## |
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 |
|
D |
367 |
106 |
20718 |
◊ |
C |
x,y,z |
1_555 |
380 |
108 |
20874 |
3718.1 |
-22.7 |
0.519 |
64 |
20 |
0 |
0.607 |
2 |
|
B |
374 |
107 |
20998 |
◊ |
A |
x,y,z |
1_555 |
371 |
103 |
20944 |
3697.0 |
-22.1 |
0.445 |
64 |
21 |
0 |
0.607 |
3 |
|
F |
366 |
104 |
21072 |
◊ |
E |
x,y,z |
1_555 |
371 |
106 |
20849 |
3633.8 |
-21.3 |
0.454 |
62 |
20 |
0 |
0.607 |
4 |
|
H |
350 |
103 |
20695 |
◊ |
G |
x,y,z |
1_555 |
355 |
102 |
20018 |
3501.8 |
-22.3 |
0.453 |
62 |
22 |
0 |
0.607 |
Average: |
3637.7 |
-22.1 |
0.468 |
63 |
21 |
0 |
0.607 |
2 |
5 |
|
H |
103 |
29 |
20695 |
◊ |
F |
x,y,z |
1_555 |
99 |
28 |
21072 |
931.0 |
-12.8 |
0.125 |
0 |
2 |
0 |
0.356 |
6 |
|
C |
98 |
27 |
20874 |
◊ |
A |
x,y,z |
1_555 |
97 |
27 |
20944 |
925.3 |
-14.7 |
0.058 |
0 |
2 |
0 |
0.356 |
7 |
|
G |
96 |
26 |
20018 |
◊ |
E |
x,y,z |
1_555 |
96 |
27 |
20849 |
915.3 |
-14.0 |
0.067 |
0 |
2 |
0 |
0.356 |
8 |
|
D |
99 |
28 |
20718 |
◊ |
B |
x,y,z |
1_555 |
95 |
27 |
20998 |
914.8 |
-13.0 |
0.118 |
0 |
4 |
0 |
0.356 |
Average: |
921.6 |
-13.6 |
0.092 |
0 |
3 |
0 |
0.356 |
3 |
9 |
|
H |
92 |
29 |
20695 |
◊ |
E |
x,y,z |
1_555 |
94 |
29 |
20849 |
907.7 |
-10.5 |
0.198 |
5 |
4 |
0 |
0.116 |
10 |
|
D |
94 |
29 |
20718 |
◊ |
A |
x,y,z |
1_555 |
90 |
28 |
20944 |
901.2 |
-10.7 |
0.188 |
4 |
4 |
0 |
0.116 |
11 |
|
C |
92 |
28 |
20874 |
◊ |
B |
x,y,z |
1_555 |
91 |
29 |
20998 |
899.3 |
-10.8 |
0.168 |
5 |
4 |
0 |
0.116 |
12 |
|
G |
93 |
30 |
20018 |
◊ |
F |
x,y,z |
1_555 |
93 |
28 |
21072 |
898.7 |
-10.5 |
0.174 |
5 |
4 |
0 |
0.116 |
Average: |
901.7 |
-10.6 |
0.182 |
5 |
4 |
0 |
0.116 |
4 |
13 |
|
F |
81 |
24 |
21072 |
◊ |
A |
x,y,z |
1_555 |
76 |
20 |
20944 |
713.1 |
-3.2 |
0.585 |
10 |
0 |
0 |
0.000 |
14 |
|
E |
76 |
20 |
20849 |
◊ |
B |
x,y,z |
1_555 |
77 |
22 |
20998 |
712.8 |
-2.2 |
0.660 |
10 |
0 |
0 |
0.000 |
15 |
|
C |
55 |
16 |
20874 |
◊ |
G |
x,y-1,z |
1_545 |
67 |
19 |
20018 |
549.7 |
-4.2 |
0.447 |
5 |
0 |
0 |
0.000 |
Average: |
658.5 |
-3.2 |
0.564 |
8 |
0 |
0 |
0.000 |
5 |
16 |
|
E |
60 |
18 |
20849 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
69 |
21 |
20874 |
523.6 |
-0.7 |
0.731 |
6 |
1 |
0 |
0.000 |
17 |
|
C |
55 |
16 |
20874 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
59 |
18 |
20849 |
462.0 |
-0.9 |
0.701 |
6 |
3 |
0 |
0.000 |
Average: |
492.8 |
-0.8 |
0.716 |
6 |
2 |
0 |
0.000 |
6 |
18 |
|
A |
51 |
15 |
20944 |
◊ |
G |
-x+1/2,y-1/2,-z |
4_545 |
45 |
17 |
20018 |
485.1 |
0.8 |
0.734 |
8 |
4 |
0 |
0.000 |
19 |
|
B |
44 |
14 |
20998 |
◊ |
H |
x-1/2,y-1/2,z |
3_445 |
53 |
14 |
20695 |
454.3 |
-1.4 |
0.658 |
5 |
2 |
0 |
0.000 |
20 |
|
D |
51 |
15 |
20718 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
34 |
12 |
21072 |
388.6 |
-1.1 |
0.662 |
3 |
2 |
0 |
0.000 |
21 |
|
G |
48 |
14 |
20018 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
36 |
15 |
20944 |
366.6 |
-0.1 |
0.693 |
1 |
0 |
0 |
0.000 |
Average: |
423.7 |
-0.4 |
0.687 |
4 |
2 |
0 |
0.000 |
7 |
22 |
|
[NAD]C:601 |
26 |
1 |
546 |
f |
C |
x,y,z |
1_555 |
47 |
21 |
20874 |
349.3 |
-3.9 |
0.314 |
6 |
0 |
0 |
0.158 |
23 |
|
[NAD]G:601 |
25 |
1 |
545 |
f |
G |
x,y,z |
1_555 |
43 |
20 |
20018 |
344.7 |
-3.9 |
0.275 |
7 |
0 |
0 |
0.158 |
24 |
|
[NAD]D:601 |
26 |
1 |
545 |
f |
D |
x,y,z |
1_555 |
47 |
20 |
20718 |
344.0 |
-3.7 |
0.335 |
7 |
0 |
0 |
0.158 |
25 |
|
[NAD]F:603 |
27 |
1 |
549 |
f |
F |
x,y,z |
1_555 |
42 |
20 |
21072 |
340.7 |
-3.3 |
0.291 |
7 |
0 |
0 |
0.158 |
26 |
|
[NAD]H:601 |
25 |
1 |
550 |
f |
H |
x,y,z |
1_555 |
44 |
20 |
20695 |
338.8 |
-4.2 |
0.293 |
6 |
0 |
0 |
0.158 |
Average: |
343.5 |
-3.8 |
0.302 |
7 |
0 |
0 |
0.158 |
8 |
27 |
|
[NAD]A:602 |
25 |
1 |
530 |
f |
A |
x,y,z |
1_555 |
40 |
21 |
20944 |
315.4 |
-4.7 |
0.298 |
6 |
0 |
0 |
0.176 |
28 |
|
[NAD]E:601 |
25 |
1 |
525 |
f |
E |
x,y,z |
1_555 |
37 |
20 |
20849 |
309.6 |
-4.7 |
0.287 |
6 |
0 |
0 |
0.176 |
29 |
|
[NAD]B:602 |
24 |
1 |
528 |
f |
B |
x,y,z |
1_555 |
38 |
19 |
20998 |
307.1 |
-5.3 |
0.295 |
5 |
0 |
0 |
0.176 |
Average: |
310.7 |
-4.9 |
0.293 |
6 |
0 |
0 |
0.176 |
9 |
30 |
|
B |
34 |
12 |
20998 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
33 |
12 |
20695 |
259.2 |
-0.3 |
0.696 |
2 |
0 |
0 |
0.000 |
10 |
31 |
|
[EDO]A:601 |
4 |
1 |
182 |
◊ |
A |
x,y,z |
1_555 |
20 |
10 |
20944 |
109.4 |
3.2 |
0.482 |
1 |
0 |
0 |
0.000 |
11 |
32 |
|
[EDO]B:601 |
4 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
20998 |
90.2 |
2.1 |
0.280 |
3 |
0 |
0 |
0.000 |
12 |
33 |
|
[EDO]F:602 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
14 |
6 |
21072 |
90.0 |
2.4 |
0.286 |
3 |
0 |
0 |
0.000 |
13 |
34 |
|
C |
11 |
4 |
20874 |
◊ |
F |
x-1/2,y-1/2,z |
3_445 |
9 |
4 |
21072 |
85.3 |
0.3 |
0.714 |
2 |
0 |
0 |
0.000 |
35 |
|
B |
8 |
3 |
20998 |
◊ |
G |
-x+1/2,y-1/2,-z |
4_545 |
12 |
3 |
20018 |
85.1 |
-1.1 |
0.395 |
0 |
0 |
0 |
0.000 |
36 |
|
B |
9 |
4 |
20998 |
◊ |
G |
x-1/2,y-1/2,z |
3_445 |
8 |
4 |
20018 |
78.3 |
0.2 |
0.692 |
2 |
0 |
0 |
0.000 |
37 |
|
H |
5 |
3 |
20695 |
◊ |
A |
x-1/2,y+1/2,z |
3_455 |
5 |
1 |
20944 |
57.3 |
0.6 |
0.806 |
0 |
0 |
0 |
0.000 |
Average: |
76.5 |
0.0 |
0.652 |
1 |
0 |
0 |
0.000 |
14 |
38 |
|
D |
12 |
4 |
20718 |
◊ |
F |
-x+1/2,y-1/2,-z+1 |
4_546 |
11 |
6 |
21072 |
72.7 |
-0.5 |
0.524 |
0 |
0 |
0 |
0.000 |
15 |
39 |
|
D |
11 |
6 |
20718 |
◊ |
H |
x,y-1,z |
1_545 |
12 |
7 |
20695 |
72.4 |
0.2 |
0.675 |
0 |
0 |
0 |
0.000 |
16 |
40 |
|
D |
7 |
2 |
20718 |
◊ |
E |
-x+1/2,y-1/2,-z+1 |
4_546 |
11 |
4 |
20849 |
72.2 |
-1.1 |
0.391 |
0 |
0 |
0 |
0.000 |
17 |
41 |
|
[EDO]F:601 |
4 |
1 |
183 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
21072 |
63.7 |
1.8 |
0.868 |
3 |
0 |
0 |
0.000 |
18 |
42 |
|
[CL]H:602 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
11 |
5 |
20695 |
59.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.313 |
43 |
|
[CL]G:602 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
13 |
6 |
20018 |
52.8 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.313 |
44 |
|
[CL]E:603 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
10 |
5 |
21072 |
51.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.313 |
45 |
|
[CL]E:602 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
11 |
5 |
20849 |
50.9 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.313 |
46 |
|
[CL]B:603 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
10 |
5 |
20998 |
50.8 |
-6.8 |
0.000 |
0 |
0 |
0 |
0.313 |
47 |
|
[CL]D:602 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
11 |
5 |
20718 |
50.4 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.313 |
48 |
|
[CL]A:603 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
12 |
5 |
20944 |
49.4 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.313 |
49 |
|
[CL]C:602 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
20874 |
49.4 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.313 |
Average: |
51.8 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.313 |
19 |
50 |
|
[EDO]B:601 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
20849 |
53.0 |
1.9 |
0.858 |
0 |
0 |
0 |
0.000 |
20 |
51 |
|
H |
7 |
3 |
20695 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
9 |
2 |
20998 |
52.6 |
0.0 |
0.655 |
0 |
0 |
0 |
0.000 |
52 |
|
F |
2 |
1 |
21072 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
20718 |
7.3 |
0.1 |
0.618 |
0 |
0 |
0 |
0.000 |
Average: |
29.9 |
0.1 |
0.636 |
0 |
0 |
0 |
0.000 |
21 |
53 |
|
[CL]A:603 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
2 |
20998 |
47.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.133 |
54 |
|
[CL]E:602 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
8 |
2 |
21072 |
47.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.133 |
55 |
|
[CL]C:602 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
2 |
20718 |
47.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.133 |
56 |
|
[CL]D:602 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
2 |
20874 |
46.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.133 |
57 |
|
[CL]B:603 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
2 |
20944 |
46.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.133 |
58 |
|
[CL]E:603 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
8 |
2 |
20849 |
45.7 |
-5.8 |
0.000 |
0 |
0 |
0 |
0.133 |
59 |
|
[CL]G:602 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
9 |
2 |
20695 |
45.4 |
-5.7 |
0.000 |
0 |
0 |
0 |
0.133 |
Average: |
46.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.133 |
22 |
60 |
|
[EDO]F:602 |
4 |
1 |
183 |
◊ |
A |
x,y,z |
1_555 |
6 |
3 |
20944 |
47.6 |
1.5 |
0.852 |
0 |
0 |
0 |
0.000 |
23 |
61 |
|
F |
4 |
2 |
21072 |
◊ |
C |
x-1/2,y+1/2,z |
3_455 |
3 |
2 |
20874 |
39.3 |
-0.2 |
0.555 |
0 |
0 |
0 |
0.000 |
62 |
|
D |
1 |
1 |
20718 |
◊ |
E |
-x+1/2,y-1/2,-z |
4_545 |
2 |
1 |
20849 |
14.0 |
-0.1 |
0.511 |
0 |
0 |
0 |
0.000 |
Average: |
26.6 |
-0.1 |
0.533 |
0 |
0 |
0 |
0.000 |
24 |
63 |
|
[EDO]F:601 |
3 |
1 |
183 |
◊ |
E |
x,y,z |
1_555 |
5 |
3 |
20849 |
33.7 |
1.5 |
0.907 |
0 |
0 |
0 |
0.000 |
25 |
64 |
|
F |
4 |
2 |
21072 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
20998 |
24.9 |
0.5 |
0.772 |
0 |
0 |
0 |
0.000 |
26 |
65 |
|
F |
2 |
1 |
21072 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
20998 |
21.1 |
1.0 |
0.900 |
1 |
0 |
0 |
0.000 |
27 |
66 |
|
A |
5 |
4 |
20944 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
6 |
5 |
20849 |
20.4 |
-0.1 |
0.587 |
0 |
0 |
0 |
0.000 |
28 |
67 |
|
A |
2 |
1 |
20944 |
◊ |
H |
x-1/2,y-1/2,z |
3_445 |
3 |
1 |
20695 |
19.4 |
0.8 |
0.820 |
1 |
1 |
0 |
0.000 |
68 |
|
G |
1 |
1 |
20018 |
◊ |
B |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
20998 |
8.7 |
0.4 |
0.876 |
0 |
0 |
0 |
0.000 |
Average: |
14.0 |
0.6 |
0.848 |
1 |
1 |
0 |
0.000 |
29 |
69 |
|
C |
2 |
1 |
20874 |
◊ |
F |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
21072 |
12.7 |
-0.1 |
0.474 |
0 |
0 |
0 |
0.000 |
70 |
|
E |
2 |
1 |
20849 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
3 |
2 |
20718 |
12.5 |
0.1 |
0.628 |
0 |
0 |
0 |
0.000 |
Average: |
12.6 |
-0.0 |
0.551 |
0 |
0 |
0 |
0.000 |
30 |
71 |
|
C |
2 |
1 |
20874 |
◊ |
H |
x,y-1,z |
1_545 |
2 |
1 |
20695 |
11.1 |
0.4 |
0.769 |
0 |
0 |
0 |
0.000 |
72 |
|
E |
3 |
1 |
20849 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
20944 |
8.6 |
0.2 |
0.743 |
0 |
0 |
0 |
0.000 |
Average: |
9.8 |
0.3 |
0.756 |
0 |
0 |
0 |
0.000 |
31 |
73 |
|
[EDO]A:601 |
2 |
1 |
182 |
f |
G |
-x+1/2,y-1/2,-z |
4_545 |
1 |
1 |
20018 |
4.3 |
0.1 |
0.602 |
0 |
0 |
0 |
0.000 |
|