| ## |
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 |
|
H |
424 |
114 |
24284 |
◊ |
G |
x,y,z |
1_555 |
421 |
113 |
23850 |
4180.1 |
-42.2 |
0.133 |
67 |
26 |
0 |
0.752 |
2 |
|
B |
424 |
114 |
24414 |
◊ |
A |
x,y,z |
1_555 |
422 |
113 |
23716 |
4170.4 |
-43.8 |
0.114 |
66 |
26 |
0 |
0.752 |
3 |
|
F |
428 |
114 |
24241 |
◊ |
E |
x,y,z |
1_555 |
417 |
115 |
23951 |
4169.3 |
-43.4 |
0.101 |
66 |
28 |
0 |
0.752 |
4 |
|
D |
421 |
114 |
24337 |
◊ |
C |
x,y,z |
1_555 |
414 |
114 |
24096 |
4153.1 |
-43.1 |
0.099 |
66 |
28 |
0 |
0.752 |
| Average: |
4168.2 |
-43.1 |
0.112 |
66 |
27 |
0 |
0.752 |
| 2 |
5 |
|
L |
112 |
25 |
3938 |
◊ |
E |
x,y,z |
1_555 |
149 |
39 |
23951 |
1222.8 |
-16.6 |
0.621 |
7 |
1 |
0 |
0.675 |
6 |
|
J |
106 |
24 |
3848 |
◊ |
G |
x,y,z |
1_555 |
143 |
37 |
23850 |
1209.9 |
-17.1 |
0.584 |
4 |
0 |
0 |
0.675 |
7 |
|
I |
105 |
25 |
3838 |
◊ |
A |
x,y,z |
1_555 |
140 |
37 |
23716 |
1167.9 |
-17.6 |
0.567 |
3 |
1 |
0 |
0.675 |
8 |
|
K |
106 |
24 |
3846 |
◊ |
C |
x,y,z |
1_555 |
135 |
36 |
24096 |
1149.7 |
-16.5 |
0.561 |
6 |
0 |
0 |
0.675 |
| Average: |
1187.5 |
-17.0 |
0.583 |
5 |
1 |
0 |
0.675 |
| 3 |
9 |
|
J |
73 |
21 |
3848 |
◊ |
H |
x,y,z |
1_555 |
103 |
30 |
24284 |
800.6 |
-9.5 |
0.667 |
5 |
1 |
0 |
0.431 |
10 |
|
I |
73 |
21 |
3838 |
◊ |
B |
x,y,z |
1_555 |
104 |
31 |
24414 |
785.1 |
-9.6 |
0.669 |
4 |
0 |
0 |
0.431 |
11 |
|
L |
71 |
21 |
3938 |
◊ |
F |
x,y,z |
1_555 |
103 |
30 |
24241 |
783.6 |
-10.0 |
0.608 |
4 |
2 |
0 |
0.431 |
12 |
|
K |
71 |
21 |
3846 |
◊ |
D |
x,y,z |
1_555 |
101 |
29 |
24337 |
769.8 |
-8.8 |
0.699 |
3 |
1 |
0 |
0.431 |
| Average: |
784.8 |
-9.4 |
0.661 |
4 |
1 |
0 |
0.431 |
| 4 |
13 |
|
F |
83 |
26 |
24241 |
◊ |
C |
x,y,z |
1_555 |
78 |
27 |
24096 |
691.3 |
-1.4 |
0.709 |
6 |
5 |
0 |
0.108 |
14 |
|
D |
76 |
20 |
24337 |
◊ |
E |
x,y-1,z |
1_545 |
73 |
25 |
23951 |
658.6 |
-1.4 |
0.699 |
4 |
3 |
0 |
0.108 |
15 |
|
G |
55 |
20 |
23850 |
◊ |
B |
x,y-1,z |
1_545 |
60 |
16 |
24414 |
516.8 |
-4.4 |
0.389 |
3 |
2 |
0 |
0.108 |
16 |
|
H |
58 |
19 |
24284 |
◊ |
A |
x,y,z |
1_555 |
55 |
21 |
23716 |
468.4 |
-4.6 |
0.400 |
3 |
1 |
0 |
0.108 |
| Average: |
583.8 |
-3.0 |
0.549 |
4 |
3 |
0 |
0.108 |
| 5 |
17 |
|
F |
48 |
13 |
24241 |
◊ |
B |
x,y,z |
1_555 |
43 |
11 |
24414 |
411.7 |
-4.8 |
0.229 |
0 |
0 |
0 |
0.000 |
18 |
|
D |
47 |
13 |
24337 |
◊ |
H |
x,y,z-1 |
1_554 |
44 |
12 |
24284 |
408.9 |
-4.7 |
0.240 |
0 |
0 |
0 |
0.000 |
19 |
|
F |
44 |
11 |
24241 |
◊ |
B |
x,y,z-1 |
1_554 |
45 |
12 |
24414 |
404.3 |
-4.8 |
0.194 |
0 |
0 |
0 |
0.000 |
20 |
|
H |
39 |
12 |
24284 |
◊ |
D |
x,y,z |
1_555 |
41 |
10 |
24337 |
381.5 |
-5.2 |
0.143 |
1 |
0 |
0 |
0.000 |
| Average: |
401.6 |
-4.9 |
0.202 |
0 |
0 |
0 |
0.000 |
| 6 |
21 |
|
[APC]D:602 |
31 |
1 |
625 |
f |
D |
x,y,z |
1_555 |
57 |
21 |
24337 |
407.6 |
0.3 |
0.755 |
4 |
0 |
0 |
0.058 |
22 |
|
[APC]B:602 |
31 |
1 |
622 |
f |
B |
x,y,z |
1_555 |
59 |
22 |
24414 |
406.4 |
0.3 |
0.742 |
4 |
0 |
0 |
0.058 |
23 |
|
[APC]H:603 |
31 |
1 |
621 |
f |
H |
x,y,z |
1_555 |
59 |
22 |
24284 |
406.0 |
0.2 |
0.745 |
4 |
0 |
0 |
0.058 |
24 |
|
[APC]F:602 |
31 |
1 |
624 |
f |
F |
x,y,z |
1_555 |
57 |
21 |
24241 |
405.6 |
0.2 |
0.750 |
4 |
0 |
0 |
0.058 |
25 |
|
[APC]C:602 |
27 |
1 |
541 |
f |
C |
x,y,z |
1_555 |
50 |
15 |
24096 |
346.6 |
0.1 |
0.843 |
4 |
0 |
0 |
0.058 |
26 |
|
[APC]G:602 |
27 |
1 |
543 |
f |
G |
x,y,z |
1_555 |
54 |
16 |
23850 |
344.8 |
0.6 |
0.878 |
5 |
0 |
0 |
0.058 |
27 |
|
[APC]A:602 |
26 |
1 |
542 |
f |
A |
x,y,z |
1_555 |
52 |
15 |
23716 |
342.5 |
0.8 |
0.883 |
5 |
0 |
0 |
0.058 |
28 |
|
[APC]E:602 |
27 |
1 |
541 |
f |
E |
x,y,z |
1_555 |
52 |
16 |
23951 |
341.9 |
0.3 |
0.853 |
4 |
0 |
0 |
0.058 |
| Average: |
375.2 |
0.4 |
0.806 |
4 |
0 |
0 |
0.058 |
| 7 |
29 |
|
C |
43 |
14 |
24096 |
◊ |
H |
x-1,y,z |
1_455 |
49 |
15 |
24284 |
390.9 |
-5.5 |
0.256 |
1 |
0 |
0 |
0.005 |
30 |
|
B |
42 |
13 |
24414 |
◊ |
E |
x-1,y,z+1 |
1_456 |
38 |
13 |
23951 |
343.8 |
-6.3 |
0.152 |
0 |
0 |
0 |
0.005 |
| Average: |
367.4 |
-5.9 |
0.204 |
1 |
0 |
0 |
0.005 |
| 8 |
31 |
|
D |
31 |
9 |
24337 |
◊ |
B |
x,y-1,z |
1_545 |
32 |
8 |
24414 |
351.4 |
-0.0 |
0.723 |
4 |
0 |
0 |
0.000 |
32 |
|
F |
23 |
7 |
24241 |
◊ |
H |
x,y,z-1 |
1_554 |
27 |
7 |
24284 |
277.3 |
-0.4 |
0.658 |
4 |
0 |
0 |
0.000 |
| Average: |
314.3 |
-0.2 |
0.690 |
4 |
0 |
0 |
0.000 |
| 9 |
33 |
|
F |
19 |
6 |
24241 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
24337 |
108.3 |
-0.1 |
0.683 |
0 |
0 |
0 |
0.000 |
34 |
|
D |
15 |
5 |
24337 |
◊ |
F |
x,y-1,z |
1_545 |
11 |
4 |
24241 |
93.9 |
-0.0 |
0.683 |
0 |
0 |
0 |
0.000 |
35 |
|
H |
15 |
5 |
24284 |
◊ |
B |
x,y,z |
1_555 |
10 |
3 |
24414 |
85.6 |
-0.4 |
0.600 |
0 |
0 |
0 |
0.000 |
36 |
|
H |
8 |
3 |
24284 |
◊ |
B |
x,y-1,z |
1_545 |
12 |
4 |
24414 |
69.6 |
-0.3 |
0.596 |
0 |
0 |
0 |
0.000 |
| Average: |
89.4 |
-0.2 |
0.641 |
0 |
0 |
0 |
0.000 |
| 10 |
37 |
|
I |
13 |
4 |
3838 |
◊ |
H |
x,y,z |
1_555 |
8 |
3 |
24284 |
85.5 |
-0.7 |
0.628 |
0 |
0 |
0 |
0.012 |
38 |
|
K |
11 |
4 |
3846 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
24241 |
85.2 |
-0.7 |
0.613 |
0 |
0 |
0 |
0.012 |
39 |
|
D |
8 |
2 |
24337 |
◊ |
L |
x,y-1,z |
1_545 |
11 |
3 |
3938 |
75.2 |
-0.5 |
0.643 |
0 |
0 |
0 |
0.012 |
40 |
|
J |
10 |
3 |
3848 |
◊ |
B |
x,y-1,z |
1_545 |
7 |
2 |
24414 |
73.3 |
-0.6 |
0.605 |
0 |
0 |
0 |
0.012 |
| Average: |
79.8 |
-0.6 |
0.622 |
0 |
0 |
0 |
0.012 |
| 11 |
41 |
|
B |
11 |
2 |
24414 |
◊ |
G |
x-1,y+1,z |
1_465 |
8 |
3 |
23850 |
74.9 |
-0.3 |
0.560 |
0 |
0 |
0 |
0.000 |
42 |
|
A |
7 |
3 |
23716 |
◊ |
H |
x-1,y,z |
1_455 |
8 |
2 |
24284 |
51.3 |
-0.3 |
0.555 |
1 |
0 |
0 |
0.000 |
| Average: |
63.1 |
-0.3 |
0.558 |
1 |
0 |
0 |
0.000 |
| 12 |
43 |
|
A |
6 |
2 |
23716 |
◊ |
G |
x-1,y+1,z |
1_465 |
7 |
3 |
23850 |
56.7 |
-0.6 |
0.473 |
0 |
0 |
0 |
0.000 |
44 |
|
A |
7 |
3 |
23716 |
◊ |
G |
x-1,y,z |
1_455 |
6 |
2 |
23850 |
47.9 |
-0.7 |
0.440 |
0 |
0 |
0 |
0.000 |
| Average: |
52.3 |
-0.7 |
0.456 |
0 |
0 |
0 |
0.000 |
| 13 |
45 |
|
D |
5 |
2 |
24337 |
◊ |
G |
x-1,y,z-1 |
1_454 |
5 |
2 |
23850 |
52.3 |
-0.2 |
0.554 |
0 |
0 |
0 |
0.000 |
46 |
|
A |
4 |
3 |
23716 |
◊ |
F |
x-1,y,z |
1_455 |
6 |
3 |
24241 |
42.2 |
-0.9 |
0.285 |
0 |
0 |
0 |
0.000 |
| Average: |
47.2 |
-0.6 |
0.420 |
0 |
0 |
0 |
0.000 |
| 14 |
47 |
|
[MG]E:603 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
8 |
6 |
23951 |
50.3 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.205 |
48 |
|
[MG]G:603 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
8 |
5 |
23850 |
49.7 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.205 |
49 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
23716 |
48.3 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.205 |
50 |
|
[MG]F:603 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
7 |
6 |
24241 |
47.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.205 |
51 |
|
[MG]H:604 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
5 |
5 |
24284 |
46.8 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.205 |
52 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
7 |
6 |
24414 |
46.0 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.205 |
53 |
|
[MG]D:603 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
8 |
5 |
24337 |
45.3 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.205 |
54 |
|
[MG]C:603 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
7 |
5 |
24096 |
44.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.205 |
| Average: |
47.2 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.205 |
| 15 |
55 |
|
[MG]F:603 |
1 |
1 |
98 |
f |
[APC]F:602 |
x,y,z |
1_555 |
7 |
1 |
624 |
34.4 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.185 |
56 |
|
[MG]H:604 |
1 |
1 |
98 |
f |
[APC]H:603 |
x,y,z |
1_555 |
6 |
1 |
621 |
32.8 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.185 |
57 |
|
[MG]B:603 |
1 |
1 |
98 |
f |
[APC]B:602 |
x,y,z |
1_555 |
7 |
1 |
622 |
32.8 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.185 |
58 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
[APC]A:602 |
x,y,z |
1_555 |
3 |
1 |
542 |
25.9 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.185 |
59 |
|
[MG]G:603 |
1 |
1 |
98 |
f |
[APC]G:602 |
x,y,z |
1_555 |
3 |
1 |
543 |
25.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.185 |
60 |
|
[MG]E:603 |
1 |
1 |
98 |
f |
[APC]E:602 |
x,y,z |
1_555 |
3 |
1 |
541 |
21.9 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.185 |
61 |
|
[MG]C:603 |
1 |
1 |
98 |
f |
[APC]C:602 |
x,y,z |
1_555 |
3 |
1 |
541 |
20.9 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.185 |
| Average: |
27.7 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.185 |
| 16 |
62 |
|
[MG]J:101 |
1 |
1 |
98 |
f |
B |
x,y-1,z |
1_545 |
5 |
2 |
24414 |
32.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.141 |
63 |
|
[MG]H:605 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
5 |
2 |
24284 |
32.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.141 |
64 |
|
D |
4 |
2 |
24337 |
f |
[MG]L:101 |
x,y-1,z |
1_545 |
1 |
1 |
98 |
32.4 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.141 |
65 |
|
[MG]F:604 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
5 |
2 |
24241 |
32.1 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.141 |
| Average: |
32.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.141 |
| 17 |
66 |
|
[MG]D:603 |
1 |
1 |
98 |
f |
[APC]D:602 |
x,y,z |
1_555 |
7 |
1 |
625 |
31.9 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.086 |
| 18 |
67 |
|
[MG]L:101 |
1 |
1 |
98 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
3938 |
31.3 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.062 |
68 |
|
[MG]F:604 |
1 |
1 |
98 |
◊ |
K |
x,y,z |
1_555 |
7 |
3 |
3846 |
30.4 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.062 |
69 |
|
[MG]J:101 |
1 |
1 |
98 |
◊ |
J |
x,y,z |
1_555 |
5 |
1 |
3848 |
30.3 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.062 |
70 |
|
[MG]H:605 |
1 |
1 |
98 |
◊ |
I |
x,y,z |
1_555 |
5 |
1 |
3838 |
30.3 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.062 |
| Average: |
30.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.062 |
| 19 |
71 |
|
[MG]J:101 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
23850 |
28.3 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.036 |
72 |
|
[MG]H:605 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
23716 |
28.1 |
-1.9 |
0.000 |
0 |
0 |
0 |
0.036 |
73 |
|
[MG]F:604 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
24096 |
26.1 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.036 |
74 |
|
[MG]L:101 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
23951 |
24.4 |
-1.5 |
0.000 |
0 |
0 |
0 |
0.036 |
| Average: |
26.7 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.036 |
| 20 |
75 |
|
C |
2 |
2 |
24096 |
◊ |
E |
x-1,y,z |
1_455 |
1 |
1 |
23951 |
17.2 |
0.0 |
0.489 |
0 |
0 |
0 |
0.000 |
| 21 |
76 |
|
A |
2 |
1 |
23716 |
◊ |
B |
x-1,y,z |
1_455 |
5 |
1 |
24414 |
17.1 |
-0.5 |
0.353 |
0 |
0 |
0 |
0.000 |
77 |
|
H |
4 |
1 |
24284 |
◊ |
G |
x-1,y,z |
1_455 |
2 |
1 |
23850 |
16.1 |
-0.4 |
0.374 |
0 |
0 |
0 |
0.000 |
| Average: |
16.6 |
-0.4 |
0.364 |
0 |
0 |
0 |
0.000 |
|