## |
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 |
650 |
167 |
23380 |
◊ |
A |
x,y,z |
1_555 |
517 |
91 |
11436 |
5628.6 |
-51.7 |
0.214 |
97 |
31 |
0 |
0.790 |
2 |
|
D |
636 |
166 |
23086 |
◊ |
B |
x,y,z |
1_555 |
520 |
90 |
11399 |
5585.8 |
-52.7 |
0.215 |
101 |
29 |
0 |
0.790 |
Average: |
5607.2 |
-52.2 |
0.215 |
99 |
30 |
0 |
0.790 |
2 |
3 |
|
B |
69 |
24 |
11399 |
◊ |
A |
x,y,z |
1_555 |
69 |
24 |
11436 |
689.0 |
-2.5 |
0.802 |
7 |
3 |
0 |
0.000 |
3 |
4 |
|
D |
71 |
21 |
23086 |
◊ |
C |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
71 |
20 |
23380 |
645.8 |
-3.0 |
0.460 |
5 |
4 |
0 |
0.000 |
4 |
5 |
|
[HEM]A:605 |
42 |
1 |
850 |
cf |
C |
x,y,z |
1_555 |
60 |
25 |
23380 |
470.2 |
-13.7 |
0.678 |
3 |
0 |
0 |
0.168 |
6 |
|
[HEM]B:605 |
41 |
1 |
852 |
cf |
D |
x,y,z |
1_555 |
59 |
23 |
23086 |
468.2 |
-13.8 |
0.670 |
3 |
0 |
0 |
0.168 |
Average: |
469.2 |
-13.8 |
0.674 |
3 |
0 |
0 |
0.168 |
5 |
7 |
|
D |
38 |
15 |
23086 |
◊ |
C |
x,y,z |
1_555 |
38 |
15 |
23380 |
384.7 |
-7.4 |
0.054 |
4 |
0 |
1 |
0.000 |
6 |
8 |
|
C |
33 |
13 |
23380 |
◊ |
B |
x,y,z |
1_555 |
30 |
10 |
11399 |
260.5 |
-1.2 |
0.523 |
2 |
0 |
0 |
0.000 |
9 |
|
D |
27 |
12 |
23086 |
◊ |
A |
x,y,z |
1_555 |
30 |
10 |
11436 |
259.8 |
-1.3 |
0.458 |
2 |
0 |
0 |
0.000 |
Average: |
260.1 |
-1.2 |
0.491 |
2 |
0 |
0 |
0.000 |
7 |
10 |
|
B |
30 |
9 |
11399 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
30 |
9 |
11399 |
254.8 |
-1.8 |
0.682 |
0 |
0 |
0 |
0.000 |
8 |
11 |
|
[HEM]B:605 |
34 |
1 |
852 |
c |
B |
x,y,z |
1_555 |
37 |
12 |
11399 |
248.3 |
-7.3 |
0.900 |
2 |
0 |
0 |
0.064 |
12 |
|
[HEM]A:605 |
37 |
1 |
850 |
c |
A |
x,y,z |
1_555 |
35 |
10 |
11436 |
247.9 |
-6.9 |
0.916 |
2 |
0 |
0 |
0.064 |
Average: |
248.1 |
-7.1 |
0.908 |
2 |
0 |
0 |
0.064 |
9 |
13 |
|
D |
26 |
9 |
23086 |
◊ |
B |
-y,-x,-z-1/2 |
8_554 |
20 |
6 |
11399 |
235.4 |
2.0 |
0.856 |
1 |
0 |
0 |
0.000 |
10 |
14 |
|
[NAG]D:620 |
13 |
1 |
360 |
cf |
D |
x,y,z |
1_555 |
20 |
10 |
23086 |
174.0 |
4.6 |
0.447 |
3 |
0 |
0 |
0.000 |
15 |
|
[NAG]C:620 |
13 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
18 |
8 |
23380 |
173.7 |
4.3 |
0.413 |
2 |
0 |
0 |
0.000 |
Average: |
173.9 |
4.4 |
0.430 |
3 |
0 |
0 |
0.000 |
11 |
16 |
|
B |
12 |
3 |
11399 |
◊ |
C |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
23 |
9 |
23380 |
169.0 |
0.3 |
0.580 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
D |
19 |
8 |
23086 |
◊ |
C |
-y-1/2,x+1/2,z-1/4 |
3_454 |
14 |
6 |
23380 |
163.1 |
1.1 |
0.664 |
2 |
1 |
0 |
0.000 |
13 |
18 |
|
[NAG]D:630 |
12 |
1 |
363 |
cf |
D |
x,y,z |
1_555 |
21 |
8 |
23086 |
135.0 |
3.0 |
0.342 |
0 |
0 |
0 |
0.000 |
19 |
|
[NAG]C:630 |
12 |
1 |
359 |
cf |
C |
x,y,z |
1_555 |
18 |
7 |
23380 |
125.0 |
2.7 |
0.269 |
0 |
0 |
0 |
0.000 |
Average: |
130.0 |
2.9 |
0.306 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[BMA]D:642 |
9 |
1 |
289 |
◊ |
C |
x,y,z |
1_555 |
18 |
8 |
23380 |
112.1 |
1.8 |
0.351 |
0 |
0 |
0 |
0.000 |
21 |
|
[BMA]C:642 |
9 |
1 |
291 |
◊ |
D |
x,y,z |
1_555 |
19 |
8 |
23086 |
110.3 |
1.5 |
0.331 |
0 |
0 |
0 |
0.000 |
Average: |
111.2 |
1.6 |
0.341 |
0 |
0 |
0 |
0.000 |
15 |
22 |
|
[ACT]C:703 |
4 |
1 |
183 |
f |
C |
x,y,z |
1_555 |
14 |
6 |
23380 |
107.0 |
-0.9 |
0.588 |
1 |
3 |
0 |
0.020 |
16 |
23 |
|
[FUC]D:645 |
8 |
1 |
281 |
f |
D |
x,y,z |
1_555 |
19 |
6 |
23086 |
106.5 |
2.6 |
0.452 |
0 |
0 |
0 |
0.000 |
24 |
|
[FUC]C:645 |
8 |
1 |
282 |
f |
C |
x,y,z |
1_555 |
19 |
6 |
23380 |
105.4 |
2.2 |
0.410 |
0 |
0 |
0 |
0.000 |
Average: |
105.9 |
2.4 |
0.431 |
0 |
0 |
0 |
0.000 |
17 |
25 |
|
[NAG]C:641 |
11 |
1 |
362 |
◊ |
D |
x,y,z |
1_555 |
15 |
5 |
23086 |
97.7 |
1.2 |
0.187 |
0 |
0 |
0 |
0.000 |
26 |
|
[NAG]D:641 |
11 |
1 |
364 |
◊ |
C |
x,y,z |
1_555 |
15 |
5 |
23380 |
96.8 |
1.2 |
0.191 |
0 |
0 |
0 |
0.000 |
Average: |
97.3 |
1.2 |
0.189 |
0 |
0 |
0 |
0.000 |
18 |
27 |
|
[ACT]D:703 |
4 |
1 |
183 |
f |
D |
x,y,z |
1_555 |
19 |
8 |
23086 |
96.5 |
-0.3 |
0.672 |
2 |
3 |
0 |
0.018 |
19 |
28 |
|
[BMA]C:644 |
8 |
1 |
290 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
23086 |
88.6 |
1.0 |
0.240 |
1 |
0 |
0 |
0.000 |
20 |
29 |
|
[BMA]D:644 |
7 |
1 |
286 |
◊ |
C |
x,y,z |
1_555 |
8 |
3 |
23380 |
86.8 |
0.9 |
0.259 |
1 |
0 |
0 |
0.000 |
21 |
30 |
|
[NAG]D:640 |
11 |
1 |
356 |
cf |
D |
x,y,z |
1_555 |
11 |
4 |
23086 |
86.6 |
2.2 |
0.257 |
1 |
0 |
0 |
0.000 |
22 |
31 |
|
[NAG]C:640 |
12 |
1 |
361 |
cf |
C |
x,y,z |
1_555 |
9 |
3 |
23380 |
86.0 |
2.2 |
0.246 |
0 |
0 |
0 |
0.000 |
23 |
32 |
|
[NAG]D:641 |
9 |
1 |
364 |
cf |
[NAG]D:640 |
x,y,z |
1_555 |
6 |
1 |
356 |
72.6 |
2.0 |
0.110 |
0 |
0 |
0 |
0.000 |
33 |
|
[NAG]C:641 |
9 |
1 |
362 |
cf |
[NAG]C:640 |
x,y,z |
1_555 |
6 |
1 |
361 |
70.5 |
1.7 |
0.101 |
0 |
0 |
0 |
0.000 |
Average: |
71.6 |
1.8 |
0.106 |
0 |
0 |
0 |
0.000 |
24 |
34 |
|
[BMA]C:643 |
7 |
1 |
291 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
23086 |
72.5 |
1.9 |
0.269 |
2 |
0 |
0 |
0.000 |
35 |
|
[BMA]D:643 |
6 |
1 |
293 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
23380 |
60.1 |
1.7 |
0.339 |
2 |
0 |
0 |
0.000 |
Average: |
66.3 |
1.8 |
0.304 |
2 |
0 |
0 |
0.000 |
25 |
36 |
|
D |
9 |
3 |
23086 |
◊ |
D |
-y,-x,-z-1/2 |
8_554 |
9 |
3 |
23086 |
65.6 |
2.0 |
0.884 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
[BMA]C:644 |
4 |
1 |
290 |
cf |
[BMA]C:642 |
x,y,z |
1_555 |
6 |
1 |
291 |
59.6 |
1.9 |
0.239 |
0 |
0 |
0 |
0.000 |
27 |
38 |
|
[BMA]D:644 |
4 |
1 |
286 |
cf |
[BMA]D:642 |
x,y,z |
1_555 |
6 |
1 |
289 |
58.0 |
1.7 |
0.231 |
0 |
0 |
0 |
0.000 |
28 |
39 |
|
[BMA]C:642 |
6 |
1 |
291 |
cf |
[NAG]C:641 |
x,y,z |
1_555 |
5 |
1 |
362 |
57.4 |
1.2 |
0.143 |
0 |
0 |
0 |
0.000 |
40 |
|
[BMA]D:642 |
6 |
1 |
289 |
cf |
[NAG]D:641 |
x,y,z |
1_555 |
5 |
1 |
364 |
57.1 |
1.2 |
0.143 |
0 |
0 |
0 |
0.000 |
Average: |
57.3 |
1.2 |
0.143 |
0 |
0 |
0 |
0.000 |
29 |
41 |
|
[FUC]D:645 |
5 |
1 |
281 |
cf |
[NAG]D:640 |
x,y,z |
1_555 |
6 |
1 |
356 |
55.4 |
2.3 |
0.223 |
0 |
0 |
0 |
0.000 |
30 |
42 |
|
[FUC]C:645 |
5 |
1 |
282 |
cf |
[NAG]C:640 |
x,y,z |
1_555 |
5 |
1 |
361 |
55.1 |
2.3 |
0.273 |
0 |
0 |
0 |
0.000 |
31 |
43 |
|
B |
5 |
2 |
11399 |
◊ |
C |
-y-1/2,x+1/2,z-1/4 |
3_454 |
6 |
2 |
23380 |
53.5 |
-1.7 |
0.196 |
0 |
0 |
0 |
0.000 |
32 |
44 |
|
[BMA]C:643 |
7 |
1 |
291 |
cf |
[BMA]C:642 |
x,y,z |
1_555 |
4 |
1 |
291 |
51.1 |
2.4 |
0.243 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
[NAG]C:640 |
7 |
1 |
361 |
◊ |
D |
x,y,z |
1_555 |
7 |
3 |
23086 |
51.0 |
-0.0 |
0.160 |
0 |
0 |
0 |
0.000 |
46 |
|
[NAG]D:640 |
6 |
1 |
356 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
23380 |
46.5 |
-0.2 |
0.136 |
0 |
0 |
0 |
0.000 |
Average: |
48.7 |
-0.1 |
0.148 |
0 |
0 |
0 |
0.000 |
34 |
47 |
|
[BMA]D:643 |
4 |
1 |
293 |
cf |
[BMA]D:642 |
x,y,z |
1_555 |
5 |
1 |
289 |
50.0 |
2.2 |
0.301 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
[CL]A:602 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
12 |
4 |
11436 |
48.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.045 |
49 |
|
[CL]D:602 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
12 |
4 |
11399 |
48.3 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.045 |
Average: |
48.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.045 |
36 |
50 |
|
[CL]A:602 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
23380 |
48.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.079 |
51 |
|
[CL]D:602 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
23086 |
48.2 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
48.3 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.079 |
37 |
52 |
|
[BMA]D:644 |
4 |
1 |
286 |
◊ |
A |
x,y,z |
1_555 |
9 |
1 |
11436 |
41.9 |
0.9 |
0.451 |
0 |
0 |
0 |
0.000 |
38 |
53 |
|
[FUC]D:645 |
6 |
1 |
281 |
◊ |
[BMA]C:644 |
x,y,z |
1_555 |
3 |
1 |
290 |
40.5 |
0.7 |
0.192 |
0 |
0 |
0 |
0.000 |
39 |
54 |
|
[FUC]D:645 |
2 |
1 |
281 |
f |
[NAG]D:641 |
x,y,z |
1_555 |
5 |
1 |
364 |
40.1 |
2.0 |
0.404 |
0 |
0 |
0 |
0.000 |
55 |
|
[FUC]C:645 |
3 |
1 |
282 |
f |
[NAG]C:641 |
x,y,z |
1_555 |
6 |
1 |
362 |
39.4 |
1.9 |
0.258 |
0 |
0 |
0 |
0.000 |
Average: |
39.7 |
1.9 |
0.331 |
0 |
0 |
0 |
0.000 |
40 |
56 |
|
D |
4 |
2 |
23086 |
◊ |
A |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
3 |
1 |
11436 |
40.0 |
0.8 |
0.806 |
1 |
2 |
0 |
0.000 |
41 |
57 |
|
[BMA]C:644 |
4 |
1 |
290 |
◊ |
B |
x,y,z |
1_555 |
10 |
1 |
11399 |
38.3 |
1.0 |
0.502 |
0 |
0 |
0 |
0.000 |
42 |
58 |
|
[FUC]C:645 |
6 |
1 |
282 |
◊ |
[BMA]D:644 |
x,y,z |
1_555 |
4 |
1 |
286 |
38.0 |
1.0 |
0.178 |
0 |
0 |
0 |
0.000 |
43 |
59 |
|
[NAG]C:641 |
3 |
1 |
362 |
◊ |
B |
x,y,z |
1_555 |
3 |
3 |
11399 |
32.2 |
0.5 |
0.367 |
0 |
0 |
0 |
0.000 |
60 |
|
[NAG]D:641 |
3 |
1 |
364 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
11436 |
30.0 |
0.3 |
0.345 |
0 |
0 |
0 |
0.000 |
Average: |
31.1 |
0.4 |
0.356 |
0 |
0 |
0 |
0.000 |
44 |
61 |
|
[CA]C:601 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
23380 |
31.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.091 |
62 |
|
[CA]D:601 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
4 |
4 |
23086 |
30.7 |
-8.2 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
31.0 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.091 |
45 |
63 |
|
[NAG]D:641 |
3 |
1 |
364 |
f |
D |
x,y,z |
1_555 |
2 |
1 |
23086 |
31.1 |
1.0 |
0.567 |
0 |
0 |
0 |
0.000 |
64 |
|
[NAG]C:641 |
3 |
1 |
362 |
f |
C |
x,y,z |
1_555 |
2 |
1 |
23380 |
27.0 |
0.8 |
0.428 |
0 |
0 |
0 |
0.000 |
Average: |
29.1 |
0.9 |
0.497 |
0 |
0 |
0 |
0.000 |
46 |
65 |
|
[CA]D:601 |
1 |
1 |
85 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
11399 |
25.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.033 |
66 |
|
[CA]C:601 |
1 |
1 |
85 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
11436 |
24.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.033 |
Average: |
24.9 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.033 |
47 |
67 |
|
[ACT]C:703 |
2 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
11436 |
20.1 |
-0.3 |
0.635 |
0 |
0 |
0 |
0.003 |
48 |
68 |
|
[BMA]C:644 |
3 |
1 |
290 |
f |
[NAG]C:641 |
x,y,z |
1_555 |
3 |
1 |
362 |
16.6 |
0.1 |
0.189 |
0 |
0 |
0 |
0.000 |
49 |
69 |
|
[BMA]D:644 |
3 |
1 |
286 |
f |
[NAG]D:641 |
x,y,z |
1_555 |
3 |
1 |
364 |
15.9 |
-0.1 |
0.130 |
0 |
0 |
0 |
0.000 |
50 |
70 |
|
C |
1 |
1 |
23380 |
x |
C |
-y-1/2,x+1/2,z-1/4 |
3_454 |
3 |
2 |
23380 |
11.7 |
0.2 |
0.385 |
0 |
0 |
0 |
0.000 |
51 |
71 |
|
[BMA]C:643 |
1 |
1 |
291 |
f |
[NAG]C:641 |
x,y,z |
1_555 |
2 |
1 |
362 |
8.5 |
0.2 |
0.193 |
0 |
0 |
0 |
0.000 |
72 |
|
[BMA]D:643 |
1 |
1 |
293 |
f |
[NAG]D:641 |
x,y,z |
1_555 |
3 |
1 |
364 |
7.4 |
0.2 |
0.217 |
0 |
0 |
0 |
0.000 |
Average: |
7.9 |
0.2 |
0.205 |
0 |
0 |
0 |
0.000 |
52 |
73 |
|
B |
1 |
1 |
11399 |
◊ |
[NAG]C:630 |
-y-1/2,x+1/2,z-1/4 |
3_454 |
2 |
1 |
359 |
6.2 |
0.4 |
0.424 |
0 |
0 |
0 |
0.000 |
53 |
74 |
|
B |
2 |
1 |
11399 |
◊ |
[BMA]D:643 |
-x-1/2,y-1/2,-z-1/4 |
5_444 |
1 |
1 |
293 |
4.2 |
0.1 |
0.335 |
0 |
0 |
0 |
0.000 |
54 |
75 |
|
[ACT]D:703 |
3 |
1 |
183 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
11399 |
2.6 |
0.0 |
0.675 |
0 |
0 |
0 |
0.000 |
55 |
76 |
|
[BMA]D:644 |
1 |
1 |
286 |
◊ |
[NAG]C:640 |
x,y,z |
1_555 |
1 |
1 |
361 |
2.0 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
56 |
77 |
|
C |
1 |
1 |
23380 |
◊ |
A |
-y-1/2,x+1/2,z-1/4 |
3_454 |
1 |
1 |
11436 |
1.5 |
0.0 |
0.534 |
0 |
0 |
0 |
0.000 |
57 |
78 |
|
[BMA]C:644 |
1 |
1 |
290 |
◊ |
[NAG]D:640 |
x,y,z |
1_555 |
2 |
1 |
356 |
1.2 |
0.0 |
0.193 |
0 |
0 |
0 |
0.000 |
58 |
79 |
|
[BMA]D:644 |
1 |
1 |
286 |
◊ |
[NAG]C:641 |
x,y,z |
1_555 |
1 |
1 |
362 |
1.0 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
80 |
|
[BMA]C:644 |
1 |
1 |
290 |
◊ |
[NAG]D:641 |
x,y,z |
1_555 |
1 |
1 |
364 |
0.9 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
Average: |
0.9 |
0.0 |
0.161 |
0 |
0 |
0 |
0.000 |
|