## |
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 |
|
C |
114 |
26 |
18423 |
◊ |
B |
x,y,z |
1_555 |
143 |
43 |
11490 |
1169.6 |
-1.8 |
0.681 |
25 |
7 |
0 |
1.000 |
2 |
|
I |
115 |
26 |
18218 |
◊ |
H |
x,y,z |
1_555 |
141 |
42 |
11149 |
1165.6 |
-1.5 |
0.680 |
28 |
10 |
0 |
1.000 |
Average: |
1167.6 |
-1.7 |
0.681 |
27 |
9 |
0 |
1.000 |
2 |
3 |
|
H |
104 |
29 |
11149 |
◊ |
L |
x,y,z |
1_555 |
87 |
21 |
4132 |
831.6 |
-11.6 |
0.091 |
10 |
1 |
1 |
1.000 |
4 |
|
B |
103 |
30 |
11490 |
◊ |
A |
x,y,z |
1_555 |
89 |
22 |
3847 |
827.6 |
-11.2 |
0.112 |
10 |
1 |
1 |
1.000 |
Average: |
829.6 |
-11.4 |
0.101 |
10 |
1 |
1 |
1.000 |
3 |
5 |
|
H |
77 |
27 |
11149 |
◊ |
B |
-x-1/2,y-1/2,-z |
4_445 |
78 |
27 |
11490 |
727.2 |
1.0 |
0.705 |
12 |
10 |
0 |
0.010 |
4 |
6 |
|
C |
69 |
19 |
18423 |
◊ |
B |
-x-1,y,-z |
2_455 |
75 |
20 |
11490 |
627.5 |
-2.9 |
0.509 |
10 |
0 |
0 |
0.021 |
7 |
|
I |
57 |
16 |
18218 |
◊ |
H |
-x,y,-z+1 |
2_556 |
58 |
17 |
11149 |
495.7 |
-4.6 |
0.321 |
6 |
0 |
0 |
0.021 |
Average: |
561.6 |
-3.7 |
0.415 |
8 |
0 |
0 |
0.021 |
5 |
8 |
|
[NTO]I:901 |
53 |
1 |
1398 |
◊ |
I |
x,y,z |
1_555 |
69 |
21 |
18218 |
560.7 |
-3.9 |
0.549 |
17 |
0 |
0 |
1.000 |
9 |
|
[NTO]C:902 |
53 |
1 |
1395 |
◊ |
C |
x,y,z |
1_555 |
68 |
21 |
18423 |
560.0 |
-3.9 |
0.550 |
17 |
0 |
0 |
1.000 |
Average: |
560.3 |
-3.9 |
0.550 |
17 |
0 |
0 |
1.000 |
6 |
10 |
|
[NAG]C:601 |
13 |
1 |
352 |
cf |
C |
x,y,z |
1_555 |
26 |
11 |
18423 |
185.0 |
2.8 |
0.284 |
1 |
0 |
0 |
0.000 |
11 |
|
[NAG]I:601 |
13 |
1 |
351 |
cf |
I |
x,y,z |
1_555 |
23 |
10 |
18218 |
168.7 |
3.9 |
0.409 |
1 |
0 |
0 |
0.000 |
Average: |
176.9 |
3.4 |
0.346 |
1 |
0 |
0 |
0.000 |
7 |
12 |
|
I |
18 |
9 |
18218 |
◊ |
L |
x-1/2,y+1/2,z |
3_455 |
14 |
4 |
4132 |
176.3 |
0.4 |
0.644 |
3 |
1 |
0 |
0.000 |
8 |
13 |
|
[NAG]C:602 |
12 |
1 |
355 |
f |
C |
x,y,z |
1_555 |
21 |
6 |
18423 |
139.1 |
1.6 |
0.195 |
0 |
0 |
0 |
0.000 |
14 |
|
[NAG]I:602 |
12 |
1 |
352 |
f |
I |
x,y,z |
1_555 |
17 |
6 |
18218 |
115.9 |
1.9 |
0.239 |
0 |
0 |
0 |
0.000 |
Average: |
127.5 |
1.8 |
0.217 |
0 |
0 |
0 |
0.000 |
9 |
15 |
|
H |
18 |
9 |
11149 |
◊ |
[NTO]I:901 |
-x,y-1,-z+1 |
2_546 |
14 |
1 |
1398 |
121.4 |
-1.1 |
0.382 |
0 |
0 |
0 |
0.087 |
16 |
|
[NTO]C:902 |
12 |
1 |
1395 |
◊ |
B |
-x-1,y-1,-z |
2_445 |
17 |
9 |
11490 |
113.6 |
-1.1 |
0.393 |
0 |
0 |
0 |
0.087 |
Average: |
117.5 |
-1.1 |
0.388 |
0 |
0 |
0 |
0.087 |
10 |
17 |
|
B |
14 |
4 |
11490 |
◊ |
B |
-x-1,y,-z |
2_455 |
14 |
4 |
11490 |
105.7 |
1.7 |
0.815 |
2 |
0 |
0 |
0.000 |
18 |
|
H |
13 |
4 |
11149 |
◊ |
H |
-x,y,-z+1 |
2_556 |
13 |
4 |
11149 |
102.2 |
1.9 |
0.832 |
2 |
0 |
0 |
0.000 |
Average: |
104.0 |
1.8 |
0.823 |
2 |
0 |
0 |
0.000 |
11 |
19 |
|
I |
11 |
3 |
18218 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
18423 |
97.2 |
0.3 |
0.699 |
0 |
0 |
0 |
0.000 |
12 |
20 |
|
[NAG]I:501 |
8 |
1 |
347 |
cf |
I |
x,y,z |
1_555 |
8 |
4 |
18218 |
77.3 |
2.0 |
0.359 |
0 |
0 |
0 |
0.000 |
21 |
|
[NAG]C:501 |
8 |
1 |
348 |
cf |
C |
x,y,z |
1_555 |
8 |
4 |
18423 |
75.7 |
2.2 |
0.361 |
0 |
0 |
0 |
0.000 |
Average: |
76.5 |
2.1 |
0.360 |
0 |
0 |
0 |
0.000 |
13 |
22 |
|
[NAG]C:602 |
9 |
1 |
355 |
cf |
[NAG]C:601 |
x,y,z |
1_555 |
6 |
1 |
352 |
71.0 |
1.9 |
0.096 |
0 |
0 |
0 |
0.000 |
23 |
|
[NAG]I:602 |
9 |
1 |
352 |
cf |
[NAG]I:601 |
x,y,z |
1_555 |
6 |
1 |
351 |
69.3 |
1.9 |
0.106 |
0 |
0 |
0 |
0.000 |
Average: |
70.2 |
1.9 |
0.101 |
0 |
0 |
0 |
0.000 |
14 |
24 |
|
[MAN]I:605 |
8 |
1 |
289 |
cf |
[BMA]I:603 |
x,y,z |
1_555 |
6 |
1 |
293 |
64.4 |
3.0 |
0.208 |
0 |
0 |
0 |
0.000 |
15 |
25 |
|
[BMA]I:603 |
6 |
1 |
293 |
cf |
[NAG]I:602 |
x,y,z |
1_555 |
6 |
1 |
352 |
62.1 |
1.1 |
0.102 |
0 |
0 |
0 |
0.000 |
16 |
26 |
|
[MAN]I:606 |
5 |
1 |
283 |
cf |
[MAN]I:605 |
x,y,z |
1_555 |
7 |
1 |
289 |
60.0 |
2.9 |
0.211 |
0 |
0 |
0 |
0.000 |
17 |
27 |
|
[MAN]I:604 |
4 |
1 |
291 |
cf |
[BMA]I:603 |
x,y,z |
1_555 |
5 |
1 |
293 |
54.3 |
2.1 |
0.319 |
0 |
0 |
0 |
0.000 |
18 |
28 |
|
L |
5 |
1 |
4132 |
◊ |
[NTO]I:901 |
-x,y-1,-z+1 |
2_546 |
8 |
1 |
1398 |
54.2 |
0.9 |
0.727 |
2 |
0 |
0 |
0.001 |
29 |
|
[NTO]C:902 |
6 |
1 |
1395 |
◊ |
A |
-x-1,y-1,-z |
2_445 |
5 |
1 |
3847 |
49.0 |
0.8 |
0.710 |
2 |
0 |
0 |
0.001 |
Average: |
51.6 |
0.9 |
0.719 |
2 |
0 |
0 |
0.001 |
19 |
30 |
|
[NAG]C:701 |
5 |
1 |
352 |
cf |
C |
x,y,z |
1_555 |
4 |
1 |
18423 |
54.0 |
1.7 |
0.459 |
0 |
0 |
0 |
0.000 |
31 |
|
[NAG]I:701 |
5 |
1 |
354 |
cf |
I |
x,y,z |
1_555 |
4 |
1 |
18218 |
53.7 |
1.7 |
0.454 |
0 |
0 |
0 |
0.000 |
Average: |
53.9 |
1.7 |
0.456 |
0 |
0 |
0 |
0.000 |
20 |
32 |
|
[CA]B:401 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
3 |
3 |
11490 |
42.7 |
-12.6 |
0.000 |
0 |
0 |
0 |
0.751 |
21 |
33 |
|
[BMA]I:603 |
5 |
1 |
293 |
f |
I |
x,y,z |
1_555 |
6 |
4 |
18218 |
39.2 |
0.5 |
0.292 |
0 |
0 |
0 |
0.000 |
22 |
34 |
|
[MAN]I:604 |
6 |
1 |
291 |
f |
[NAG]I:602 |
x,y,z |
1_555 |
4 |
1 |
352 |
38.5 |
1.9 |
0.266 |
0 |
0 |
0 |
0.000 |
23 |
35 |
|
H |
4 |
2 |
11149 |
◊ |
I |
-x,y-1,-z+1 |
2_546 |
2 |
1 |
18218 |
27.6 |
1.0 |
0.808 |
1 |
0 |
0 |
0.000 |
36 |
|
C |
2 |
1 |
18423 |
◊ |
B |
-x-1,y-1,-z |
2_445 |
4 |
2 |
11490 |
19.8 |
0.4 |
0.592 |
0 |
0 |
0 |
0.000 |
Average: |
23.7 |
0.7 |
0.700 |
1 |
0 |
0 |
0.000 |
24 |
37 |
|
[MAN]I:605 |
4 |
1 |
289 |
f |
[NAG]I:602 |
x,y,z |
1_555 |
2 |
1 |
352 |
26.0 |
0.9 |
0.241 |
0 |
0 |
0 |
0.000 |
25 |
38 |
|
I |
2 |
2 |
18218 |
◊ |
A |
-x-1,y,-z |
2_455 |
4 |
2 |
3847 |
17.3 |
-0.4 |
0.376 |
0 |
0 |
0 |
0.000 |
26 |
39 |
|
[NAG]I:501 |
4 |
1 |
347 |
◊ |
L |
x-1/2,y+1/2,z |
3_455 |
5 |
1 |
4132 |
16.6 |
0.1 |
0.310 |
0 |
0 |
0 |
0.000 |
27 |
40 |
|
I |
2 |
2 |
18218 |
◊ |
B |
-x-1,y,-z |
2_455 |
1 |
1 |
11490 |
13.2 |
0.4 |
0.846 |
0 |
0 |
0 |
0.000 |
28 |
41 |
|
[MAN]I:606 |
1 |
1 |
283 |
f |
[BMA]I:603 |
x,y,z |
1_555 |
1 |
1 |
293 |
10.7 |
0.5 |
0.234 |
0 |
0 |
0 |
0.000 |
29 |
42 |
|
C |
2 |
2 |
18423 |
◊ |
C |
-x-1,y,-z |
2_455 |
2 |
2 |
18423 |
9.8 |
0.2 |
0.759 |
0 |
0 |
0 |
0.000 |
43 |
|
I |
2 |
2 |
18218 |
◊ |
I |
-x,y,-z+1 |
2_556 |
2 |
2 |
18218 |
6.5 |
0.2 |
0.746 |
0 |
0 |
0 |
0.000 |
Average: |
8.2 |
0.2 |
0.752 |
0 |
0 |
0 |
0.000 |
30 |
44 |
|
[MAN]I:605 |
2 |
1 |
289 |
f |
I |
x,y,z |
1_555 |
2 |
2 |
18218 |
8.6 |
-0.2 |
0.322 |
0 |
0 |
0 |
0.048 |
31 |
45 |
|
[NAG]I:601 |
2 |
1 |
351 |
◊ |
A |
-x-1,y,-z |
2_455 |
2 |
2 |
3847 |
7.6 |
0.2 |
0.378 |
0 |
0 |
0 |
0.000 |
32 |
46 |
|
C |
1 |
1 |
18423 |
x |
C |
-x-1/2,y-1/2,-z |
4_445 |
2 |
1 |
18423 |
2.0 |
0.1 |
0.702 |
0 |
0 |
0 |
0.000 |
33 |
47 |
|
[MAN]I:604 |
1 |
1 |
291 |
f |
I |
x,y,z |
1_555 |
1 |
1 |
18218 |
0.1 |
-0.0 |
0.342 |
0 |
0 |
0 |
0.002 |
|