| ## |
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 |
|
N |
940 |
253 |
68748 |
◊ |
M |
x,y,z |
1_555 |
897 |
231 |
57852 |
8953.1 |
-87.1 |
0.001 |
80 |
41 |
0 |
0.830 |
2 |
|
D |
927 |
249 |
68761 |
◊ |
C |
x,y,z |
1_555 |
890 |
226 |
57548 |
8886.2 |
-89.3 |
0.001 |
91 |
36 |
0 |
0.830 |
| Average: |
8919.6 |
-88.2 |
0.001 |
86 |
39 |
0 |
0.830 |
| 2 |
3 |
|
O |
242 |
63 |
7175 |
◊ |
N |
x,y,z |
1_555 |
238 |
63 |
68748 |
2281.6 |
-20.6 |
0.129 |
25 |
3 |
0 |
0.627 |
4 |
|
E |
233 |
59 |
7105 |
◊ |
D |
x,y,z |
1_555 |
222 |
57 |
68761 |
2260.7 |
-21.5 |
0.133 |
23 |
10 |
0 |
0.627 |
| Average: |
2271.2 |
-21.1 |
0.131 |
24 |
7 |
0 |
0.627 |
| 3 |
5 |
|
M |
234 |
61 |
57852 |
◊ |
K |
x,y,z |
1_555 |
212 |
62 |
13735 |
2051.8 |
-5.8 |
0.630 |
20 |
17 |
0 |
0.806 |
6 |
|
C |
228 |
62 |
57548 |
◊ |
A |
x,y,z |
1_555 |
221 |
59 |
13590 |
2046.8 |
-1.2 |
0.769 |
17 |
14 |
0 |
0.806 |
| Average: |
2049.3 |
-3.5 |
0.699 |
19 |
16 |
0 |
0.806 |
| 4 |
7 |
|
M |
218 |
64 |
57852 |
◊ |
C |
-y+1,x,z+1/4 |
3_655 |
218 |
66 |
57548 |
1849.6 |
8.5 |
0.946 |
11 |
7 |
0 |
0.000 |
| 5 |
8 |
|
L |
169 |
49 |
13493 |
◊ |
K |
x,y,z |
1_555 |
170 |
46 |
13735 |
1733.6 |
-23.9 |
0.053 |
9 |
0 |
0 |
1.000 |
9 |
|
B |
155 |
45 |
13311 |
◊ |
A |
x,y,z |
1_555 |
163 |
41 |
13590 |
1622.6 |
-24.8 |
0.031 |
7 |
0 |
0 |
1.000 |
| Average: |
1678.1 |
-24.3 |
0.042 |
8 |
0 |
0 |
1.000 |
| 6 |
10 |
|
N |
186 |
56 |
68748 |
◊ |
D |
x,y,z |
1_555 |
181 |
57 |
68761 |
1639.1 |
-3.2 |
0.582 |
18 |
10 |
0 |
0.000 |
11 |
|
N |
180 |
52 |
68748 |
◊ |
D |
x,y-1,z |
1_545 |
187 |
56 |
68761 |
1567.4 |
-5.6 |
0.462 |
11 |
5 |
0 |
0.000 |
| Average: |
1603.2 |
-4.4 |
0.522 |
15 |
8 |
0 |
0.000 |
| 7 |
12 |
|
N |
118 |
34 |
68748 |
◊ |
L |
x,y,z |
1_555 |
130 |
35 |
13493 |
1151.8 |
-6.7 |
0.438 |
7 |
9 |
0 |
0.045 |
13 |
|
D |
119 |
32 |
68761 |
◊ |
B |
x,y,z |
1_555 |
123 |
39 |
13311 |
1139.0 |
-6.9 |
0.428 |
6 |
8 |
0 |
0.045 |
| Average: |
1145.4 |
-6.8 |
0.433 |
7 |
9 |
0 |
0.045 |
| 8 |
14 |
|
G |
144 |
15 |
5483 |
◊ |
D |
x,y,z |
1_555 |
126 |
35 |
68761 |
1090.1 |
-17.7 |
0.627 |
18 |
0 |
0 |
0.516 |
15 |
|
X |
119 |
15 |
5486 |
◊ |
N |
x,y,z |
1_555 |
109 |
33 |
68748 |
972.8 |
-11.8 |
0.659 |
16 |
0 |
0 |
0.516 |
| Average: |
1031.4 |
-14.8 |
0.643 |
17 |
0 |
0 |
0.516 |
| 9 |
16 |
|
H |
109 |
14 |
4037 |
◊ |
C |
x,y,z |
1_555 |
103 |
37 |
57548 |
969.4 |
-15.1 |
0.717 |
11 |
0 |
0 |
0.857 |
17 |
|
Y |
118 |
15 |
4031 |
◊ |
M |
x,y,z |
1_555 |
100 |
40 |
57852 |
915.6 |
-12.8 |
0.801 |
11 |
0 |
0 |
0.857 |
| Average: |
942.5 |
-13.9 |
0.759 |
11 |
0 |
0 |
0.857 |
| 10 |
18 |
|
X |
97 |
13 |
5486 |
◊ |
M |
x,y,z |
1_555 |
88 |
30 |
57852 |
792.6 |
-9.0 |
0.622 |
9 |
0 |
0 |
0.701 |
19 |
|
G |
95 |
12 |
5483 |
◊ |
C |
x,y,z |
1_555 |
83 |
29 |
57548 |
753.7 |
-7.9 |
0.664 |
8 |
0 |
0 |
0.701 |
| Average: |
773.2 |
-8.4 |
0.643 |
9 |
0 |
0 |
0.701 |
| 11 |
20 |
|
Z |
59 |
13 |
3118 |
◊ |
X |
x,y,z |
1_555 |
67 |
13 |
5486 |
597.6 |
-8.0 |
0.663 |
38 |
0 |
0 |
1.000 |
21 |
|
I |
59 |
13 |
3117 |
◊ |
G |
x,y,z |
1_555 |
67 |
13 |
5483 |
597.2 |
-7.9 |
0.673 |
38 |
0 |
0 |
1.000 |
| Average: |
597.4 |
-8.0 |
0.668 |
38 |
0 |
0 |
1.000 |
| 12 |
22 |
|
H |
64 |
11 |
4037 |
◊ |
D |
x,y,z |
1_555 |
62 |
24 |
68761 |
529.4 |
-6.3 |
0.746 |
6 |
0 |
0 |
0.044 |
23 |
|
Y |
65 |
12 |
4031 |
◊ |
N |
x,y,z |
1_555 |
59 |
23 |
68748 |
497.6 |
-7.5 |
0.741 |
8 |
0 |
0 |
0.044 |
| Average: |
513.5 |
-6.9 |
0.743 |
7 |
0 |
0 |
0.044 |
| 13 |
24 |
|
H |
49 |
9 |
4037 |
◊ |
G |
x,y,z |
1_555 |
50 |
9 |
5483 |
447.9 |
-4.1 |
0.855 |
29 |
0 |
0 |
1.000 |
25 |
|
Y |
47 |
9 |
4031 |
◊ |
X |
x,y,z |
1_555 |
51 |
9 |
5486 |
447.3 |
-4.3 |
0.853 |
29 |
0 |
0 |
1.000 |
| Average: |
447.6 |
-4.2 |
0.854 |
29 |
0 |
0 |
1.000 |
| 14 |
26 |
|
I |
45 |
6 |
3117 |
◊ |
D |
x,y,z |
1_555 |
41 |
16 |
68761 |
393.1 |
-7.3 |
0.335 |
5 |
0 |
0 |
0.114 |
27 |
|
Z |
34 |
6 |
3118 |
◊ |
N |
x,y,z |
1_555 |
29 |
13 |
68748 |
296.9 |
-6.4 |
0.297 |
4 |
0 |
0 |
0.114 |
| Average: |
345.0 |
-6.8 |
0.316 |
5 |
0 |
0 |
0.114 |
| 15 |
28 |
|
D |
29 |
10 |
68761 |
◊ |
M |
x,y,z |
1_555 |
39 |
12 |
57852 |
302.1 |
-2.0 |
0.409 |
2 |
0 |
0 |
0.000 |
29 |
|
N |
25 |
9 |
68748 |
◊ |
C |
x,y-1,z |
1_545 |
32 |
10 |
57548 |
287.0 |
-3.0 |
0.283 |
1 |
0 |
0 |
0.000 |
| Average: |
294.6 |
-2.5 |
0.346 |
2 |
0 |
0 |
0.000 |
| 16 |
30 |
|
[STD]N:8001 |
27 |
1 |
882 |
◊ |
N |
x,y,z |
1_555 |
34 |
13 |
68748 |
290.6 |
-0.3 |
0.311 |
1 |
0 |
0 |
0.005 |
31 |
|
[STD]D:7001 |
29 |
1 |
883 |
◊ |
D |
x,y,z |
1_555 |
33 |
12 |
68761 |
283.7 |
0.0 |
0.328 |
1 |
0 |
0 |
0.005 |
| Average: |
287.2 |
-0.1 |
0.320 |
1 |
0 |
0 |
0.005 |
| 17 |
32 |
|
C |
33 |
9 |
57548 |
◊ |
B |
x,y,z |
1_555 |
28 |
7 |
13311 |
271.4 |
2.8 |
0.874 |
3 |
6 |
0 |
0.000 |
33 |
|
M |
31 |
10 |
57852 |
◊ |
L |
x,y,z |
1_555 |
32 |
8 |
13493 |
253.7 |
2.0 |
0.835 |
3 |
4 |
0 |
0.000 |
| Average: |
262.6 |
2.4 |
0.854 |
3 |
5 |
0 |
0.000 |
| 18 |
34 |
|
[STD]N:8001 |
20 |
1 |
882 |
f |
M |
x,y,z |
1_555 |
30 |
8 |
57852 |
230.9 |
-4.2 |
0.200 |
0 |
0 |
0 |
0.224 |
35 |
|
[STD]D:7001 |
16 |
1 |
883 |
f |
C |
x,y,z |
1_555 |
25 |
8 |
57548 |
204.9 |
-3.3 |
0.204 |
0 |
0 |
0 |
0.224 |
| Average: |
217.9 |
-3.8 |
0.202 |
0 |
0 |
0 |
0.224 |
| 19 |
36 |
|
[APC]D:5999 |
23 |
1 |
606 |
f |
D |
x,y,z |
1_555 |
26 |
14 |
68761 |
218.2 |
0.7 |
0.702 |
4 |
0 |
0 |
0.053 |
37 |
|
[APC]M:6999 |
18 |
1 |
603 |
f |
N |
x,y,z |
1_555 |
21 |
11 |
68748 |
191.3 |
0.6 |
0.695 |
6 |
0 |
0 |
0.053 |
| Average: |
204.8 |
0.7 |
0.698 |
5 |
0 |
0 |
0.053 |
| 20 |
38 |
|
L |
22 |
7 |
13493 |
◊ |
B |
-y,x-1,z+1/4 |
3_545 |
31 |
9 |
13311 |
198.5 |
2.5 |
0.884 |
2 |
3 |
0 |
0.000 |
| 21 |
39 |
|
O |
24 |
7 |
7175 |
◊ |
M |
x,y,z |
1_555 |
22 |
8 |
57852 |
167.5 |
-0.1 |
0.616 |
0 |
0 |
0 |
0.002 |
40 |
|
E |
19 |
6 |
7105 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
57548 |
138.4 |
-0.2 |
0.640 |
0 |
1 |
0 |
0.002 |
| Average: |
153.0 |
-0.2 |
0.628 |
0 |
1 |
0 |
0.002 |
| 22 |
41 |
|
[STD]N:8001 |
21 |
1 |
882 |
◊ |
Z |
x,y,z |
1_555 |
18 |
4 |
3118 |
133.8 |
0.7 |
0.613 |
0 |
0 |
0 |
0.000 |
42 |
|
[STD]D:7001 |
21 |
1 |
883 |
◊ |
I |
x,y,z |
1_555 |
17 |
4 |
3117 |
133.4 |
1.1 |
0.628 |
0 |
0 |
0 |
0.000 |
| Average: |
133.6 |
0.9 |
0.620 |
0 |
0 |
0 |
0.000 |
| 23 |
43 |
|
Z |
20 |
2 |
3118 |
◊ |
M |
x,y,z |
1_555 |
19 |
7 |
57852 |
132.2 |
-1.4 |
0.410 |
1 |
0 |
0 |
0.019 |
44 |
|
I |
19 |
2 |
3117 |
◊ |
C |
x,y,z |
1_555 |
18 |
8 |
57548 |
125.0 |
-1.8 |
0.403 |
1 |
0 |
0 |
0.019 |
| Average: |
128.6 |
-1.6 |
0.406 |
1 |
0 |
0 |
0.019 |
| 24 |
45 |
|
[APC]M:6999 |
12 |
1 |
603 |
◊ |
M |
x,y,z |
1_555 |
16 |
9 |
57852 |
122.5 |
1.1 |
0.719 |
4 |
0 |
0 |
0.007 |
46 |
|
[APC]D:5999 |
13 |
1 |
606 |
◊ |
C |
x,y,z |
1_555 |
16 |
8 |
57548 |
118.5 |
1.0 |
0.705 |
5 |
0 |
0 |
0.007 |
| Average: |
120.5 |
1.0 |
0.712 |
5 |
0 |
0 |
0.007 |
| 25 |
47 |
|
[APC]M:6999 |
15 |
1 |
603 |
◊ |
Y |
x,y,z |
1_555 |
14 |
1 |
4031 |
85.1 |
1.8 |
0.815 |
0 |
0 |
0 |
0.000 |
48 |
|
[APC]D:5999 |
15 |
1 |
606 |
◊ |
H |
x,y,z |
1_555 |
14 |
1 |
4037 |
83.8 |
1.8 |
0.810 |
0 |
0 |
0 |
0.000 |
| Average: |
84.4 |
1.8 |
0.813 |
0 |
0 |
0 |
0.000 |
| 26 |
49 |
|
[STD]N:8001 |
7 |
1 |
882 |
◊ |
X |
x,y,z |
1_555 |
9 |
3 |
5486 |
63.2 |
-1.4 |
0.466 |
0 |
0 |
0 |
0.096 |
50 |
|
[STD]D:7001 |
8 |
1 |
883 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
5483 |
61.7 |
-1.6 |
0.427 |
0 |
0 |
0 |
0.096 |
| Average: |
62.5 |
-1.5 |
0.446 |
0 |
0 |
0 |
0.096 |
| 27 |
51 |
|
[APC]D:5999 |
4 |
1 |
606 |
◊ |
G |
x,y,z |
1_555 |
9 |
2 |
5483 |
62.2 |
0.2 |
0.638 |
1 |
0 |
0 |
0.006 |
52 |
|
[APC]M:6999 |
4 |
1 |
603 |
◊ |
X |
x,y,z |
1_555 |
10 |
2 |
5486 |
62.1 |
0.2 |
0.655 |
1 |
0 |
0 |
0.006 |
| Average: |
62.2 |
0.2 |
0.647 |
1 |
0 |
0 |
0.006 |
| 28 |
53 |
|
[MG]D:9001 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
7 |
3 |
68761 |
36.6 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.145 |
54 |
|
[MG]N:9003 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
9 |
3 |
68748 |
35.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.145 |
| Average: |
35.9 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.145 |
| 29 |
55 |
|
[APC]D:5999 |
6 |
1 |
606 |
f |
[MG]D:9002 |
x,y,z |
1_555 |
1 |
1 |
98 |
36.5 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.144 |
56 |
|
[APC]M:6999 |
6 |
1 |
603 |
f |
[MG]N:9004 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.6 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.144 |
| Average: |
36.0 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.144 |
| 30 |
57 |
|
[MG]D:9002 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
6 |
4 |
68761 |
30.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.056 |
58 |
|
[MG]N:9004 |
1 |
1 |
98 |
f |
N |
x,y,z |
1_555 |
4 |
4 |
68748 |
28.7 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.056 |
| Average: |
29.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.056 |
| 31 |
59 |
|
[MG]D:9001 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
4 |
1 |
4037 |
27.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.015 |
60 |
|
[MG]N:9003 |
1 |
1 |
98 |
◊ |
Y |
x,y,z |
1_555 |
5 |
1 |
4031 |
27.5 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.015 |
| Average: |
27.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.015 |
| 32 |
61 |
|
[MG]N:9004 |
1 |
1 |
98 |
◊ |
M |
x,y,z |
1_555 |
3 |
3 |
57852 |
22.0 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.010 |
62 |
|
[MG]D:9002 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
4 |
3 |
57548 |
18.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.010 |
| Average: |
20.3 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.010 |
| 33 |
63 |
|
[ZN]N:7158 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
68761 |
19.3 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.163 |
64 |
|
N |
1 |
1 |
68748 |
f |
[ZN]D:7058 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
6.9 |
-2.7 |
0.000 |
0 |
0 |
0 |
0.163 |
| Average: |
13.1 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.163 |
| 34 |
65 |
|
D |
3 |
1 |
68761 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
13590 |
15.9 |
0.5 |
0.785 |
0 |
0 |
0 |
0.000 |
66 |
|
N |
3 |
2 |
68748 |
◊ |
K |
x,y,z |
1_555 |
3 |
1 |
13735 |
15.3 |
0.3 |
0.742 |
0 |
0 |
0 |
0.000 |
| Average: |
15.6 |
0.4 |
0.763 |
0 |
0 |
0 |
0.000 |
| 35 |
67 |
|
[APC]M:6999 |
4 |
1 |
603 |
f |
[MG]N:9003 |
x,y,z |
1_555 |
1 |
1 |
98 |
13.4 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.029 |
68 |
|
[APC]D:5999 |
4 |
1 |
606 |
f |
[MG]D:9001 |
x,y,z |
1_555 |
1 |
1 |
98 |
7.0 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.029 |
| Average: |
10.2 |
-0.8 |
0.000 |
0 |
0 |
0 |
0.029 |
| 36 |
69 |
|
[MG]N:9003 |
1 |
1 |
98 |
◊ |
M |
x,y,z |
1_555 |
1 |
1 |
57852 |
3.1 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.001 |
70 |
|
[MG]D:9001 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
57548 |
0.7 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.001 |
| Average: |
1.9 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
| 37 |
71 |
|
[MG]N:9004 |
1 |
1 |
98 |
f |
[MG]N:9003 |
x,y,z |
1_555 |
1 |
1 |
98 |
0.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.003 |
|