## |
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 |
|
J |
370 |
89 |
12877 |
◊ |
I |
x,y,z |
1_555 |
371 |
91 |
12958 |
3484.8 |
-46.0 |
0.019 |
45 |
19 |
0 |
1.000 |
2 |
|
H |
368 |
89 |
12880 |
◊ |
G |
x,y,z |
1_555 |
371 |
90 |
12918 |
3478.7 |
-42.1 |
0.033 |
52 |
17 |
0 |
1.000 |
3 |
|
F |
370 |
88 |
12930 |
◊ |
E |
x,y,z |
1_555 |
371 |
90 |
12848 |
3477.9 |
-45.1 |
0.021 |
44 |
15 |
0 |
1.000 |
4 |
|
B |
365 |
90 |
12846 |
◊ |
A |
x,y,z |
1_555 |
365 |
89 |
12860 |
3443.8 |
-44.2 |
0.023 |
45 |
13 |
0 |
1.000 |
5 |
|
D |
372 |
90 |
12820 |
◊ |
C |
x,y,z |
1_555 |
359 |
89 |
12888 |
3434.1 |
-45.0 |
0.020 |
51 |
15 |
0 |
1.000 |
Average: |
3463.8 |
-44.5 |
0.023 |
47 |
16 |
0 |
1.000 |
2 |
6 |
|
B |
91 |
21 |
12846 |
◊ |
G |
x,y-1,z-1 |
1_544 |
85 |
22 |
12918 |
784.5 |
6.7 |
0.960 |
10 |
21 |
0 |
0.000 |
7 |
|
D |
88 |
20 |
12820 |
◊ |
E |
x-1,y-1,z |
1_445 |
87 |
21 |
12848 |
779.6 |
4.2 |
0.924 |
13 |
19 |
0 |
0.000 |
Average: |
782.0 |
5.4 |
0.942 |
12 |
20 |
0 |
0.000 |
3 |
8 |
|
F |
89 |
27 |
12930 |
◊ |
A |
x,y,z |
1_555 |
87 |
26 |
12860 |
783.7 |
-6.4 |
0.402 |
8 |
0 |
0 |
0.120 |
9 |
|
I |
86 |
26 |
12958 |
◊ |
G |
x,y,z |
1_555 |
87 |
25 |
12918 |
780.5 |
-6.8 |
0.376 |
7 |
0 |
0 |
0.120 |
10 |
|
C |
88 |
26 |
12888 |
◊ |
B |
x,y,z |
1_555 |
91 |
27 |
12846 |
770.7 |
-7.6 |
0.325 |
8 |
0 |
0 |
0.120 |
11 |
|
J |
86 |
25 |
12877 |
◊ |
D |
x,y,z |
1_555 |
87 |
24 |
12820 |
766.0 |
-6.4 |
0.404 |
8 |
0 |
0 |
0.120 |
12 |
|
H |
86 |
26 |
12880 |
◊ |
E |
x,y,z |
1_555 |
86 |
25 |
12848 |
752.9 |
-7.8 |
0.304 |
6 |
0 |
0 |
0.120 |
Average: |
770.8 |
-7.0 |
0.362 |
7 |
0 |
0 |
0.120 |
4 |
13 |
|
A |
44 |
15 |
12860 |
◊ |
I |
x,y,z-1 |
1_554 |
45 |
18 |
12958 |
386.3 |
2.5 |
0.869 |
3 |
2 |
0 |
0.000 |
5 |
14 |
|
C |
41 |
13 |
12888 |
◊ |
A |
x,y,z |
1_555 |
41 |
11 |
12860 |
373.7 |
-2.8 |
0.461 |
4 |
4 |
0 |
0.123 |
15 |
|
I |
38 |
11 |
12958 |
◊ |
D |
x,y,z |
1_555 |
39 |
12 |
12820 |
371.9 |
-2.3 |
0.497 |
4 |
5 |
0 |
0.123 |
16 |
|
J |
39 |
13 |
12877 |
◊ |
C |
x,y,z |
1_555 |
39 |
10 |
12888 |
367.2 |
-2.9 |
0.432 |
4 |
4 |
0 |
0.123 |
17 |
|
J |
38 |
10 |
12877 |
◊ |
G |
x,y,z |
1_555 |
39 |
13 |
12918 |
363.0 |
-2.6 |
0.462 |
4 |
4 |
0 |
0.123 |
18 |
|
F |
37 |
12 |
12930 |
◊ |
B |
x,y,z |
1_555 |
36 |
10 |
12846 |
362.3 |
-2.9 |
0.397 |
3 |
4 |
0 |
0.123 |
19 |
|
I |
37 |
12 |
12958 |
◊ |
H |
x,y,z |
1_555 |
38 |
10 |
12880 |
358.0 |
-2.9 |
0.408 |
4 |
3 |
0 |
0.123 |
20 |
|
G |
40 |
11 |
12918 |
◊ |
E |
x,y,z |
1_555 |
39 |
13 |
12848 |
358.0 |
-2.9 |
0.450 |
4 |
3 |
0 |
0.123 |
21 |
|
E |
40 |
11 |
12848 |
◊ |
A |
x,y,z |
1_555 |
39 |
14 |
12860 |
352.5 |
-3.7 |
0.357 |
4 |
3 |
0 |
0.123 |
22 |
|
H |
37 |
13 |
12880 |
◊ |
F |
x,y,z |
1_555 |
38 |
11 |
12930 |
347.2 |
-3.3 |
0.373 |
4 |
4 |
0 |
0.123 |
23 |
|
D |
37 |
10 |
12820 |
◊ |
B |
x,y,z |
1_555 |
36 |
13 |
12846 |
345.4 |
-3.6 |
0.340 |
4 |
3 |
0 |
0.123 |
Average: |
359.9 |
-3.0 |
0.418 |
4 |
4 |
0 |
0.123 |
6 |
24 |
|
C |
43 |
15 |
12888 |
◊ |
B |
x-1,y,z |
1_455 |
37 |
15 |
12846 |
336.5 |
0.0 |
0.704 |
4 |
0 |
0 |
0.000 |
7 |
25 |
|
C |
19 |
9 |
12888 |
◊ |
H |
x-1,y-1,z-1 |
1_444 |
16 |
5 |
12880 |
196.8 |
3.3 |
0.932 |
2 |
5 |
0 |
0.000 |
8 |
26 |
|
[CIT]I:302 |
12 |
1 |
309 |
◊ |
I |
x,y,z |
1_555 |
17 |
7 |
12958 |
140.1 |
1.8 |
0.489 |
2 |
0 |
0 |
0.000 |
27 |
|
[CIT]D:302 |
11 |
1 |
310 |
◊ |
D |
x,y,z |
1_555 |
17 |
7 |
12820 |
139.4 |
1.1 |
0.496 |
3 |
0 |
0 |
0.000 |
28 |
|
[CIT]E:302 |
11 |
1 |
307 |
◊ |
E |
x,y,z |
1_555 |
17 |
7 |
12848 |
138.6 |
1.7 |
0.491 |
2 |
0 |
0 |
0.000 |
29 |
|
[CIT]G:302 |
12 |
1 |
308 |
◊ |
G |
x,y,z |
1_555 |
17 |
7 |
12918 |
138.3 |
2.0 |
0.481 |
2 |
0 |
0 |
0.000 |
30 |
|
[CIT]A:302 |
12 |
1 |
305 |
◊ |
A |
x,y,z |
1_555 |
16 |
7 |
12860 |
137.0 |
2.0 |
0.541 |
2 |
0 |
0 |
0.000 |
Average: |
138.7 |
1.7 |
0.500 |
2 |
0 |
0 |
0.000 |
9 |
31 |
|
[CIT]J:302 |
12 |
1 |
307 |
◊ |
J |
x,y,z |
1_555 |
18 |
7 |
12877 |
139.7 |
4.2 |
0.777 |
2 |
0 |
0 |
0.000 |
32 |
|
[CIT]F:302 |
12 |
1 |
308 |
◊ |
F |
x,y,z |
1_555 |
18 |
7 |
12930 |
138.5 |
4.2 |
0.733 |
2 |
0 |
0 |
0.000 |
33 |
|
[CIT]C:302 |
12 |
1 |
305 |
◊ |
C |
x,y,z |
1_555 |
17 |
7 |
12888 |
138.1 |
4.0 |
0.765 |
2 |
0 |
0 |
0.000 |
34 |
|
[CIT]B:302 |
12 |
1 |
306 |
◊ |
B |
x,y,z |
1_555 |
18 |
7 |
12846 |
138.1 |
4.3 |
0.741 |
2 |
0 |
0 |
0.000 |
Average: |
138.6 |
4.2 |
0.754 |
2 |
0 |
0 |
0.000 |
10 |
35 |
|
[CIT]H:302 |
11 |
1 |
306 |
◊ |
H |
x,y,z |
1_555 |
18 |
7 |
12880 |
138.5 |
3.8 |
0.693 |
2 |
0 |
0 |
0.000 |
11 |
36 |
|
B |
11 |
3 |
12846 |
◊ |
H |
x,y-1,z-1 |
1_544 |
15 |
4 |
12880 |
110.9 |
1.0 |
0.743 |
1 |
1 |
0 |
0.000 |
37 |
|
C |
14 |
4 |
12888 |
◊ |
E |
x-1,y-1,z |
1_445 |
10 |
3 |
12848 |
93.6 |
0.3 |
0.673 |
0 |
0 |
0 |
0.000 |
38 |
|
D |
7 |
2 |
12820 |
◊ |
F |
x-1,y-1,z |
1_445 |
13 |
4 |
12930 |
90.0 |
1.2 |
0.810 |
1 |
1 |
0 |
0.000 |
39 |
|
A |
12 |
3 |
12860 |
◊ |
G |
x,y-1,z-1 |
1_544 |
8 |
2 |
12918 |
67.7 |
-0.4 |
0.529 |
0 |
0 |
0 |
0.000 |
Average: |
90.5 |
0.5 |
0.689 |
1 |
1 |
0 |
0.000 |
12 |
40 |
|
[CIT]B:302 |
7 |
1 |
306 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
12860 |
89.1 |
-1.0 |
0.173 |
0 |
0 |
0 |
0.100 |
41 |
|
[CIT]J:302 |
7 |
1 |
307 |
f |
I |
x,y,z |
1_555 |
8 |
4 |
12958 |
88.5 |
-0.9 |
0.187 |
0 |
0 |
0 |
0.100 |
42 |
|
[CIT]F:302 |
8 |
1 |
308 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
12848 |
88.3 |
-1.1 |
0.170 |
0 |
0 |
0 |
0.100 |
43 |
|
[CIT]C:302 |
7 |
1 |
305 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
12820 |
87.8 |
-0.9 |
0.191 |
0 |
0 |
0 |
0.100 |
Average: |
88.4 |
-1.0 |
0.180 |
0 |
0 |
0 |
0.100 |
13 |
44 |
|
[CIT]A:302 |
7 |
1 |
305 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
12846 |
88.6 |
0.3 |
0.233 |
0 |
0 |
0 |
0.000 |
45 |
|
[CIT]D:302 |
7 |
1 |
310 |
◊ |
C |
x,y,z |
1_555 |
8 |
4 |
12888 |
88.6 |
0.5 |
0.245 |
0 |
0 |
0 |
0.000 |
46 |
|
[CIT]G:302 |
7 |
1 |
308 |
◊ |
H |
x,y,z |
1_555 |
8 |
4 |
12880 |
86.6 |
0.2 |
0.214 |
0 |
0 |
0 |
0.000 |
47 |
|
[CIT]I:302 |
8 |
1 |
309 |
◊ |
J |
x,y,z |
1_555 |
8 |
4 |
12877 |
86.5 |
0.1 |
0.219 |
0 |
0 |
0 |
0.000 |
48 |
|
[CIT]E:302 |
8 |
1 |
307 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
12930 |
85.9 |
0.2 |
0.226 |
0 |
0 |
0 |
0.000 |
Average: |
87.2 |
0.3 |
0.227 |
0 |
0 |
0 |
0.000 |
14 |
49 |
|
[CIT]H:302 |
7 |
1 |
306 |
f |
G |
x,y,z |
1_555 |
8 |
4 |
12918 |
85.1 |
-0.6 |
0.175 |
0 |
0 |
0 |
0.099 |
15 |
50 |
|
J |
13 |
7 |
12877 |
◊ |
H |
x-1,y,z |
1_455 |
11 |
5 |
12880 |
75.6 |
-1.0 |
0.462 |
0 |
0 |
0 |
0.000 |
16 |
51 |
|
A |
9 |
3 |
12860 |
◊ |
H |
x-1,y-1,z-1 |
1_444 |
8 |
2 |
12880 |
57.4 |
0.0 |
0.644 |
0 |
0 |
0 |
0.000 |
17 |
52 |
|
B |
5 |
1 |
12846 |
◊ |
J |
x,y-1,z-1 |
1_544 |
5 |
1 |
12877 |
33.9 |
0.7 |
0.772 |
0 |
3 |
0 |
0.000 |
53 |
|
D |
4 |
1 |
12820 |
◊ |
G |
x-1,y-1,z |
1_445 |
4 |
1 |
12918 |
32.9 |
0.7 |
0.676 |
0 |
1 |
0 |
0.000 |
54 |
|
I |
4 |
1 |
12958 |
◊ |
E |
x-1,y-1,z |
1_445 |
2 |
1 |
12848 |
31.2 |
1.1 |
0.786 |
0 |
1 |
0 |
0.000 |
55 |
|
D |
1 |
1 |
12820 |
◊ |
G |
x,y-1,z-1 |
1_544 |
2 |
1 |
12918 |
5.9 |
-0.0 |
0.606 |
0 |
0 |
0 |
0.000 |
Average: |
26.0 |
0.6 |
0.710 |
0 |
1 |
0 |
0.000 |
18 |
56 |
|
E |
4 |
1 |
12848 |
◊ |
H |
x,y,z-1 |
1_554 |
6 |
3 |
12880 |
27.8 |
0.1 |
0.662 |
0 |
0 |
0 |
0.000 |
19 |
57 |
|
G |
5 |
3 |
12918 |
◊ |
F |
x-1,y,z |
1_455 |
5 |
3 |
12930 |
19.3 |
0.0 |
0.620 |
0 |
0 |
0 |
0.000 |
20 |
58 |
|
[CIT]I:302 |
3 |
1 |
309 |
f |
G |
x,y,z |
1_555 |
4 |
1 |
12918 |
14.9 |
-0.0 |
0.405 |
0 |
0 |
0 |
0.100 |
59 |
|
[CIT]G:302 |
3 |
1 |
308 |
f |
I |
x,y,z |
1_555 |
4 |
1 |
12958 |
14.4 |
-0.2 |
0.400 |
0 |
0 |
0 |
0.100 |
60 |
|
[CIT]A:302 |
3 |
1 |
305 |
f |
F |
x,y,z |
1_555 |
4 |
1 |
12930 |
13.9 |
-0.1 |
0.399 |
0 |
0 |
0 |
0.100 |
61 |
|
[CIT]E:302 |
3 |
1 |
307 |
f |
H |
x,y,z |
1_555 |
3 |
1 |
12880 |
12.4 |
-0.0 |
0.402 |
0 |
0 |
0 |
0.100 |
62 |
|
[CIT]D:302 |
2 |
1 |
310 |
f |
J |
x,y,z |
1_555 |
3 |
1 |
12877 |
12.2 |
-0.3 |
0.420 |
0 |
0 |
0 |
0.100 |
Average: |
13.6 |
-0.2 |
0.405 |
0 |
0 |
0 |
0.100 |
21 |
63 |
|
[CIT]J:302 |
3 |
1 |
307 |
◊ |
D |
x,y,z |
1_555 |
5 |
1 |
12820 |
13.8 |
0.2 |
0.493 |
0 |
0 |
0 |
0.000 |
64 |
|
[CIT]F:302 |
3 |
1 |
308 |
◊ |
A |
x,y,z |
1_555 |
4 |
1 |
12860 |
12.5 |
0.2 |
0.475 |
0 |
0 |
0 |
0.000 |
65 |
|
[CIT]B:302 |
2 |
1 |
306 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12888 |
12.2 |
0.2 |
0.441 |
0 |
0 |
0 |
0.000 |
66 |
|
[CIT]C:302 |
3 |
1 |
305 |
◊ |
B |
x,y,z |
1_555 |
5 |
1 |
12846 |
12.0 |
0.1 |
0.472 |
0 |
0 |
0 |
0.000 |
Average: |
12.6 |
0.2 |
0.470 |
0 |
0 |
0 |
0.000 |
22 |
67 |
|
[CIT]H:302 |
2 |
1 |
306 |
◊ |
E |
x,y,z |
1_555 |
4 |
1 |
12848 |
11.3 |
0.2 |
0.443 |
0 |
0 |
0 |
0.000 |
|