| ## |
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 |
428 |
103 |
24062 |
◊ |
A |
x,y,z |
1_555 |
423 |
102 |
24416 |
4155.5 |
-35.0 |
0.120 |
56 |
29 |
0 |
0.538 |
2 |
|
E |
419 |
103 |
24013 |
◊ |
D |
x,y,z |
1_555 |
425 |
105 |
24333 |
4120.4 |
-32.9 |
0.174 |
57 |
29 |
0 |
0.538 |
3 |
|
C |
420 |
104 |
23833 |
◊ |
C |
-x,y,-z+3 |
2_558 |
416 |
103 |
23833 |
4111.4 |
-34.4 |
0.230 |
57 |
28 |
0 |
0.538 |
| Average: |
4129.1 |
-34.1 |
0.175 |
57 |
29 |
0 |
0.538 |
| 2 |
4 |
|
[NDP]D:601 |
46 |
1 |
919 |
f |
D |
x,y,z |
1_555 |
76 |
32 |
24333 |
595.2 |
-4.4 |
0.431 |
23 |
0 |
0 |
0.255 |
5 |
|
[NDP]E:601 |
47 |
1 |
910 |
f |
E |
x,y,z |
1_555 |
70 |
31 |
24013 |
592.0 |
-3.6 |
0.476 |
26 |
0 |
0 |
0.255 |
6 |
|
[NDP]A:601 |
47 |
1 |
915 |
f |
A |
x,y,z |
1_555 |
75 |
31 |
24416 |
589.3 |
-4.2 |
0.418 |
23 |
0 |
0 |
0.255 |
7 |
|
[NDP]B:601 |
46 |
1 |
913 |
f |
B |
x,y,z |
1_555 |
73 |
31 |
24062 |
588.8 |
-4.2 |
0.429 |
23 |
0 |
0 |
0.255 |
8 |
|
[NDP]C:601 |
47 |
1 |
916 |
f |
C |
x,y,z |
1_555 |
72 |
31 |
23833 |
587.2 |
-4.5 |
0.443 |
23 |
0 |
0 |
0.255 |
| Average: |
590.5 |
-4.2 |
0.439 |
24 |
0 |
0 |
0.255 |
| 3 |
9 |
|
[OFD]E:603 |
31 |
1 |
671 |
f |
E |
x,y,z |
1_555 |
69 |
26 |
24013 |
451.5 |
1.1 |
0.240 |
5 |
0 |
0 |
0.028 |
10 |
|
[OFD]A:603 |
32 |
1 |
672 |
f |
A |
x,y,z |
1_555 |
67 |
26 |
24416 |
451.3 |
0.6 |
0.179 |
5 |
0 |
0 |
0.028 |
11 |
|
[OFD]C:603 |
31 |
1 |
672 |
f |
C |
x,y,z |
1_555 |
69 |
26 |
23833 |
449.3 |
1.2 |
0.278 |
5 |
0 |
0 |
0.028 |
12 |
|
[OFD]B:603 |
31 |
1 |
670 |
f |
B |
x,y,z |
1_555 |
67 |
26 |
24062 |
448.0 |
0.5 |
0.187 |
5 |
0 |
0 |
0.028 |
13 |
|
[OFD]D:603 |
32 |
1 |
668 |
f |
D |
x,y,z |
1_555 |
67 |
26 |
24333 |
446.4 |
1.0 |
0.227 |
6 |
0 |
0 |
0.028 |
| Average: |
449.3 |
0.9 |
0.222 |
5 |
0 |
0 |
0.028 |
| 4 |
14 |
|
[MTX]E:604 |
33 |
1 |
697 |
f |
E |
x,y,z |
1_555 |
52 |
22 |
24013 |
439.6 |
-1.1 |
0.235 |
8 |
0 |
0 |
0.088 |
15 |
|
[MTX]A:604 |
33 |
1 |
695 |
f |
A |
x,y,z |
1_555 |
55 |
22 |
24416 |
437.8 |
-1.2 |
0.237 |
9 |
0 |
0 |
0.088 |
16 |
|
[MTX]C:604 |
33 |
1 |
695 |
f |
C |
x,y,z |
1_555 |
51 |
21 |
23833 |
433.0 |
-1.2 |
0.258 |
8 |
0 |
0 |
0.088 |
17 |
|
[MTX]B:604 |
33 |
1 |
693 |
f |
B |
x,y,z |
1_555 |
52 |
21 |
24062 |
431.0 |
-0.9 |
0.250 |
10 |
0 |
0 |
0.088 |
18 |
|
[MTX]D:604 |
33 |
1 |
688 |
f |
D |
x,y,z |
1_555 |
51 |
22 |
24333 |
429.0 |
-1.0 |
0.253 |
9 |
0 |
0 |
0.088 |
| Average: |
434.1 |
-1.1 |
0.247 |
9 |
0 |
0 |
0.088 |
| 5 |
19 |
|
A |
36 |
13 |
24416 |
x |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
39 |
10 |
24416 |
309.0 |
-0.4 |
0.613 |
2 |
0 |
0 |
0.000 |
20 |
|
D |
38 |
10 |
24333 |
x |
B |
x,y,z |
1_555 |
37 |
13 |
24062 |
308.0 |
-0.2 |
0.617 |
2 |
0 |
0 |
0.000 |
| Average: |
308.5 |
-0.3 |
0.615 |
2 |
0 |
0 |
0.000 |
| 6 |
21 |
|
[UFP]C:602 |
21 |
1 |
462 |
f |
C |
x,y,z |
1_555 |
39 |
18 |
23833 |
246.0 |
-1.9 |
0.554 |
9 |
0 |
0 |
0.100 |
22 |
|
[UFP]B:602 |
21 |
1 |
461 |
f |
B |
x,y,z |
1_555 |
40 |
19 |
24062 |
244.6 |
-1.8 |
0.549 |
9 |
0 |
0 |
0.100 |
23 |
|
[UFP]E:602 |
20 |
1 |
456 |
f |
E |
x,y,z |
1_555 |
39 |
18 |
24013 |
243.8 |
-1.5 |
0.575 |
9 |
0 |
0 |
0.100 |
24 |
|
[UFP]D:602 |
21 |
1 |
458 |
f |
D |
x,y,z |
1_555 |
39 |
18 |
24333 |
241.8 |
-1.7 |
0.563 |
10 |
0 |
0 |
0.100 |
25 |
|
[UFP]A:602 |
21 |
1 |
458 |
f |
A |
x,y,z |
1_555 |
36 |
17 |
24416 |
241.8 |
-1.6 |
0.554 |
10 |
0 |
0 |
0.100 |
| Average: |
243.6 |
-1.7 |
0.559 |
9 |
0 |
0 |
0.100 |
| 7 |
26 |
|
E |
27 |
9 |
24013 |
◊ |
C |
x,y,z |
1_555 |
22 |
4 |
23833 |
209.9 |
0.6 |
0.712 |
3 |
1 |
0 |
0.000 |
27 |
|
D |
27 |
9 |
24333 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
22 |
4 |
24416 |
208.3 |
0.6 |
0.706 |
3 |
1 |
0 |
0.000 |
28 |
|
D |
21 |
4 |
24333 |
◊ |
C |
-x,y,-z+3 |
2_558 |
27 |
9 |
23833 |
207.5 |
0.5 |
0.719 |
3 |
1 |
0 |
0.000 |
29 |
|
E |
22 |
4 |
24013 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
27 |
9 |
24062 |
207.4 |
0.6 |
0.704 |
3 |
1 |
0 |
0.000 |
30 |
|
B |
22 |
4 |
24062 |
◊ |
A |
-x,y,-z+2 |
2_557 |
28 |
9 |
24416 |
206.7 |
0.6 |
0.704 |
3 |
1 |
0 |
0.000 |
| Average: |
207.9 |
0.6 |
0.709 |
3 |
1 |
0 |
0.000 |
| 8 |
31 |
|
B |
17 |
10 |
24062 |
◊ |
B |
-x,y,-z+2 |
2_557 |
17 |
10 |
24062 |
123.7 |
2.8 |
0.914 |
4 |
0 |
0 |
0.000 |
32 |
|
D |
15 |
8 |
24333 |
◊ |
C |
x,y,z |
1_555 |
15 |
8 |
23833 |
111.9 |
2.4 |
0.907 |
4 |
0 |
0 |
0.000 |
33 |
|
E |
15 |
8 |
24013 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
14 |
7 |
24416 |
109.9 |
2.5 |
0.906 |
4 |
0 |
0 |
0.000 |
| Average: |
115.2 |
2.6 |
0.909 |
4 |
0 |
0 |
0.000 |
| 9 |
34 |
|
[UFP]D:602 |
9 |
1 |
458 |
◊ |
E |
x,y,z |
1_555 |
13 |
3 |
24013 |
89.4 |
-2.5 |
0.347 |
3 |
0 |
0 |
0.079 |
35 |
|
[UFP]C:602 |
8 |
1 |
462 |
◊ |
C |
-x,y,-z+3 |
2_558 |
14 |
3 |
23833 |
89.3 |
-2.5 |
0.319 |
5 |
0 |
0 |
0.079 |
36 |
|
[UFP]A:602 |
8 |
1 |
458 |
◊ |
B |
x,y,z |
1_555 |
14 |
3 |
24062 |
88.9 |
-2.6 |
0.307 |
3 |
0 |
0 |
0.079 |
37 |
|
[UFP]B:602 |
9 |
1 |
461 |
◊ |
A |
x,y,z |
1_555 |
13 |
3 |
24416 |
88.3 |
-2.6 |
0.346 |
2 |
0 |
0 |
0.079 |
38 |
|
[UFP]E:602 |
9 |
1 |
456 |
◊ |
D |
x,y,z |
1_555 |
13 |
3 |
24333 |
87.7 |
-2.6 |
0.343 |
2 |
0 |
0 |
0.079 |
| Average: |
88.7 |
-2.6 |
0.332 |
3 |
0 |
0 |
0.079 |
| 10 |
39 |
|
[OFD]B:603 |
13 |
1 |
670 |
f |
[UFP]B:602 |
x,y,z |
1_555 |
14 |
1 |
461 |
81.3 |
3.2 |
0.553 |
1 |
0 |
0 |
0.000 |
40 |
|
[OFD]C:603 |
13 |
1 |
672 |
f |
[UFP]C:602 |
x,y,z |
1_555 |
14 |
1 |
462 |
80.8 |
3.2 |
0.546 |
1 |
0 |
0 |
0.000 |
41 |
|
[OFD]A:603 |
13 |
1 |
672 |
f |
[UFP]A:602 |
x,y,z |
1_555 |
13 |
1 |
458 |
80.1 |
3.2 |
0.534 |
1 |
0 |
0 |
0.000 |
42 |
|
[OFD]D:603 |
13 |
1 |
668 |
f |
[UFP]D:602 |
x,y,z |
1_555 |
13 |
1 |
458 |
80.1 |
3.2 |
0.550 |
1 |
0 |
0 |
0.000 |
43 |
|
[OFD]E:603 |
13 |
1 |
671 |
f |
[UFP]E:602 |
x,y,z |
1_555 |
13 |
1 |
456 |
79.0 |
3.1 |
0.532 |
1 |
0 |
0 |
0.000 |
| Average: |
80.3 |
3.2 |
0.543 |
1 |
0 |
0 |
0.000 |
| 11 |
44 |
|
[MTX]D:604 |
13 |
1 |
688 |
f |
[NDP]D:601 |
x,y,z |
1_555 |
10 |
1 |
919 |
76.8 |
0.6 |
0.464 |
0 |
0 |
0 |
0.000 |
45 |
|
[MTX]C:604 |
13 |
1 |
695 |
f |
[NDP]C:601 |
x,y,z |
1_555 |
10 |
1 |
916 |
75.3 |
0.6 |
0.465 |
0 |
0 |
0 |
0.000 |
46 |
|
[MTX]A:604 |
13 |
1 |
695 |
f |
[NDP]A:601 |
x,y,z |
1_555 |
10 |
1 |
915 |
74.6 |
0.6 |
0.453 |
0 |
0 |
0 |
0.000 |
47 |
|
[MTX]E:604 |
13 |
1 |
697 |
f |
[NDP]E:601 |
x,y,z |
1_555 |
10 |
1 |
910 |
73.9 |
0.8 |
0.479 |
0 |
0 |
0 |
0.000 |
48 |
|
[MTX]B:604 |
13 |
1 |
693 |
f |
[NDP]B:601 |
x,y,z |
1_555 |
10 |
1 |
913 |
73.7 |
0.6 |
0.465 |
0 |
0 |
0 |
0.000 |
| Average: |
74.8 |
0.6 |
0.465 |
0 |
0 |
0 |
0.000 |
| 12 |
49 |
|
[NDP]B:601 |
2 |
1 |
913 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
24333 |
12.7 |
0.1 |
0.536 |
0 |
0 |
0 |
0.000 |
50 |
|
[NDP]A:601 |
2 |
1 |
915 |
◊ |
A |
-x+1/2,y-1/2,-z+2 |
4_547 |
3 |
1 |
24416 |
11.0 |
0.0 |
0.532 |
0 |
0 |
0 |
0.000 |
| Average: |
11.8 |
0.0 |
0.534 |
0 |
0 |
0 |
0.000 |
| 13 |
51 |
|
[OFD]C:603 |
1 |
1 |
672 |
◊ |
C |
-x,y,-z+3 |
2_558 |
1 |
1 |
23833 |
3.4 |
0.1 |
0.598 |
0 |
0 |
0 |
0.000 |
|