| ## |
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 |
721 |
197 |
29163 |
◊ |
C |
x,y,z |
1_555 |
730 |
194 |
29236 |
6999.1 |
-60.4 |
0.128 |
105 |
47 |
0 |
0.711 |
2 |
|
F |
715 |
195 |
29343 |
◊ |
E |
x,y,z |
1_555 |
714 |
195 |
29280 |
6992.1 |
-60.3 |
0.122 |
112 |
48 |
0 |
0.711 |
3 |
|
B |
722 |
196 |
29141 |
◊ |
A |
x,y,z |
1_555 |
713 |
193 |
29221 |
6969.8 |
-64.0 |
0.081 |
106 |
49 |
0 |
0.711 |
| Average: |
6987.0 |
-61.6 |
0.110 |
108 |
48 |
0 |
0.711 |
| 2 |
4 |
|
B |
67 |
23 |
29141 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
59 |
20 |
29236 |
522.5 |
0.8 |
0.834 |
6 |
4 |
0 |
0.000 |
| 3 |
5 |
|
E |
57 |
16 |
29280 |
◊ |
D |
x,y,z |
1_555 |
58 |
16 |
29163 |
500.7 |
-4.8 |
0.379 |
9 |
0 |
0 |
0.049 |
6 |
|
C |
57 |
17 |
29236 |
◊ |
A |
x,y,z |
1_555 |
54 |
17 |
29221 |
493.3 |
-5.4 |
0.315 |
9 |
0 |
0 |
0.049 |
7 |
|
F |
56 |
16 |
29343 |
◊ |
B |
x,y,z |
1_555 |
54 |
16 |
29141 |
488.8 |
-4.7 |
0.378 |
9 |
0 |
0 |
0.049 |
| Average: |
494.3 |
-5.0 |
0.358 |
9 |
0 |
0 |
0.049 |
| 4 |
8 |
|
C |
32 |
10 |
29236 |
◊ |
B |
x,y,z |
1_555 |
23 |
9 |
29141 |
244.2 |
-3.9 |
0.167 |
0 |
0 |
0 |
0.040 |
9 |
|
E |
21 |
8 |
29280 |
◊ |
B |
x,y,z |
1_555 |
31 |
10 |
29141 |
238.4 |
-3.8 |
0.151 |
0 |
0 |
0 |
0.040 |
10 |
|
E |
30 |
9 |
29280 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
29236 |
233.4 |
-3.7 |
0.130 |
0 |
0 |
0 |
0.040 |
11 |
|
F |
20 |
7 |
29343 |
◊ |
D |
x,y,z |
1_555 |
29 |
9 |
29163 |
230.2 |
-3.5 |
0.161 |
1 |
0 |
0 |
0.040 |
12 |
|
F |
28 |
9 |
29343 |
◊ |
A |
x,y,z |
1_555 |
21 |
7 |
29221 |
229.9 |
-3.7 |
0.156 |
0 |
0 |
0 |
0.040 |
13 |
|
D |
20 |
7 |
29163 |
◊ |
A |
x,y,z |
1_555 |
29 |
9 |
29221 |
221.6 |
-3.3 |
0.173 |
0 |
0 |
0 |
0.040 |
| Average: |
233.0 |
-3.6 |
0.157 |
0 |
0 |
0 |
0.040 |
| 5 |
14 |
|
B |
29 |
8 |
29141 |
◊ |
F |
x-1,y,z |
1_455 |
29 |
7 |
29343 |
215.3 |
-1.3 |
0.565 |
2 |
0 |
0 |
0.000 |
| 6 |
15 |
|
B |
24 |
8 |
29141 |
◊ |
E |
x-1,y,z |
1_455 |
24 |
8 |
29280 |
203.1 |
1.6 |
0.840 |
1 |
0 |
0 |
0.000 |
| 7 |
16 |
|
[GOL]F:703 |
6 |
1 |
221 |
f |
F |
x,y,z |
1_555 |
31 |
15 |
29343 |
160.5 |
1.7 |
0.663 |
4 |
0 |
0 |
0.000 |
| 8 |
17 |
|
[GOL]E:705 |
6 |
1 |
212 |
f |
E |
x,y,z |
1_555 |
24 |
12 |
29280 |
151.3 |
-0.3 |
0.648 |
6 |
0 |
0 |
0.018 |
| 9 |
18 |
|
[GOL]C:702 |
6 |
1 |
223 |
f |
C |
x,y,z |
1_555 |
23 |
9 |
29236 |
142.1 |
-0.7 |
0.489 |
1 |
0 |
0 |
0.019 |
19 |
|
[GOL]F:702 |
6 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
23 |
9 |
29343 |
135.2 |
-1.7 |
0.397 |
3 |
0 |
0 |
0.019 |
| Average: |
138.6 |
-1.2 |
0.443 |
2 |
0 |
0 |
0.019 |
| 10 |
20 |
|
[GOL]E:702 |
6 |
1 |
218 |
f |
E |
x,y,z |
1_555 |
24 |
8 |
29280 |
141.9 |
0.6 |
0.634 |
3 |
0 |
0 |
0.004 |
| 11 |
21 |
|
[GOL]F:704 |
6 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
23 |
8 |
29343 |
141.0 |
0.3 |
0.651 |
4 |
0 |
0 |
0.009 |
| 12 |
22 |
|
[GOL]A:705 |
6 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
24 |
8 |
29221 |
138.9 |
0.1 |
0.578 |
4 |
0 |
0 |
0.019 |
23 |
|
[GOL]B:703 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
23 |
8 |
29141 |
137.0 |
0.2 |
0.604 |
4 |
0 |
0 |
0.019 |
| Average: |
137.9 |
0.2 |
0.591 |
4 |
0 |
0 |
0.019 |
| 13 |
24 |
|
[GOL]C:704 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
25 |
10 |
29236 |
138.4 |
-0.7 |
0.527 |
0 |
0 |
0 |
0.004 |
| 14 |
25 |
|
[GOL]D:702 |
6 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
21 |
9 |
29163 |
136.2 |
-1.9 |
0.328 |
1 |
0 |
0 |
0.014 |
| 15 |
26 |
|
[GOL]C:703 |
6 |
1 |
212 |
f |
C |
x,y,z |
1_555 |
23 |
8 |
29236 |
135.9 |
0.3 |
0.671 |
5 |
0 |
0 |
0.011 |
| 16 |
27 |
|
[GOL]B:704 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
21 |
9 |
29141 |
134.6 |
-1.5 |
0.395 |
3 |
0 |
0 |
0.017 |
| 17 |
28 |
|
[GOL]E:704 |
6 |
1 |
219 |
f |
E |
x,y,z |
1_555 |
22 |
9 |
29280 |
134.5 |
-0.7 |
0.516 |
2 |
0 |
0 |
0.010 |
| 18 |
29 |
|
[GOL]A:703 |
6 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
29221 |
134.0 |
-0.9 |
0.511 |
3 |
0 |
0 |
0.013 |
| 19 |
30 |
|
[GOL]F:705 |
6 |
1 |
215 |
f |
F |
x,y,z |
1_555 |
23 |
10 |
29343 |
130.9 |
0.2 |
0.661 |
5 |
0 |
0 |
0.012 |
| 20 |
31 |
|
[GOL]B:706 |
6 |
1 |
215 |
f |
B |
x,y,z |
1_555 |
23 |
10 |
29141 |
130.0 |
-0.3 |
0.621 |
3 |
0 |
0 |
0.010 |
| 21 |
32 |
|
E |
18 |
6 |
29280 |
◊ |
A |
x,y,z-1 |
1_554 |
11 |
5 |
29221 |
114.5 |
-1.5 |
0.332 |
0 |
0 |
0 |
0.000 |
| 22 |
33 |
|
[GOL]B:710 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
29141 |
114.5 |
0.6 |
0.700 |
2 |
0 |
0 |
0.002 |
| 23 |
34 |
|
[GOL]C:705 |
6 |
1 |
219 |
f |
C |
x,y,z |
1_555 |
22 |
10 |
29236 |
114.3 |
0.3 |
0.706 |
2 |
0 |
0 |
0.004 |
| 24 |
35 |
|
[NEH]E:707 |
3 |
1 |
187 |
f |
E |
x,y,z |
1_555 |
23 |
10 |
29280 |
114.1 |
-1.7 |
0.610 |
1 |
0 |
0 |
0.013 |
| 25 |
36 |
|
[NEH]B:709 |
3 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
22 |
9 |
29141 |
111.1 |
-1.6 |
0.617 |
1 |
0 |
0 |
0.014 |
37 |
|
[NEH]D:706 |
3 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
24 |
10 |
29163 |
110.6 |
-1.9 |
0.586 |
1 |
0 |
0 |
0.014 |
| Average: |
110.9 |
-1.8 |
0.602 |
1 |
0 |
0 |
0.014 |
| 26 |
38 |
|
[NEH]A:708 |
3 |
1 |
187 |
f |
A |
x,y,z |
1_555 |
22 |
10 |
29221 |
111.0 |
-1.6 |
0.620 |
1 |
0 |
0 |
0.012 |
| 27 |
39 |
|
[NEH]F:708 |
3 |
1 |
185 |
f |
F |
x,y,z |
1_555 |
22 |
10 |
29343 |
110.2 |
-1.8 |
0.586 |
1 |
0 |
0 |
0.014 |
| 28 |
40 |
|
[GOL]B:701 |
6 |
1 |
219 |
f |
B |
x,y,z |
1_555 |
19 |
7 |
29141 |
110.0 |
-0.2 |
0.612 |
2 |
0 |
0 |
0.007 |
41 |
|
[GOL]A:701 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
18 |
7 |
29236 |
108.6 |
-0.1 |
0.616 |
2 |
0 |
0 |
0.007 |
| Average: |
109.3 |
-0.2 |
0.614 |
2 |
0 |
0 |
0.007 |
| 29 |
42 |
|
[NEH]C:708 |
3 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
21 |
9 |
29236 |
108.3 |
-1.8 |
0.589 |
1 |
0 |
0 |
0.014 |
| 30 |
43 |
|
[GOL]D:705 |
6 |
1 |
220 |
f |
D |
x,y,z |
1_555 |
20 |
7 |
29163 |
108.0 |
0.6 |
0.690 |
2 |
0 |
0 |
0.002 |
| 31 |
44 |
|
[GOL]C:707 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
29236 |
104.7 |
0.3 |
0.646 |
3 |
0 |
0 |
0.006 |
| 32 |
45 |
|
[GOL]B:707 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
29141 |
103.7 |
-0.2 |
0.573 |
1 |
0 |
0 |
0.004 |
| 33 |
46 |
|
[GOL]D:703 |
6 |
1 |
222 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
29163 |
102.4 |
1.1 |
0.718 |
7 |
0 |
0 |
0.012 |
| 34 |
47 |
|
A |
12 |
7 |
29221 |
◊ |
D |
x-1,y,z |
1_455 |
11 |
5 |
29163 |
94.3 |
-0.6 |
0.489 |
0 |
0 |
0 |
0.000 |
| 35 |
48 |
|
[PO4]C:709 |
5 |
1 |
189 |
f |
C |
x,y,z |
1_555 |
13 |
5 |
29236 |
88.2 |
-4.4 |
0.908 |
3 |
0 |
0 |
0.034 |
| 36 |
49 |
|
[GOL]A:704 |
6 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
12 |
4 |
29221 |
85.9 |
0.4 |
0.718 |
3 |
0 |
0 |
0.006 |
| 37 |
50 |
|
[GOL]F:706 |
6 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
14 |
4 |
29343 |
85.7 |
-0.9 |
0.416 |
0 |
0 |
0 |
0.006 |
| 38 |
51 |
|
[GOL]A:706 |
5 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
29221 |
85.0 |
-1.3 |
0.388 |
0 |
0 |
0 |
0.008 |
| 39 |
52 |
|
[GOL]D:704 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
15 |
4 |
29163 |
84.4 |
-1.1 |
0.405 |
0 |
0 |
0 |
0.007 |
| 40 |
53 |
|
[GOL]B:705 |
5 |
1 |
220 |
f |
B |
x,y,z |
1_555 |
16 |
4 |
29141 |
83.1 |
-1.0 |
0.421 |
0 |
0 |
0 |
0.006 |
| 41 |
54 |
|
[GOL]C:706 |
6 |
1 |
216 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
29236 |
81.8 |
-1.3 |
0.446 |
0 |
0 |
0 |
0.008 |
| 42 |
55 |
|
[GOL]E:703 |
5 |
1 |
217 |
◊ |
E |
x,y,z |
1_555 |
15 |
4 |
29280 |
80.6 |
-0.6 |
0.464 |
0 |
0 |
0 |
0.004 |
| 43 |
56 |
|
E |
10 |
4 |
29280 |
◊ |
B |
x,y,z-1 |
1_554 |
7 |
3 |
29141 |
72.2 |
1.0 |
0.774 |
2 |
0 |
0 |
0.000 |
| 44 |
57 |
|
[CU]C:701 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
5 |
29236 |
63.9 |
-13.3 |
0.000 |
0 |
0 |
0 |
0.160 |
58 |
|
[CU]D:701 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
8 |
7 |
29163 |
63.5 |
-13.4 |
0.000 |
0 |
0 |
0 |
0.160 |
59 |
|
[CU]B:702 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
7 |
29141 |
51.8 |
-10.1 |
0.000 |
0 |
0 |
0 |
0.160 |
60 |
|
[CU]E:701 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
9 |
6 |
29280 |
51.8 |
-10.2 |
0.000 |
0 |
0 |
0 |
0.160 |
61 |
|
[CU]F:701 |
1 |
1 |
125 |
cf |
F |
x,y,z |
1_555 |
8 |
7 |
29343 |
50.9 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.160 |
62 |
|
[CU]A:702 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
29221 |
50.5 |
-9.7 |
0.000 |
0 |
0 |
0 |
0.160 |
| Average: |
55.4 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.160 |
| 45 |
63 |
|
[GOL]A:701 |
4 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
29221 |
55.9 |
1.0 |
0.765 |
2 |
0 |
0 |
0.000 |
64 |
|
[GOL]B:701 |
4 |
1 |
219 |
◊ |
F |
x,y,z |
1_555 |
8 |
5 |
29343 |
55.4 |
1.0 |
0.788 |
2 |
0 |
0 |
0.000 |
| Average: |
55.7 |
1.0 |
0.776 |
2 |
0 |
0 |
0.000 |
| 46 |
65 |
|
[PEO]E:706 |
2 |
1 |
124 |
f |
E |
x,y,z |
1_555 |
14 |
9 |
29280 |
55.1 |
0.1 |
0.534 |
2 |
0 |
0 |
0.005 |
| 47 |
66 |
|
[PEO]B:708 |
2 |
1 |
123 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
29141 |
54.8 |
-0.5 |
0.234 |
3 |
0 |
0 |
0.011 |
| 48 |
67 |
|
[PEO]A:707 |
2 |
1 |
124 |
f |
A |
x,y,z |
1_555 |
11 |
7 |
29221 |
52.9 |
0.1 |
0.469 |
1 |
0 |
0 |
0.002 |
| 49 |
68 |
|
[GOL]F:706 |
5 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
5 |
2 |
29280 |
52.8 |
-1.3 |
0.240 |
0 |
0 |
0 |
0.008 |
| 50 |
69 |
|
[PEO]F:707 |
2 |
1 |
124 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
29343 |
51.2 |
-0.5 |
0.174 |
3 |
0 |
0 |
0.011 |
| 51 |
70 |
|
[GOL]E:703 |
4 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
5 |
2 |
29343 |
51.0 |
-1.1 |
0.246 |
0 |
0 |
0 |
0.006 |
| 52 |
71 |
|
[GOL]C:706 |
4 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
5 |
2 |
29163 |
49.6 |
-1.1 |
0.279 |
0 |
0 |
0 |
0.006 |
| 53 |
72 |
|
E |
8 |
3 |
29280 |
◊ |
[GOL]B:707 |
x,y,z-1 |
1_554 |
5 |
1 |
218 |
47.3 |
-0.4 |
0.540 |
0 |
0 |
0 |
0.000 |
| 54 |
73 |
|
[GOL]D:704 |
4 |
1 |
218 |
◊ |
C |
x,y,z |
1_555 |
5 |
2 |
29236 |
46.9 |
-1.0 |
0.278 |
0 |
0 |
0 |
0.006 |
| 55 |
74 |
|
[GOL]B:705 |
4 |
1 |
220 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
29221 |
46.4 |
-0.6 |
0.328 |
0 |
0 |
0 |
0.003 |
| 56 |
75 |
|
[GOL]A:706 |
3 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
29141 |
38.6 |
-0.2 |
0.417 |
0 |
0 |
0 |
0.000 |
| 57 |
76 |
|
D |
5 |
1 |
29163 |
◊ |
A |
x,y,z-1 |
1_554 |
2 |
1 |
29221 |
31.0 |
-0.5 |
0.258 |
0 |
0 |
0 |
0.000 |
| 58 |
77 |
|
[GOL]F:704 |
2 |
1 |
219 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
29280 |
30.7 |
-0.2 |
0.531 |
0 |
0 |
0 |
0.001 |
| 59 |
78 |
|
B |
5 |
3 |
29141 |
◊ |
D |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
29163 |
30.4 |
-0.2 |
0.533 |
0 |
0 |
0 |
0.000 |
79 |
|
A |
2 |
2 |
29221 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
29236 |
5.7 |
-0.2 |
0.468 |
0 |
0 |
0 |
0.000 |
| Average: |
18.0 |
-0.2 |
0.501 |
0 |
0 |
0 |
0.000 |
| 60 |
80 |
|
[PEO]B:708 |
2 |
1 |
123 |
f |
[CU]B:702 |
x,y,z |
1_555 |
1 |
1 |
125 |
28.2 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.015 |
81 |
|
[PEO]E:706 |
2 |
1 |
124 |
f |
[CU]E:701 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.5 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
27.8 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.015 |
| 61 |
82 |
|
[PEO]F:707 |
2 |
1 |
124 |
f |
[CU]F:701 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.014 |
| 62 |
83 |
|
[PEO]A:707 |
2 |
1 |
124 |
f |
[CU]A:702 |
x,y,z |
1_555 |
1 |
1 |
125 |
27.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.015 |
| 63 |
84 |
|
[GOL]B:707 |
2 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
29221 |
24.5 |
0.2 |
0.698 |
1 |
0 |
0 |
0.001 |
| 64 |
85 |
|
[GOL]A:705 |
1 |
1 |
214 |
◊ |
B |
x,y,z |
1_555 |
4 |
3 |
29141 |
21.4 |
-0.0 |
0.424 |
0 |
0 |
0 |
0.000 |
| 65 |
86 |
|
[GOL]A:701 |
2 |
1 |
218 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
29163 |
20.9 |
-0.7 |
0.218 |
0 |
0 |
0 |
0.004 |
87 |
|
[GOL]B:701 |
2 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
29221 |
20.6 |
-0.7 |
0.221 |
0 |
0 |
0 |
0.004 |
| Average: |
20.8 |
-0.7 |
0.219 |
0 |
0 |
0 |
0.004 |
| 66 |
88 |
|
[GOL]B:703 |
1 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
4 |
3 |
29221 |
20.7 |
-0.0 |
0.428 |
0 |
0 |
0 |
0.000 |
| 67 |
89 |
|
[GOL]E:702 |
1 |
1 |
218 |
◊ |
F |
x,y,z |
1_555 |
4 |
3 |
29343 |
20.3 |
-0.0 |
0.440 |
0 |
0 |
0 |
0.000 |
| 68 |
90 |
|
[GOL]C:703 |
1 |
1 |
212 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
29163 |
17.8 |
-0.0 |
0.475 |
0 |
0 |
0 |
0.000 |
| 69 |
91 |
|
E |
1 |
1 |
29280 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
29221 |
5.9 |
-0.2 |
0.278 |
0 |
0 |
0 |
0.000 |
92 |
|
F |
1 |
1 |
29343 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
29236 |
5.9 |
-0.2 |
0.280 |
0 |
0 |
0 |
0.000 |
93 |
|
D |
1 |
1 |
29163 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
29141 |
5.1 |
-0.2 |
0.295 |
0 |
0 |
0 |
0.000 |
| Average: |
5.6 |
-0.2 |
0.284 |
0 |
0 |
0 |
0.001 |
|