## |
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 |
|
B |
158 |
44 |
23945 |
x |
B |
z-1/2,-x+1/2,-y+1 |
6_456 |
157 |
39 |
23945 |
1493.5 |
-12.3 |
0.331 |
20 |
7 |
0 |
0.106 |
2 |
|
A |
152 |
38 |
23992 |
x |
A |
z-1/2,-x+1/2,-y+1 |
6_456 |
157 |
44 |
23992 |
1486.5 |
-11.7 |
0.349 |
20 |
7 |
0 |
0.106 |
Average: |
1490.0 |
-12.0 |
0.340 |
20 |
7 |
0 |
0.106 |
2 |
3 |
|
B |
125 |
37 |
23945 |
◊ |
A |
x,y,z |
1_555 |
126 |
39 |
23992 |
1198.8 |
-5.2 |
0.634 |
18 |
0 |
0 |
0.033 |
3 |
4 |
|
[HEC]A:1001 |
42 |
1 |
844 |
cf |
A |
x,y,z |
1_555 |
80 |
25 |
23992 |
573.5 |
-21.8 |
0.216 |
5 |
0 |
0 |
0.114 |
5 |
|
[HEC]B:1001 |
42 |
1 |
832 |
cf |
B |
x,y,z |
1_555 |
80 |
26 |
23945 |
538.2 |
-19.4 |
0.300 |
2 |
0 |
0 |
0.114 |
Average: |
555.9 |
-20.6 |
0.258 |
4 |
0 |
0 |
0.114 |
4 |
6 |
|
[HEC]A:1005 |
42 |
1 |
828 |
cf |
A |
x,y,z |
1_555 |
72 |
26 |
23992 |
538.8 |
-20.0 |
0.125 |
4 |
0 |
0 |
0.108 |
7 |
|
[HEC]B:1005 |
42 |
1 |
830 |
cf |
B |
x,y,z |
1_555 |
67 |
23 |
23945 |
523.8 |
-19.8 |
0.083 |
3 |
0 |
0 |
0.108 |
Average: |
531.3 |
-19.9 |
0.104 |
4 |
0 |
0 |
0.108 |
5 |
8 |
|
[HEC]A:1002 |
43 |
1 |
830 |
cf |
A |
x,y,z |
1_555 |
81 |
29 |
23992 |
529.5 |
-21.3 |
0.159 |
6 |
0 |
0 |
0.116 |
9 |
|
[HEC]B:1002 |
43 |
1 |
828 |
cf |
B |
x,y,z |
1_555 |
77 |
29 |
23945 |
523.9 |
-19.6 |
0.240 |
6 |
0 |
0 |
0.116 |
Average: |
526.7 |
-20.5 |
0.200 |
6 |
0 |
0 |
0.116 |
6 |
10 |
|
[HEC]B:1007 |
43 |
1 |
821 |
cf |
B |
x,y,z |
1_555 |
89 |
27 |
23945 |
516.9 |
-19.3 |
0.249 |
4 |
0 |
0 |
0.106 |
11 |
|
[HEC]A:1007 |
43 |
1 |
823 |
cf |
A |
x,y,z |
1_555 |
88 |
27 |
23992 |
515.2 |
-19.4 |
0.237 |
4 |
0 |
0 |
0.106 |
Average: |
516.1 |
-19.3 |
0.243 |
4 |
0 |
0 |
0.106 |
7 |
12 |
|
[HEC]B:1004 |
43 |
1 |
813 |
cf |
B |
x,y,z |
1_555 |
80 |
30 |
23945 |
511.2 |
-15.1 |
0.701 |
5 |
0 |
0 |
0.087 |
13 |
|
[HEC]A:1004 |
42 |
1 |
813 |
cf |
A |
x,y,z |
1_555 |
82 |
29 |
23992 |
511.2 |
-15.0 |
0.687 |
5 |
0 |
0 |
0.087 |
Average: |
511.2 |
-15.1 |
0.694 |
5 |
0 |
0 |
0.087 |
8 |
14 |
|
[HEC]A:1008 |
42 |
1 |
849 |
cf |
A |
x,y,z |
1_555 |
53 |
22 |
23992 |
501.3 |
-18.7 |
0.037 |
0 |
0 |
0 |
0.093 |
15 |
|
[HEC]B:1008 |
42 |
1 |
849 |
cf |
B |
x,y,z |
1_555 |
51 |
20 |
23945 |
494.2 |
-18.4 |
0.039 |
0 |
0 |
0 |
0.093 |
Average: |
497.7 |
-18.6 |
0.038 |
0 |
0 |
0 |
0.093 |
9 |
16 |
|
[HEC]A:1006 |
43 |
1 |
852 |
cf |
A |
x,y,z |
1_555 |
86 |
28 |
23992 |
492.7 |
-19.0 |
0.265 |
2 |
0 |
0 |
0.100 |
17 |
|
[HEC]B:1006 |
43 |
1 |
849 |
cf |
B |
x,y,z |
1_555 |
87 |
28 |
23945 |
491.8 |
-19.0 |
0.280 |
2 |
0 |
0 |
0.100 |
Average: |
492.2 |
-19.0 |
0.272 |
2 |
0 |
0 |
0.100 |
10 |
18 |
|
[HEC]B:1003 |
42 |
1 |
850 |
cf |
B |
x,y,z |
1_555 |
55 |
21 |
23945 |
460.7 |
-15.8 |
0.109 |
0 |
0 |
0 |
0.079 |
19 |
|
[HEC]A:1003 |
42 |
1 |
846 |
cf |
A |
x,y,z |
1_555 |
56 |
20 |
23992 |
459.7 |
-15.9 |
0.105 |
0 |
0 |
0 |
0.079 |
Average: |
460.2 |
-15.8 |
0.107 |
0 |
0 |
0 |
0.079 |
11 |
20 |
|
A |
34 |
12 |
23992 |
◊ |
B |
-z+1/2,-x,y+1/2 |
7_555 |
43 |
17 |
23945 |
320.3 |
0.6 |
0.780 |
5 |
4 |
0 |
0.000 |
12 |
21 |
|
B |
32 |
10 |
23945 |
x |
B |
-z+1/2,-x,y+1/2 |
7_555 |
25 |
7 |
23945 |
241.5 |
1.5 |
0.769 |
4 |
2 |
0 |
0.000 |
13 |
22 |
|
[PG4]A:530 |
11 |
1 |
361 |
f |
A |
x,y,z |
1_555 |
33 |
11 |
23992 |
185.0 |
5.9 |
0.195 |
2 |
0 |
0 |
0.000 |
14 |
23 |
|
A |
17 |
5 |
23992 |
◊ |
B |
z-1/2,-x+1/2,-y+1 |
6_456 |
17 |
5 |
23945 |
169.5 |
-0.2 |
0.665 |
4 |
0 |
0 |
0.004 |
15 |
24 |
|
[PG6]B:530 |
8 |
1 |
297 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
23945 |
143.1 |
3.8 |
0.547 |
1 |
0 |
0 |
0.000 |
16 |
25 |
|
[PG4]A:531 |
6 |
1 |
249 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
23992 |
142.3 |
5.1 |
0.405 |
2 |
0 |
0 |
0.000 |
17 |
26 |
|
B |
14 |
3 |
23945 |
◊ |
[HEC]B:1008 |
z-1/2,-x+1/2,-y+1 |
6_456 |
17 |
1 |
849 |
139.7 |
-4.6 |
0.628 |
1 |
0 |
0 |
0.025 |
27 |
|
[HEC]A:1008 |
17 |
1 |
849 |
◊ |
A |
z-1/2,-x+1/2,-y+1 |
6_456 |
15 |
3 |
23992 |
137.1 |
-4.8 |
0.631 |
1 |
0 |
0 |
0.025 |
Average: |
138.4 |
-4.7 |
0.630 |
1 |
0 |
0 |
0.025 |
18 |
28 |
|
[PG6]B:531 |
7 |
1 |
276 |
◊ |
B |
x,y,z |
1_555 |
26 |
8 |
23945 |
137.3 |
4.8 |
0.257 |
0 |
0 |
0 |
0.000 |
19 |
29 |
|
[PG6]A:529 |
8 |
1 |
294 |
f |
A |
x,y,z |
1_555 |
22 |
9 |
23992 |
133.2 |
2.9 |
0.400 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
[PG4]B:532 |
5 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
23 |
8 |
23945 |
126.0 |
4.2 |
0.494 |
2 |
0 |
0 |
0.000 |
21 |
31 |
|
[PG4]B:536 |
7 |
1 |
255 |
f |
B |
x,y,z |
1_555 |
14 |
6 |
23945 |
122.9 |
3.3 |
0.150 |
0 |
0 |
0 |
0.000 |
22 |
32 |
|
[HEC]B:1002 |
21 |
1 |
828 |
f |
[HEC]B:1001 |
x,y,z |
1_555 |
21 |
1 |
832 |
116.3 |
-4.2 |
0.999 |
0 |
0 |
0 |
0.048 |
33 |
|
[HEC]A:1002 |
21 |
1 |
830 |
f |
[HEC]A:1001 |
x,y,z |
1_555 |
21 |
1 |
844 |
106.3 |
-3.1 |
1.000 |
0 |
0 |
0 |
0.048 |
34 |
|
[HEC]B:1005 |
20 |
1 |
830 |
f |
[HEC]B:1003 |
x,y,z |
1_555 |
18 |
1 |
850 |
99.6 |
-2.8 |
1.000 |
0 |
0 |
0 |
0.048 |
35 |
|
[HEC]A:1005 |
20 |
1 |
828 |
f |
[HEC]A:1003 |
x,y,z |
1_555 |
18 |
1 |
846 |
99.5 |
-2.8 |
1.000 |
0 |
0 |
0 |
0.048 |
36 |
|
[HEC]A:1007 |
16 |
1 |
823 |
f |
[HEC]A:1006 |
x,y,z |
1_555 |
19 |
1 |
852 |
91.1 |
-3.1 |
0.996 |
0 |
0 |
0 |
0.048 |
37 |
|
[HEC]B:1007 |
17 |
1 |
821 |
f |
[HEC]B:1006 |
x,y,z |
1_555 |
19 |
1 |
849 |
89.9 |
-3.0 |
0.998 |
0 |
0 |
0 |
0.048 |
Average: |
100.4 |
-3.2 |
0.999 |
0 |
0 |
0 |
0.048 |
23 |
38 |
|
[PG4]A:532 |
6 |
1 |
246 |
f |
A |
x,y,z |
1_555 |
14 |
4 |
23992 |
104.3 |
3.3 |
0.203 |
1 |
0 |
0 |
0.000 |
24 |
39 |
|
[HEC]B:1003 |
10 |
1 |
850 |
◊ |
A |
x,y,z |
1_555 |
14 |
6 |
23992 |
100.9 |
-2.4 |
0.495 |
0 |
0 |
0 |
0.012 |
40 |
|
[HEC]A:1003 |
10 |
1 |
846 |
◊ |
B |
x,y,z |
1_555 |
15 |
6 |
23945 |
100.9 |
-2.5 |
0.500 |
0 |
0 |
0 |
0.012 |
Average: |
100.9 |
-2.4 |
0.497 |
0 |
0 |
0 |
0.012 |
25 |
41 |
|
[HEC]B:1006 |
16 |
1 |
849 |
f |
[HEC]B:1004 |
x,y,z |
1_555 |
17 |
1 |
813 |
95.9 |
-3.6 |
0.992 |
0 |
0 |
0 |
0.018 |
42 |
|
[HEC]A:1006 |
16 |
1 |
852 |
f |
[HEC]A:1004 |
x,y,z |
1_555 |
19 |
1 |
813 |
95.5 |
-3.6 |
0.992 |
0 |
0 |
0 |
0.018 |
Average: |
95.7 |
-3.6 |
0.992 |
0 |
0 |
0 |
0.018 |
26 |
43 |
|
[PG4]A:534 |
6 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
14 |
3 |
23992 |
93.5 |
3.2 |
0.209 |
0 |
0 |
0 |
0.000 |
27 |
44 |
|
[PG4]A:535 |
5 |
1 |
219 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
23992 |
92.0 |
2.9 |
0.266 |
0 |
0 |
0 |
0.000 |
28 |
45 |
|
[PG4]B:533 |
5 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
13 |
4 |
23945 |
89.1 |
2.7 |
0.190 |
3 |
0 |
0 |
0.000 |
29 |
46 |
|
[PG4]B:535 |
5 |
1 |
248 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
23945 |
87.4 |
2.8 |
0.203 |
0 |
0 |
0 |
0.000 |
30 |
47 |
|
[SO3]A:526 |
4 |
1 |
172 |
f |
A |
x,y,z |
1_555 |
15 |
7 |
23992 |
83.1 |
1.0 |
0.805 |
3 |
0 |
0 |
0.002 |
31 |
48 |
|
[SO3]B:526 |
4 |
1 |
171 |
f |
B |
x,y,z |
1_555 |
14 |
7 |
23945 |
82.1 |
1.0 |
0.806 |
3 |
0 |
0 |
0.002 |
32 |
49 |
|
[PG4]A:533 |
4 |
1 |
220 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
23992 |
74.1 |
2.1 |
0.296 |
0 |
0 |
0 |
0.000 |
33 |
50 |
|
[HEC]B:1008 |
13 |
1 |
849 |
f |
[HEC]B:1007 |
x,y,z |
1_555 |
4 |
1 |
821 |
73.5 |
-2.6 |
0.762 |
0 |
0 |
0 |
0.013 |
51 |
|
[HEC]A:1008 |
13 |
1 |
849 |
f |
[HEC]A:1007 |
x,y,z |
1_555 |
4 |
1 |
823 |
71.6 |
-2.5 |
0.775 |
0 |
0 |
0 |
0.013 |
Average: |
72.5 |
-2.6 |
0.768 |
0 |
0 |
0 |
0.013 |
34 |
52 |
|
[PG4]B:534 |
4 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
12 |
5 |
23945 |
69.8 |
1.5 |
0.227 |
0 |
0 |
0 |
0.000 |
35 |
53 |
|
[HEC]B:1003 |
5 |
1 |
850 |
◊ |
[HEC]A:1003 |
x,y,z |
1_555 |
5 |
1 |
846 |
66.4 |
-2.1 |
0.775 |
0 |
0 |
0 |
0.005 |
36 |
54 |
|
A |
9 |
3 |
23992 |
◊ |
[PG4]A:531 |
z-1/2,-x+1/2,-y+1 |
6_456 |
6 |
1 |
249 |
61.3 |
2.5 |
0.074 |
0 |
0 |
0 |
0.000 |
37 |
55 |
|
[SO3]A:526 |
4 |
1 |
172 |
f |
[HEC]A:1004 |
x,y,z |
1_555 |
24 |
1 |
813 |
60.5 |
-1.9 |
0.512 |
0 |
0 |
0 |
0.009 |
38 |
56 |
|
[SO3]B:526 |
4 |
1 |
171 |
f |
[HEC]B:1004 |
x,y,z |
1_555 |
24 |
1 |
813 |
59.5 |
-1.8 |
0.512 |
0 |
0 |
0 |
0.009 |
39 |
57 |
|
[HEC]B:1001 |
3 |
1 |
832 |
◊ |
B |
-z+1/2,-x,y+1/2 |
7_555 |
8 |
4 |
23945 |
58.2 |
-0.6 |
0.639 |
0 |
0 |
0 |
0.000 |
40 |
58 |
|
[HEC]A:1006 |
6 |
1 |
852 |
f |
[HEC]A:1005 |
x,y,z |
1_555 |
5 |
1 |
828 |
57.0 |
-1.8 |
0.843 |
0 |
0 |
0 |
0.009 |
59 |
|
[HEC]B:1006 |
6 |
1 |
849 |
f |
[HEC]B:1005 |
x,y,z |
1_555 |
5 |
1 |
830 |
55.9 |
-1.8 |
0.845 |
0 |
0 |
0 |
0.009 |
Average: |
56.4 |
-1.8 |
0.844 |
0 |
0 |
0 |
0.009 |
41 |
60 |
|
[PG4]B:532 |
3 |
1 |
214 |
f |
B |
z-1/2,-x+1/2,-y+1 |
6_456 |
8 |
3 |
23945 |
56.6 |
2.4 |
0.426 |
0 |
0 |
0 |
0.000 |
42 |
61 |
|
[HEC]A:1003 |
7 |
1 |
846 |
f |
[HEC]A:1002 |
x,y,z |
1_555 |
5 |
1 |
830 |
54.7 |
-1.7 |
0.864 |
0 |
0 |
0 |
0.008 |
62 |
|
[HEC]B:1003 |
8 |
1 |
850 |
f |
[HEC]B:1002 |
x,y,z |
1_555 |
5 |
1 |
828 |
53.6 |
-1.6 |
0.878 |
0 |
0 |
0 |
0.008 |
Average: |
54.2 |
-1.7 |
0.871 |
0 |
0 |
0 |
0.008 |
43 |
63 |
|
[SO3]B:529 |
3 |
1 |
172 |
f |
B |
-z+1/2,-x,y+1/2 |
7_555 |
9 |
3 |
23945 |
47.7 |
-0.1 |
0.549 |
2 |
0 |
0 |
0.005 |
44 |
64 |
|
[SO3]B:529 |
3 |
1 |
172 |
◊ |
B |
x,y,z |
1_555 |
9 |
3 |
23945 |
47.7 |
-0.1 |
0.555 |
2 |
0 |
0 |
0.000 |
45 |
65 |
|
B |
9 |
3 |
23945 |
◊ |
[SO3]B:529 |
-z+1/2,-x,y+1/2 |
7_555 |
3 |
1 |
172 |
47.5 |
-0.1 |
0.554 |
2 |
0 |
0 |
0.000 |
46 |
66 |
|
[CA]B:527 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
23945 |
44.9 |
-13.0 |
0.000 |
0 |
0 |
0 |
0.064 |
67 |
|
[CA]A:527 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
8 |
6 |
23992 |
44.5 |
-12.7 |
0.000 |
0 |
0 |
0 |
0.064 |
Average: |
44.7 |
-12.8 |
0.000 |
0 |
0 |
0 |
0.064 |
47 |
68 |
|
[HEC]A:1001 |
3 |
1 |
844 |
◊ |
B |
-z+1/2,-x,y+1/2 |
7_555 |
5 |
3 |
23945 |
42.9 |
-0.7 |
0.644 |
0 |
0 |
0 |
0.000 |
48 |
69 |
|
[CA]A:528 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
23992 |
35.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.036 |
70 |
|
[CA]B:528 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
23945 |
35.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
35.6 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.036 |
49 |
71 |
|
B |
3 |
1 |
23945 |
f |
[PG6]B:531 |
z-1/2,-x+1/2,-y+1 |
6_456 |
2 |
1 |
276 |
32.0 |
0.9 |
0.302 |
0 |
0 |
0 |
0.000 |
50 |
72 |
|
[PG4]A:530 |
2 |
1 |
361 |
◊ |
A |
z-1/2,-x+1/2,-y+1 |
6_456 |
3 |
1 |
23992 |
31.7 |
0.9 |
0.345 |
0 |
0 |
0 |
0.000 |
51 |
73 |
|
[CA]B:528 |
1 |
1 |
85 |
f |
[HEC]B:1006 |
x,y,z |
1_555 |
3 |
1 |
849 |
21.6 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.036 |
74 |
|
[CA]A:528 |
1 |
1 |
85 |
f |
[HEC]A:1006 |
x,y,z |
1_555 |
2 |
1 |
852 |
21.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.036 |
75 |
|
[CA]B:528 |
1 |
1 |
85 |
f |
[HEC]B:1007 |
x,y,z |
1_555 |
2 |
1 |
821 |
13.5 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.036 |
76 |
|
[CA]A:528 |
1 |
1 |
85 |
f |
[HEC]A:1007 |
x,y,z |
1_555 |
3 |
1 |
823 |
13.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.036 |
Average: |
17.4 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.036 |
52 |
77 |
|
[HEC]A:1007 |
1 |
1 |
823 |
f |
[HEC]A:1004 |
x,y,z |
1_555 |
2 |
1 |
813 |
10.7 |
-0.3 |
0.653 |
0 |
0 |
0 |
0.002 |
78 |
|
[HEC]B:1007 |
1 |
1 |
821 |
f |
[HEC]B:1004 |
x,y,z |
1_555 |
2 |
1 |
813 |
10.2 |
-0.3 |
0.651 |
0 |
0 |
0 |
0.002 |
Average: |
10.5 |
-0.3 |
0.652 |
0 |
0 |
0 |
0.002 |
53 |
79 |
|
[HEC]A:1008 |
2 |
1 |
849 |
◊ |
[PG4]A:531 |
z-1/2,-x+1/2,-y+1 |
6_456 |
2 |
1 |
249 |
6.5 |
-0.1 |
0.240 |
0 |
0 |
0 |
0.000 |
54 |
80 |
|
[PG4]A:535 |
1 |
1 |
219 |
f |
[PG4]A:534 |
x,y,z |
1_555 |
1 |
1 |
282 |
5.3 |
0.3 |
0.239 |
0 |
0 |
0 |
0.000 |
55 |
81 |
|
[PG4]A:530 |
2 |
1 |
361 |
f |
[HEC]A:1007 |
x,y,z |
1_555 |
1 |
1 |
823 |
2.5 |
-0.0 |
0.163 |
0 |
0 |
0 |
0.000 |
|