1 |
690 |
36.2 |
0.2 |
0.696 |
1 |
0 |
0 |
0.002 |
| 53 |
63 |
|
[SO4]D:511 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
20357 |
32.7 |
-2.7 |
0.971 |
0 |
0 |
0 |
0.007 |
| 54 |
64 |
|
[TRS]A:541 |
2 |
1 |
254 |
f |
[UGA]A:501 |
x,y,z |
1_555 |
4 |
1 |
697 |
27.1 |
-0.0 |
0.751 |
1 |
0 |
0 |
0.003 |
| 55 |
65 |
|
[SO4]A:514 |
3 |
1 |
184 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
20357 |
25.4 |
-3.6 |
0.636 |
0 |
0 |
0 |
0.022 |
| 56 |
66 |
|
[ACT]D:522 |
4 |
1 |
182 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
21034 |
24.5 |
-0.4 |
0.399 |
0 |
0 |
0 |
0.002 |
| 57 |
67 |
|
[GOL]C:531 |
1 |
1 |
221 |
f |
[UGA]C:501 |
x,y,z |
1_555 |
2 |
1 |
695 |
14.6 |
0.2 |
0.546 |
0 |
0 |
0 |
0.000 |
| 58 |
68 |
|
[GOL]A:532 |
1 |
1 |
219 |
f |
[UGA]A:501 |
x,y,z |
1_555 |
2 |
1 |
697 |
13.5 |
0.2 |
0.545 |
0 |
0 |
0 |
0.000 |
| 59 |
69 |
|
[GOL]C:531 |
2 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
20712 |
8.6 |
-0.3 |
0.461 |
0 |
0 |
0 |
0.002 |
| 60 |
70 |
|
B |
4 |
3 |
20357 |
◊ |
C |
-x+1,y-1/2,-z+1/2 |
3_645 |
1 |
1 |
21034 |
7.9 |
-0.2 |
0.362 |
0 |
0 |
0 |
0.000 |
| 61 |
71 |
|
[GOL]A:532 |
2 |
1 |
219 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
20357 |
7.9 |
-0.2 |
0.459 |
0 |
0 |
0 |
0.001 |
| 62 |
72 |
|
B |
2 |
2 |
20357 |
◊ |
A |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
20532 |
4.7 |
0.3 |
0.740 |
0 |
0 |
0 |
0.000 |
| 63 |
73 |
|
[GOL]C:531 |
1 |
1 |
221 |
f |
[SO4]C:512 |
x,y,z |
1_555 |
1 |
1 |
185 |
2.5 |
-0.3 |
0.707 |
0 |
0 |
0 |
0.002 |
| 64 |
74 |
|
[GOL]A:532 |
1 |
1 |
219 |
f |
[SO4]A:512 |
x,y,z |
1_555 |
1 |
1 |
186 |
1.9 |
-0.2 |
0.707 |
0 |
0 |
0 |
0.001 |
|