| ## |
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 |
95 |
31 |
44407 |
◊ |
A |
-x+2,y-1/2,-z |
2_745 |
101 |
32 |
44558 |
928.9 |
2.3 |
0.932 |
15 |
8 |
0 |
0.000 |
2 |
|
D |
102 |
32 |
44544 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
94 |
31 |
44404 |
923.5 |
1.2 |
0.891 |
15 |
8 |
0 |
0.000 |
| Average: |
926.2 |
1.7 |
0.911 |
15 |
8 |
0 |
0.000 |
| 2 |
3 |
|
D |
69 |
18 |
44544 |
◊ |
C |
-x,y-1/2,-z+1 |
2_546 |
84 |
24 |
44404 |
672.5 |
-0.3 |
0.834 |
7 |
4 |
0 |
0.000 |
4 |
|
B |
83 |
24 |
44407 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
71 |
18 |
44558 |
671.0 |
-0.2 |
0.844 |
7 |
4 |
0 |
0.000 |
| Average: |
671.8 |
-0.2 |
0.839 |
7 |
4 |
0 |
0.000 |
| 3 |
5 |
|
[TG1]A:1003 |
42 |
1 |
920 |
f |
A |
x,y,z |
1_555 |
80 |
25 |
44558 |
644.1 |
-8.7 |
0.212 |
1 |
0 |
0 |
0.022 |
6 |
|
[TG1]D:1303 |
42 |
1 |
920 |
f |
D |
x,y,z |
1_555 |
81 |
25 |
44544 |
643.8 |
-8.7 |
0.216 |
1 |
0 |
0 |
0.022 |
7 |
|
[TG1]C:1203 |
41 |
1 |
908 |
f |
C |
x,y,z |
1_555 |
73 |
24 |
44404 |
629.2 |
-8.5 |
0.198 |
1 |
0 |
0 |
0.022 |
8 |
|
[TG1]B:1103 |
41 |
1 |
907 |
f |
B |
x,y,z |
1_555 |
73 |
24 |
44407 |
629.2 |
-8.5 |
0.197 |
1 |
0 |
0 |
0.022 |
| Average: |
636.6 |
-8.6 |
0.206 |
1 |
0 |
0 |
0.022 |
| 4 |
9 |
|
D |
40 |
12 |
44544 |
◊ |
C |
x,y,z |
1_555 |
41 |
14 |
44404 |
396.0 |
-5.6 |
0.263 |
1 |
0 |
0 |
0.000 |
10 |
|
B |
41 |
14 |
44407 |
◊ |
A |
x,y,z |
1_555 |
40 |
12 |
44558 |
393.0 |
-5.6 |
0.263 |
1 |
0 |
0 |
0.000 |
| Average: |
394.5 |
-5.6 |
0.263 |
1 |
0 |
0 |
0.000 |
| 5 |
11 |
|
[ADP]D:1302 |
27 |
1 |
559 |
f |
D |
x,y,z |
1_555 |
52 |
20 |
44544 |
340.4 |
-2.1 |
0.791 |
3 |
0 |
0 |
0.008 |
12 |
|
[ADP]A:1002 |
27 |
1 |
560 |
f |
A |
x,y,z |
1_555 |
51 |
20 |
44558 |
340.2 |
-2.1 |
0.788 |
3 |
0 |
0 |
0.008 |
13 |
|
[ADP]C:1202 |
23 |
1 |
556 |
f |
C |
x,y,z |
1_555 |
46 |
18 |
44404 |
295.3 |
-2.1 |
0.745 |
1 |
0 |
0 |
0.008 |
14 |
|
[ADP]B:1102 |
23 |
1 |
557 |
f |
B |
x,y,z |
1_555 |
46 |
18 |
44407 |
294.9 |
-2.1 |
0.743 |
1 |
0 |
0 |
0.008 |
| Average: |
317.7 |
-2.1 |
0.767 |
2 |
0 |
0 |
0.008 |
| 6 |
15 |
|
A |
45 |
12 |
44558 |
◊ |
C |
x,y,z-1 |
1_554 |
31 |
9 |
44404 |
301.3 |
0.6 |
0.838 |
1 |
1 |
0 |
0.000 |
16 |
|
D |
46 |
12 |
44544 |
◊ |
B |
x-1,y,z+1 |
1_456 |
31 |
9 |
44407 |
298.3 |
0.6 |
0.841 |
1 |
1 |
0 |
0.000 |
| Average: |
299.8 |
0.6 |
0.840 |
1 |
1 |
0 |
0.000 |
| 7 |
17 |
|
B |
29 |
11 |
44407 |
◊ |
C |
-x+1,y-1/2,-z+1 |
2_646 |
24 |
9 |
44404 |
244.3 |
1.3 |
0.812 |
6 |
5 |
0 |
0.000 |
18 |
|
B |
24 |
9 |
44407 |
◊ |
C |
-x+1,y-1/2,-z |
2_645 |
29 |
11 |
44404 |
243.9 |
1.3 |
0.815 |
6 |
5 |
0 |
0.000 |
| Average: |
244.1 |
1.3 |
0.813 |
6 |
5 |
0 |
0.000 |
| 8 |
19 |
|
A |
27 |
9 |
44558 |
◊ |
D |
x,y,z-1 |
1_554 |
24 |
8 |
44544 |
239.8 |
0.0 |
0.745 |
2 |
1 |
0 |
0.000 |
20 |
|
D |
27 |
9 |
44544 |
◊ |
A |
x-1,y,z+1 |
1_456 |
24 |
8 |
44558 |
239.6 |
-0.0 |
0.744 |
2 |
1 |
0 |
0.000 |
| Average: |
239.7 |
-0.0 |
0.744 |
2 |
1 |
0 |
0.000 |
| 9 |
21 |
|
C |
21 |
5 |
44404 |
◊ |
A |
x-1,y,z+1 |
1_456 |
25 |
8 |
44558 |
194.9 |
0.9 |
0.824 |
2 |
4 |
0 |
0.000 |
22 |
|
B |
21 |
5 |
44407 |
◊ |
D |
x,y,z-1 |
1_554 |
25 |
8 |
44544 |
193.5 |
0.9 |
0.827 |
2 |
4 |
0 |
0.000 |
| Average: |
194.2 |
0.9 |
0.825 |
2 |
4 |
0 |
0.000 |
| 10 |
23 |
|
C |
15 |
5 |
44404 |
◊ |
B |
x-1,y,z |
1_455 |
14 |
2 |
44407 |
123.4 |
-0.1 |
0.716 |
3 |
0 |
0 |
0.000 |
24 |
|
C |
14 |
2 |
44404 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
44407 |
122.2 |
-0.1 |
0.718 |
3 |
0 |
0 |
0.000 |
| Average: |
122.8 |
-0.1 |
0.717 |
3 |
0 |
0 |
0.000 |
| 11 |
25 |
|
[MF4]A:998 |
4 |
1 |
214 |
f |
A |
x,y,z |
1_555 |
13 |
9 |
44558 |
102.1 |
3.6 |
0.805 |
8 |
0 |
0 |
0.000 |
26 |
|
[MF4]D:1298 |
4 |
1 |
214 |
f |
D |
x,y,z |
1_555 |
13 |
9 |
44544 |
101.7 |
3.6 |
0.807 |
7 |
0 |
0 |
0.000 |
| Average: |
101.9 |
3.6 |
0.806 |
8 |
0 |
0 |
0.000 |
| 12 |
27 |
|
[MF4]C:1198 |
4 |
1 |
214 |
f |
C |
x,y,z |
1_555 |
16 |
11 |
44404 |
101.1 |
3.5 |
0.778 |
7 |
0 |
0 |
0.000 |
28 |
|
[MF4]B:1098 |
4 |
1 |
214 |
f |
B |
x,y,z |
1_555 |
15 |
10 |
44407 |
100.4 |
3.6 |
0.818 |
8 |
0 |
0 |
0.000 |
| Average: |
100.7 |
3.5 |
0.798 |
8 |
0 |
0 |
0.000 |
| 13 |
29 |
|
[NA]A:1000 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
9 |
5 |
44558 |
67.9 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.031 |
30 |
|
[NA]D:1300 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
44544 |
67.6 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.031 |
31 |
|
[NA]B:1100 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
5 |
4 |
44407 |
63.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.031 |
32 |
|
[NA]C:1200 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
5 |
4 |
44404 |
63.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.031 |
| Average: |
65.6 |
-11.8 |
0.000 |
0 |
0 |
0 |
0.031 |
| 14 |
33 |
|
[MG]A:997 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
12 |
6 |
44558 |
43.4 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.018 |
34 |
|
[MG]D:997 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
12 |
6 |
44544 |
42.8 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.018 |
35 |
|
[MG]C:997 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
44404 |
42.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.018 |
36 |
|
[MG]B:997 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
44407 |
42.1 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.018 |
| Average: |
42.7 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.018 |
| 15 |
37 |
|
[ADP]D:1302 |
6 |
1 |
559 |
f |
[MG]D:1301 |
x,y,z |
1_555 |
1 |
1 |
98 |
43.1 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.017 |
38 |
|
[ADP]A:1002 |
6 |
1 |
560 |
f |
[MG]A:1001 |
x,y,z |
1_555 |
1 |
1 |
98 |
43.0 |
-7.2 |
0.000 |
0 |
0 |
0 |
0.017 |
39 |
|
[ADP]B:1102 |
7 |
1 |
557 |
f |
[MG]B:1101 |
x,y,z |
1_555 |
1 |
1 |
98 |
39.6 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.017 |
40 |
|
[ADP]C:1202 |
7 |
1 |
556 |
f |
[MG]C:1201 |
x,y,z |
1_555 |
1 |
1 |
98 |
39.4 |
-6.4 |
0.000 |
0 |
0 |
0 |
0.017 |
| Average: |
41.3 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.017 |
| 16 |
41 |
|
C |
3 |
1 |
44404 |
◊ |
A |
x-1,y,z |
1_455 |
6 |
2 |
44558 |
28.0 |
-0.1 |
0.602 |
0 |
0 |
0 |
0.000 |
42 |
|
D |
6 |
2 |
44544 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
44407 |
27.9 |
-0.1 |
0.604 |
0 |
0 |
0 |
0.000 |
| Average: |
27.9 |
-0.1 |
0.603 |
0 |
0 |
0 |
0.000 |
| 17 |
43 |
|
[MG]D:1301 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
2 |
2 |
44544 |
27.7 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.005 |
44 |
|
[MG]A:1001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
2 |
2 |
44558 |
27.6 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.005 |
45 |
|
[MG]C:1201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
44404 |
11.2 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.005 |
46 |
|
[MG]B:1101 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
44407 |
10.6 |
-1.3 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
19.3 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.005 |
| 18 |
47 |
|
[MF4]B:1098 |
1 |
1 |
214 |
f |
[MG]B:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.3 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.005 |
48 |
|
[MF4]A:998 |
1 |
1 |
214 |
f |
[MG]A:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.005 |
49 |
|
[MF4]D:1298 |
1 |
1 |
214 |
f |
[MG]D:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
26.1 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.005 |
50 |
|
[MF4]C:1198 |
1 |
1 |
214 |
f |
[MG]C:997 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.9 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.005 |
| Average: |
26.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.005 |
| 19 |
51 |
|
D |
3 |
2 |
44544 |
◊ |
A |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
2 |
44558 |
23.8 |
-0.1 |
0.492 |
0 |
0 |
0 |
0.000 |
52 |
|
D |
2 |
2 |
44544 |
◊ |
A |
-x+1,y-1/2,-z |
2_645 |
3 |
2 |
44558 |
23.8 |
-0.1 |
0.498 |
0 |
0 |
0 |
0.000 |
| Average: |
23.8 |
-0.1 |
0.495 |
0 |
0 |
0 |
0.000 |
|