## |
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 |
90 |
25 |
11596 |
◊ |
A |
x,y,z |
1_555 |
93 |
27 |
6363 |
885.2 |
-4.6 |
0.628 |
6 |
2 |
0 |
0.248 |
2 |
2 |
|
D |
87 |
25 |
11458 |
◊ |
C |
x,y,z |
1_555 |
89 |
25 |
6478 |
882.2 |
-1.2 |
0.698 |
11 |
2 |
0 |
0.079 |
3 |
3 |
|
B |
63 |
18 |
11596 |
◊ |
D |
x-y+1,x,z+1/3 |
6_655 |
63 |
21 |
11458 |
630.2 |
-11.1 |
0.095 |
1 |
0 |
0 |
0.143 |
4 |
4 |
|
D |
66 |
25 |
11458 |
◊ |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
56 |
21 |
11596 |
494.4 |
0.8 |
0.841 |
2 |
0 |
0 |
0.001 |
5 |
5 |
|
C |
48 |
13 |
6478 |
◊ |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
52 |
15 |
11596 |
429.2 |
-4.3 |
0.364 |
4 |
1 |
0 |
0.117 |
6 |
6 |
|
B |
34 |
13 |
11596 |
◊ |
D |
-y+1,x-y+1,z-1/3 |
2_664 |
37 |
13 |
11458 |
335.7 |
3.1 |
0.912 |
9 |
0 |
0 |
0.000 |
7 |
7 |
|
D |
28 |
8 |
11458 |
◊ |
B |
x,y,z |
1_555 |
19 |
6 |
11596 |
209.8 |
-2.2 |
0.431 |
1 |
0 |
0 |
0.000 |
8 |
8 |
|
D |
20 |
7 |
11458 |
◊ |
A |
-y+1,x-y+1,z-1/3 |
2_664 |
22 |
7 |
6363 |
205.8 |
-2.2 |
0.363 |
1 |
1 |
0 |
0.020 |
9 |
9 |
|
B |
17 |
7 |
11596 |
◊ |
C |
x-y+1,x,z+1/3 |
6_655 |
16 |
5 |
6478 |
181.7 |
-2.1 |
0.321 |
4 |
1 |
0 |
0.030 |
10 |
10 |
|
[SGN]E:9 |
16 |
1 |
430 |
◊ |
B |
x,y,z |
1_555 |
27 |
8 |
11596 |
176.5 |
2.8 |
0.324 |
4 |
0 |
0 |
0.000 |
11 |
11 |
|
[IDS]E:6 |
12 |
1 |
359 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
6363 |
145.8 |
2.1 |
0.790 |
7 |
0 |
0 |
0.000 |
12 |
12 |
|
D |
20 |
8 |
11458 |
◊ |
[IDS]E:10 |
-y+1,x-y+1,z-1/3 |
2_664 |
13 |
1 |
361 |
145.8 |
-0.5 |
0.527 |
3 |
0 |
0 |
0.000 |
13 |
13 |
|
[SGN]E:3 |
15 |
1 |
440 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
6363 |
138.5 |
1.1 |
0.257 |
4 |
0 |
0 |
0.000 |
14 |
14 |
|
[SGN]E:7 |
12 |
1 |
431 |
◊ |
A |
x,y,z |
1_555 |
18 |
7 |
6363 |
129.5 |
1.8 |
0.372 |
2 |
0 |
0 |
0.000 |
15 |
15 |
|
[SGN]E:1 |
12 |
1 |
454 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
6478 |
120.5 |
1.7 |
0.350 |
2 |
0 |
0 |
0.000 |
16 |
16 |
|
A |
11 |
4 |
6363 |
◊ |
D |
x-y+1,x,z+1/3 |
6_655 |
14 |
6 |
11458 |
116.2 |
-1.8 |
0.309 |
2 |
0 |
0 |
0.020 |
17 |
17 |
|
[SGN]E:5 |
10 |
1 |
440 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
6363 |
111.1 |
1.5 |
0.352 |
2 |
0 |
0 |
0.000 |
18 |
18 |
|
[IDS]E:10 |
11 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
13 |
5 |
11596 |
104.1 |
0.7 |
0.645 |
1 |
0 |
0 |
0.000 |
19 |
19 |
|
[SO4]C:804 |
5 |
1 |
186 |
f |
D |
x,y,z |
1_555 |
12 |
5 |
11458 |
101.6 |
-14.8 |
0.854 |
4 |
0 |
0 |
0.205 |
20 |
20 |
|
[IDS]E:4 |
11 |
1 |
358 |
cf |
[SGN]E:5 |
x,y,z |
1_555 |
12 |
1 |
440 |
96.6 |
1.1 |
0.278 |
2 |
0 |
0 |
0.000 |
21 |
21 |
|
[IDS]E:4 |
11 |
1 |
358 |
f |
C |
x,y,z |
1_555 |
11 |
3 |
6478 |
94.2 |
2.4 |
0.786 |
2 |
0 |
0 |
0.000 |
22 |
22 |
|
[IDS]E:6 |
10 |
1 |
359 |
cf |
[SGN]E:7 |
x,y,z |
1_555 |
10 |
1 |
431 |
91.9 |
0.9 |
0.353 |
1 |
0 |
0 |
0.000 |
23 |
23 |
|
[IDS]E:2 |
10 |
1 |
370 |
cf |
[SGN]E:3 |
x,y,z |
1_555 |
10 |
1 |
440 |
91.8 |
1.0 |
0.385 |
2 |
0 |
0 |
0.000 |
24 |
24 |
|
[SO4]C:800 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
17 |
6 |
6478 |
91.6 |
-14.3 |
0.721 |
3 |
0 |
0 |
0.296 |
25 |
25 |
|
[IDS]E:2 |
11 |
1 |
370 |
f |
C |
x,y,z |
1_555 |
9 |
3 |
6478 |
89.6 |
-2.0 |
0.425 |
6 |
0 |
0 |
0.089 |
26 |
26 |
|
[SO4]D:802 |
5 |
1 |
187 |
f |
D |
x,y,z |
1_555 |
13 |
5 |
11458 |
87.3 |
-10.4 |
0.914 |
2 |
0 |
0 |
0.139 |
27 |
27 |
|
[IDS]E:8 |
10 |
1 |
361 |
cf |
[SGN]E:9 |
x,y,z |
1_555 |
11 |
1 |
430 |
86.4 |
1.2 |
0.319 |
0 |
0 |
0 |
0.000 |
28 |
28 |
|
[IDS]E:4 |
9 |
1 |
358 |
cf |
[SGN]E:3 |
x,y,z |
1_555 |
9 |
1 |
440 |
84.0 |
1.3 |
0.223 |
0 |
0 |
0 |
0.000 |
29 |
29 |
|
[SGN]E:3 |
10 |
1 |
440 |
f |
C |
x,y,z |
1_555 |
7 |
2 |
6478 |
83.2 |
2.0 |
0.399 |
1 |
0 |
0 |
0.000 |
30 |
30 |
|
[SO4]D:803 |
5 |
1 |
186 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
6478 |
82.6 |
-9.8 |
0.894 |
4 |
0 |
0 |
0.220 |
31 |
31 |
|
[IDS]E:2 |
10 |
1 |
370 |
cf |
[SGN]E:1 |
x,y,z |
1_555 |
7 |
1 |
454 |
82.5 |
1.9 |
0.258 |
0 |
0 |
0 |
0.000 |
32 |
32 |
|
[IDS]E:8 |
9 |
1 |
361 |
cf |
[SGN]E:7 |
x,y,z |
1_555 |
7 |
1 |
431 |
81.6 |
1.6 |
0.274 |
0 |
0 |
0 |
0.000 |
33 |
33 |
|
[IDS]E:6 |
11 |
1 |
359 |
cf |
[SGN]E:5 |
x,y,z |
1_555 |
7 |
1 |
440 |
75.8 |
1.8 |
0.251 |
0 |
0 |
0 |
0.000 |
34 |
34 |
|
[IDS]E:8 |
7 |
1 |
361 |
◊ |
A |
x,y,z |
1_555 |
13 |
4 |
6363 |
71.5 |
-1.1 |
0.487 |
0 |
0 |
0 |
0.000 |
35 |
35 |
|
[SO4]D:803 |
5 |
1 |
186 |
◊ |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
11 |
4 |
11596 |
69.3 |
-8.7 |
0.687 |
0 |
0 |
0 |
0.164 |
36 |
36 |
|
[IDS]E:10 |
9 |
1 |
361 |
cf |
[SGN]E:9 |
x,y,z |
1_555 |
8 |
1 |
430 |
69.3 |
1.3 |
0.235 |
0 |
0 |
0 |
0.000 |
37 |
37 |
|
D |
6 |
4 |
11458 |
◊ |
[SGN]E:9 |
-y+1,x-y+1,z-1/3 |
2_664 |
10 |
1 |
430 |
67.6 |
2.1 |
0.243 |
2 |
0 |
0 |
0.000 |
38 |
38 |
|
D |
8 |
2 |
11458 |
◊ |
[SGN]E:7 |
-y+1,x-y+1,z-1/3 |
2_664 |
9 |
1 |
431 |
66.3 |
1.0 |
0.295 |
0 |
0 |
0 |
0.000 |
39 |
39 |
|
D |
5 |
2 |
11458 |
◊ |
[IDS]E:8 |
-y+1,x-y+1,z-1/3 |
2_664 |
7 |
1 |
361 |
54.1 |
1.3 |
0.627 |
2 |
0 |
0 |
0.000 |
40 |
40 |
|
[IDS]E:4 |
5 |
1 |
358 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
6363 |
53.2 |
-1.3 |
0.428 |
1 |
0 |
0 |
0.000 |
41 |
41 |
|
[NI]D:901 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
7 |
4 |
11458 |
52.6 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.089 |
42 |
42 |
|
[SO4]D:802 |
3 |
1 |
187 |
◊ |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
7 |
4 |
11596 |
51.6 |
-5.6 |
0.864 |
1 |
0 |
0 |
0.065 |
43 |
43 |
|
[NI]B:903 |
1 |
1 |
115 |
f |
D |
x-y+1,x,z+1/3 |
6_655 |
10 |
4 |
11458 |
51.5 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.076 |
44 |
44 |
|
[NI]B:904 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
11596 |
51.3 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.195 |
45 |
45 |
|
[NI]B:902 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
7 |
3 |
11596 |
50.5 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.206 |
46 |
46 |
|
[NI]B:903 |
1 |
1 |
115 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
11596 |
49.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.070 |
47 |
47 |
|
[IDS]E:2 |
6 |
1 |
370 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
6363 |
48.6 |
0.9 |
0.679 |
1 |
0 |
0 |
0.000 |
48 |
48 |
|
[SO4]C:804 |
5 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
6478 |
45.1 |
-5.5 |
0.704 |
0 |
0 |
0 |
0.068 |
49 |
49 |
|
[SO4]D:801 |
4 |
1 |
186 |
f |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
5 |
2 |
11596 |
42.9 |
-5.1 |
0.724 |
0 |
0 |
0 |
0.168 |
50 |
50 |
|
[NI]D:900 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
11458 |
42.5 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.064 |
51 |
51 |
|
[NI]B:904 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
6363 |
41.6 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.174 |
52 |
|
[NI]D:900 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
6478 |
36.7 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.174 |
Average: |
39.2 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.174 |
52 |
53 |
|
[SGN]E:5 |
4 |
1 |
440 |
f |
C |
x,y,z |
1_555 |
5 |
3 |
6478 |
41.3 |
0.9 |
0.406 |
2 |
0 |
0 |
0.000 |
53 |
54 |
|
[SO4]D:801 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
11458 |
34.6 |
-3.1 |
0.959 |
1 |
0 |
0 |
0.038 |
54 |
55 |
|
[SO4]D:802 |
4 |
1 |
187 |
◊ |
[IDS]E:10 |
-y+1,x-y+1,z-1/3 |
2_664 |
4 |
1 |
361 |
28.7 |
-4.1 |
0.557 |
0 |
0 |
0 |
0.000 |
55 |
56 |
|
[IDS]E:8 |
5 |
1 |
361 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
11596 |
28.7 |
-0.2 |
0.586 |
0 |
0 |
0 |
0.000 |
56 |
57 |
|
[SO4]D:801 |
3 |
1 |
186 |
◊ |
C |
x,y,z |
1_555 |
4 |
2 |
6478 |
26.2 |
-2.6 |
0.929 |
1 |
0 |
0 |
0.057 |
57 |
58 |
|
[SO4]D:803 |
4 |
1 |
186 |
◊ |
D |
x,y,z |
1_555 |
3 |
3 |
11458 |
17.9 |
-2.1 |
0.806 |
0 |
0 |
0 |
0.025 |
58 |
59 |
|
[NI]D:901 |
1 |
1 |
115 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
6478 |
12.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.009 |
60 |
|
[NI]B:902 |
1 |
1 |
115 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
6363 |
4.0 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.009 |
Average: |
8.1 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.009 |
59 |
61 |
|
[IDS]E:4 |
4 |
1 |
358 |
f |
[IDS]E:2 |
x,y,z |
1_555 |
3 |
1 |
370 |
10.1 |
-0.1 |
0.455 |
0 |
0 |
0 |
0.001 |
60 |
62 |
|
[IDS]E:6 |
2 |
1 |
359 |
f |
[IDS]E:4 |
x,y,z |
1_555 |
2 |
1 |
358 |
9.1 |
0.2 |
0.463 |
0 |
0 |
0 |
0.000 |
61 |
63 |
|
[NI]D:900 |
1 |
1 |
115 |
◊ |
B |
-y+1,x-y+1,z-1/3 |
2_664 |
2 |
2 |
11596 |
7.5 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
62 |
64 |
|
[SO4]D:802 |
1 |
1 |
187 |
◊ |
[SO4]D:801 |
x,y,z |
1_555 |
1 |
1 |
186 |
5.6 |
-1.3 |
0.800 |
0 |
0 |
0 |
0.015 |
63 |
65 |
|
[SGN]E:5 |
1 |
1 |
440 |
f |
[SGN]E:3 |
x,y,z |
1_555 |
1 |
1 |
440 |
3.7 |
0.2 |
0.263 |
0 |
0 |
0 |
0.000 |
64 |
66 |
|
[IDS]E:8 |
1 |
1 |
361 |
f |
[IDS]E:6 |
x,y,z |
1_555 |
1 |
1 |
359 |
3.5 |
0.0 |
0.370 |
0 |
0 |
0 |
0.000 |
65 |
67 |
|
[IDS]E:8 |
1 |
1 |
361 |
f |
[IDS]E:10 |
x,y,z |
1_555 |
1 |
1 |
361 |
2.0 |
0.0 |
0.323 |
0 |
0 |
0 |
0.000 |
|