| ## |
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 |
131 |
37 |
12456 |
◊ |
A |
x,y,z |
1_555 |
109 |
25 |
3110 |
1094.8 |
-8.6 |
0.435 |
23 |
10 |
1 |
0.285 |
2 |
|
H |
124 |
34 |
12403 |
◊ |
G |
x,y,z |
1_555 |
99 |
22 |
3010 |
1029.7 |
-9.9 |
0.358 |
21 |
8 |
1 |
0.285 |
| Average: |
1062.2 |
-9.2 |
0.396 |
22 |
9 |
1 |
0.285 |
| 2 |
3 |
|
[0G6]B:707 |
26 |
1 |
665 |
cf |
B |
x,y,z |
1_555 |
73 |
27 |
12456 |
457.7 |
-1.5 |
0.324 |
9 |
0 |
0 |
0.085 |
4 |
|
[0G6]H:707 |
26 |
1 |
669 |
cf |
H |
x,y,z |
1_555 |
74 |
27 |
12403 |
444.4 |
-1.7 |
0.330 |
7 |
0 |
0 |
0.085 |
| Average: |
451.0 |
-1.6 |
0.327 |
8 |
0 |
0 |
0.085 |
| 3 |
5 |
|
H |
43 |
13 |
12403 |
◊ |
B |
x-1,y-1,z |
1_445 |
53 |
13 |
12456 |
420.1 |
-0.8 |
0.443 |
6 |
4 |
0 |
0.000 |
6 |
|
H |
44 |
11 |
12403 |
◊ |
B |
x,y-1,z |
1_545 |
44 |
13 |
12456 |
382.8 |
-1.3 |
0.393 |
4 |
1 |
0 |
0.000 |
| Average: |
401.5 |
-1.1 |
0.418 |
5 |
3 |
0 |
0.000 |
| 4 |
7 |
|
C |
41 |
7 |
1155 |
◊ |
B |
x,y,z |
1_555 |
47 |
13 |
12456 |
415.0 |
-2.4 |
0.658 |
5 |
4 |
0 |
0.008 |
| 5 |
8 |
|
H |
42 |
14 |
12403 |
◊ |
B |
x,y,z |
1_555 |
40 |
13 |
12456 |
409.6 |
7.5 |
0.943 |
11 |
3 |
0 |
0.000 |
| 6 |
9 |
|
I |
35 |
7 |
1230 |
◊ |
H |
x,y,z |
1_555 |
51 |
14 |
12403 |
406.5 |
-2.8 |
0.591 |
6 |
7 |
0 |
0.090 |
| 7 |
10 |
|
I |
31 |
7 |
1230 |
◊ |
B |
x-1,y-1,z |
1_445 |
37 |
10 |
12456 |
307.0 |
-5.0 |
0.317 |
1 |
0 |
0 |
0.085 |
| 8 |
11 |
|
H |
33 |
8 |
12403 |
◊ |
C |
x,y-1,z |
1_545 |
30 |
6 |
1155 |
277.1 |
-5.1 |
0.237 |
1 |
0 |
0 |
0.083 |
| 9 |
12 |
|
B |
27 |
8 |
12456 |
◊ |
G |
x,y,z-1 |
1_554 |
27 |
8 |
3010 |
253.7 |
-2.3 |
0.342 |
3 |
0 |
0 |
0.038 |
13 |
|
A |
26 |
8 |
3110 |
◊ |
H |
x,y,z-1 |
1_554 |
26 |
8 |
12403 |
247.9 |
-2.5 |
0.308 |
3 |
0 |
0 |
0.038 |
| Average: |
250.8 |
-2.4 |
0.325 |
3 |
0 |
0 |
0.038 |
| 10 |
14 |
|
[MPD]B:901 |
7 |
1 |
276 |
f |
B |
x,y,z |
1_555 |
30 |
11 |
12456 |
176.5 |
-10.1 |
0.693 |
0 |
0 |
0 |
0.156 |
| 11 |
15 |
|
H |
14 |
3 |
12403 |
◊ |
B |
x-1,y,z |
1_455 |
10 |
6 |
12456 |
116.2 |
2.9 |
0.820 |
0 |
3 |
0 |
0.000 |
| 12 |
16 |
|
[NAG]B:1416 |
10 |
1 |
361 |
cf |
B |
x,y,z |
1_555 |
10 |
5 |
12456 |
113.8 |
2.2 |
0.265 |
0 |
0 |
0 |
0.000 |
17 |
|
[NAG]H:1416 |
9 |
1 |
359 |
cf |
H |
x,y,z |
1_555 |
12 |
5 |
12403 |
105.9 |
2.5 |
0.390 |
1 |
0 |
0 |
0.000 |
| Average: |
109.9 |
2.3 |
0.328 |
1 |
0 |
0 |
0.000 |
| 13 |
18 |
|
H |
11 |
4 |
12403 |
x |
H |
x-1,y,z |
1_455 |
6 |
1 |
12403 |
102.9 |
1.9 |
0.854 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
16 |
5 |
12456 |
x |
B |
x-1,y,z |
1_455 |
5 |
1 |
12456 |
86.7 |
1.0 |
0.715 |
1 |
0 |
0 |
0.000 |
| Average: |
94.8 |
1.5 |
0.785 |
1 |
0 |
0 |
0.000 |
| 14 |
20 |
|
[NA]H:801 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
20 |
11 |
12403 |
82.5 |
-11.5 |
0.000 |
0 |
0 |
0 |
0.176 |
21 |
|
[NA]B:802 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
19 |
11 |
12456 |
82.0 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.176 |
| Average: |
82.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.176 |
| 15 |
22 |
|
[CL]B:852 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
12456 |
74.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.175 |
| 16 |
23 |
|
[NA]H:806 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
13 |
6 |
12403 |
71.3 |
-9.1 |
0.000 |
0 |
0 |
0 |
0.137 |
| 17 |
24 |
|
[NA]B:805 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
12456 |
70.4 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.176 |
| 18 |
25 |
|
[NA]H:803 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
16 |
7 |
12403 |
70.4 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.167 |
| 19 |
26 |
|
[NA]A:809 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
3110 |
70.1 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.535 |
| 20 |
27 |
|
A |
10 |
3 |
3110 |
◊ |
G |
x,y,z-1 |
1_554 |
10 |
3 |
3010 |
65.5 |
-1.2 |
0.514 |
0 |
0 |
0 |
0.067 |
| 21 |
28 |
|
[CL]B:850 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
12456 |
63.7 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.147 |
| 22 |
29 |
|
[0G6]H:707 |
8 |
1 |
669 |
◊ |
C |
x,y-1,z |
1_545 |
5 |
2 |
1155 |
62.2 |
-1.8 |
0.317 |
0 |
0 |
0 |
0.026 |
| 23 |
30 |
|
I |
5 |
2 |
1230 |
◊ |
[0G6]B:707 |
x-1,y-1,z |
1_445 |
8 |
1 |
665 |
61.0 |
-1.8 |
0.315 |
0 |
0 |
0 |
0.028 |
| 24 |
31 |
|
[NA]H:808 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
12 |
7 |
12403 |
56.7 |
-7.6 |
0.000 |
0 |
0 |
0 |
0.114 |
| 25 |
32 |
|
H |
8 |
2 |
12403 |
f |
[CL]B:851 |
x-1,y-1,z |
1_445 |
1 |
1 |
125 |
49.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.092 |
| 26 |
33 |
|
[NA]H:807 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
7 |
2 |
12403 |
48.8 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.086 |
| 27 |
34 |
|
[CL]B:851 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
3 |
12456 |
43.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.000 |
| 28 |
35 |
|
A |
7 |
4 |
3110 |
◊ |
[NA]G:804 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
33.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.398 |
36 |
|
[NA]G:804 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
6 |
3 |
3010 |
33.7 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.398 |
| Average: |
33.8 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.398 |
| 29 |
37 |
|
[NA]H:807 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
3010 |
30.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.042 |
| 30 |
38 |
|
[0G6]H:707 |
3 |
1 |
669 |
f |
[NA]H:808 |
x,y,z |
1_555 |
1 |
1 |
125 |
30.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.053 |
| 31 |
39 |
|
[CL]B:850 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
12403 |
28.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.000 |
| 32 |
40 |
|
B |
3 |
1 |
12456 |
◊ |
[NA]G:804 |
x,y,z-1 |
1_554 |
1 |
1 |
125 |
26.2 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.024 |
41 |
|
[NA]G:804 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
12403 |
25.4 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.024 |
| Average: |
25.8 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.024 |
| 33 |
42 |
|
[NA]H:808 |
1 |
1 |
125 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
1155 |
17.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.028 |
| 34 |
43 |
|
I |
3 |
1 |
1230 |
◊ |
C |
x-1,y-1,z |
1_445 |
1 |
1 |
1155 |
14.3 |
0.0 |
0.720 |
0 |
0 |
0 |
0.000 |
| 35 |
44 |
|
B |
2 |
2 |
12456 |
◊ |
H |
x,y,z-1 |
1_554 |
2 |
2 |
12403 |
14.1 |
-0.4 |
0.282 |
0 |
0 |
0 |
0.002 |
| 36 |
45 |
|
I |
2 |
1 |
1230 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
1155 |
13.7 |
0.2 |
0.748 |
0 |
0 |
0 |
0.000 |
| 37 |
46 |
|
[0G6]H:707 |
2 |
1 |
669 |
◊ |
B |
x,y-1,z |
1_545 |
1 |
1 |
12456 |
11.9 |
0.2 |
0.753 |
0 |
0 |
0 |
0.000 |
| 38 |
47 |
|
I |
1 |
1 |
1230 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
1 |
12403 |
8.5 |
0.3 |
0.791 |
0 |
0 |
0 |
0.000 |
| 39 |
48 |
|
[NAG]B:1416 |
1 |
1 |
361 |
f |
[NA]B:805 |
x,y,z |
1_555 |
1 |
1 |
125 |
5.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.006 |
| 40 |
49 |
|
[NA]H:807 |
1 |
1 |
125 |
◊ |
H |
x-1,y,z |
1_455 |
2 |
1 |
12403 |
2.5 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
|