## |
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 |
84 |
26 |
12211 |
◊ |
A |
x-1,y,z+1 |
1_456 |
85 |
26 |
12220 |
744.1 |
-5.7 |
0.272 |
4 |
2 |
0 |
0.026 |
2 |
|
G |
85 |
26 |
12187 |
◊ |
F |
x,y,z |
1_555 |
84 |
26 |
12225 |
737.4 |
-5.6 |
0.281 |
4 |
2 |
0 |
0.026 |
3 |
|
E |
84 |
26 |
12228 |
◊ |
H |
x-1,y,z |
1_455 |
83 |
26 |
12214 |
720.4 |
-5.9 |
0.255 |
4 |
2 |
0 |
0.026 |
4 |
|
C |
82 |
26 |
12202 |
◊ |
B |
x,y,z |
1_555 |
85 |
26 |
12209 |
711.4 |
-5.5 |
0.278 |
4 |
2 |
0 |
0.026 |
Average: |
728.3 |
-5.6 |
0.271 |
4 |
2 |
0 |
0.026 |
2 |
5 |
|
H |
49 |
18 |
12214 |
◊ |
E |
x,y,z |
1_555 |
50 |
19 |
12228 |
549.6 |
5.1 |
0.905 |
6 |
0 |
0 |
0.000 |
6 |
|
B |
51 |
18 |
12209 |
◊ |
C |
x-1,y,z |
1_455 |
49 |
18 |
12202 |
544.3 |
5.2 |
0.910 |
6 |
0 |
0 |
0.000 |
7 |
|
A |
49 |
18 |
12220 |
◊ |
D |
x,y,z-1 |
1_554 |
51 |
18 |
12211 |
541.1 |
5.6 |
0.921 |
6 |
0 |
0 |
0.000 |
8 |
|
G |
50 |
18 |
12187 |
◊ |
F |
x-1,y,z |
1_455 |
48 |
18 |
12225 |
536.2 |
5.0 |
0.907 |
6 |
0 |
0 |
0.000 |
Average: |
542.8 |
5.2 |
0.911 |
6 |
0 |
0 |
0.000 |
3 |
9 |
|
E |
53 |
20 |
12228 |
◊ |
D |
x,y,z |
1_555 |
54 |
20 |
12211 |
489.0 |
-0.1 |
0.606 |
10 |
4 |
0 |
0.000 |
10 |
|
G |
52 |
20 |
12187 |
◊ |
B |
x,y-1,z |
1_545 |
53 |
20 |
12209 |
487.7 |
-0.1 |
0.613 |
10 |
4 |
0 |
0.000 |
Average: |
488.3 |
-0.1 |
0.610 |
10 |
4 |
0 |
0.000 |
4 |
11 |
|
M |
27 |
4 |
688 |
◊ |
E |
x,y,z |
1_555 |
71 |
23 |
12228 |
425.9 |
-5.8 |
0.366 |
5 |
0 |
0 |
0.702 |
12 |
|
I |
26 |
4 |
692 |
◊ |
A |
x,y,z |
1_555 |
68 |
23 |
12220 |
423.4 |
-5.6 |
0.360 |
5 |
0 |
0 |
0.702 |
13 |
|
N |
27 |
4 |
699 |
◊ |
F |
x,y,z |
1_555 |
65 |
22 |
12225 |
422.1 |
-5.4 |
0.366 |
4 |
0 |
0 |
0.702 |
14 |
|
P |
26 |
4 |
689 |
◊ |
H |
x,y,z |
1_555 |
66 |
21 |
12214 |
421.2 |
-5.6 |
0.360 |
5 |
0 |
0 |
0.702 |
15 |
|
J |
26 |
4 |
689 |
◊ |
B |
x,y,z |
1_555 |
70 |
23 |
12209 |
419.3 |
-5.4 |
0.378 |
6 |
0 |
0 |
0.702 |
16 |
|
K |
26 |
4 |
691 |
◊ |
C |
x,y,z |
1_555 |
67 |
21 |
12202 |
417.4 |
-5.5 |
0.360 |
5 |
0 |
0 |
0.702 |
Average: |
421.6 |
-5.6 |
0.365 |
5 |
0 |
0 |
0.702 |
5 |
17 |
|
L |
27 |
4 |
682 |
◊ |
D |
x,y,z |
1_555 |
71 |
24 |
12211 |
422.2 |
-5.8 |
0.372 |
4 |
0 |
0 |
0.025 |
6 |
18 |
|
D |
50 |
12 |
12211 |
◊ |
C |
x,y,z |
1_555 |
50 |
14 |
12202 |
421.1 |
-2.9 |
0.339 |
0 |
3 |
0 |
0.000 |
19 |
|
G |
49 |
12 |
12187 |
◊ |
H |
x-1,y,z |
1_455 |
52 |
15 |
12214 |
415.6 |
-2.8 |
0.343 |
0 |
3 |
0 |
0.000 |
20 |
|
B |
54 |
16 |
12209 |
◊ |
A |
x,y,z |
1_555 |
45 |
12 |
12220 |
408.0 |
-2.8 |
0.337 |
0 |
2 |
0 |
0.000 |
21 |
|
E |
58 |
16 |
12228 |
◊ |
F |
x-1,y,z+1 |
1_456 |
48 |
12 |
12225 |
406.6 |
-2.8 |
0.344 |
0 |
2 |
0 |
0.000 |
22 |
|
B |
48 |
12 |
12209 |
◊ |
A |
x-1,y,z |
1_455 |
47 |
13 |
12220 |
398.4 |
-2.7 |
0.348 |
0 |
3 |
0 |
0.000 |
23 |
|
F |
48 |
13 |
12225 |
◊ |
E |
x,y,z-1 |
1_554 |
49 |
12 |
12228 |
397.4 |
-2.8 |
0.348 |
0 |
3 |
0 |
0.000 |
24 |
|
D |
51 |
15 |
12211 |
◊ |
C |
x-1,y,z |
1_455 |
46 |
12 |
12202 |
390.5 |
-2.8 |
0.336 |
0 |
2 |
0 |
0.000 |
25 |
|
H |
45 |
12 |
12214 |
◊ |
G |
x,y,z |
1_555 |
53 |
15 |
12187 |
390.3 |
-2.6 |
0.346 |
0 |
2 |
0 |
0.000 |
Average: |
403.5 |
-2.8 |
0.343 |
0 |
3 |
0 |
0.000 |
7 |
26 |
|
O |
25 |
4 |
678 |
◊ |
G |
x,y,z |
1_555 |
71 |
23 |
12187 |
414.8 |
-5.5 |
0.367 |
5 |
0 |
0 |
0.000 |
8 |
27 |
|
[0XM]N:5 |
11 |
1 |
372 |
cf |
N |
x,y,z |
1_555 |
12 |
4 |
699 |
96.8 |
-1.5 |
0.777 |
1 |
0 |
0 |
0.182 |
9 |
28 |
|
[0XM]K:5 |
10 |
1 |
370 |
cf |
K |
x,y,z |
1_555 |
11 |
4 |
691 |
94.8 |
-1.1 |
0.786 |
2 |
0 |
0 |
0.173 |
29 |
|
[0XM]J:5 |
9 |
1 |
373 |
cf |
J |
x,y,z |
1_555 |
10 |
4 |
689 |
86.4 |
-0.8 |
0.779 |
2 |
0 |
0 |
0.173 |
Average: |
90.6 |
-1.0 |
0.783 |
2 |
0 |
0 |
0.173 |
10 |
30 |
|
[0XM]P:5 |
10 |
1 |
371 |
cf |
P |
x,y,z |
1_555 |
11 |
4 |
689 |
93.5 |
-0.9 |
0.803 |
2 |
0 |
0 |
0.157 |
31 |
|
[0XM]M:5 |
9 |
1 |
368 |
cf |
M |
x,y,z |
1_555 |
10 |
4 |
688 |
88.4 |
-0.7 |
0.799 |
2 |
0 |
0 |
0.157 |
Average: |
91.0 |
-0.8 |
0.801 |
2 |
0 |
0 |
0.157 |
11 |
32 |
|
[0XM]I:5 |
8 |
1 |
373 |
cf |
I |
x,y,z |
1_555 |
12 |
4 |
692 |
91.7 |
-1.1 |
0.766 |
1 |
0 |
0 |
0.141 |
12 |
33 |
|
[0XM]O:5 |
10 |
1 |
371 |
cf |
O |
x,y,z |
1_555 |
10 |
4 |
678 |
89.8 |
-1.1 |
0.784 |
2 |
0 |
0 |
0.100 |
13 |
34 |
|
[0XM]L:5 |
10 |
1 |
370 |
cf |
L |
x,y,z |
1_555 |
9 |
4 |
682 |
87.6 |
-0.6 |
0.803 |
2 |
0 |
0 |
0.100 |
14 |
35 |
|
[0XM]I:5 |
9 |
1 |
373 |
◊ |
A |
x,y,z |
1_555 |
15 |
4 |
12220 |
87.5 |
-1.8 |
0.526 |
0 |
0 |
0 |
0.164 |
15 |
36 |
|
[0XM]O:5 |
11 |
1 |
371 |
◊ |
[0XM]N:5 |
x-1,y,z |
1_455 |
10 |
1 |
372 |
86.5 |
-2.1 |
0.803 |
0 |
0 |
0 |
0.000 |
16 |
37 |
|
[0XM]N:5 |
9 |
1 |
372 |
◊ |
F |
x,y,z |
1_555 |
15 |
4 |
12225 |
86.2 |
-1.7 |
0.569 |
0 |
0 |
0 |
0.155 |
17 |
38 |
|
[0XM]P:5 |
8 |
1 |
371 |
◊ |
H |
x,y,z |
1_555 |
16 |
4 |
12214 |
83.3 |
-1.9 |
0.526 |
0 |
0 |
0 |
0.165 |
39 |
|
[0XM]M:5 |
7 |
1 |
368 |
◊ |
E |
x,y,z |
1_555 |
13 |
3 |
12228 |
77.9 |
-1.8 |
0.490 |
0 |
0 |
0 |
0.165 |
Average: |
80.6 |
-1.8 |
0.508 |
0 |
0 |
0 |
0.165 |
18 |
40 |
|
[0XM]I:5 |
12 |
1 |
373 |
◊ |
[0XM]L:5 |
x,y,z-1 |
1_554 |
13 |
1 |
370 |
82.0 |
-2.2 |
0.824 |
0 |
0 |
0 |
0.000 |
19 |
41 |
|
[0XM]J:5 |
8 |
1 |
373 |
◊ |
B |
x,y,z |
1_555 |
13 |
3 |
12209 |
81.2 |
-1.8 |
0.481 |
0 |
0 |
0 |
0.156 |
42 |
|
[0XM]K:5 |
9 |
1 |
370 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
12202 |
76.9 |
-1.7 |
0.544 |
0 |
0 |
0 |
0.156 |
Average: |
79.0 |
-1.8 |
0.512 |
0 |
0 |
0 |
0.156 |
20 |
43 |
|
[0XM]L:5 |
8 |
1 |
370 |
◊ |
D |
x,y,z |
1_555 |
13 |
3 |
12211 |
80.6 |
-1.8 |
0.504 |
0 |
0 |
0 |
0.006 |
21 |
44 |
|
[0XM]J:5 |
12 |
1 |
373 |
◊ |
[0XM]K:5 |
x-1,y,z |
1_455 |
11 |
1 |
370 |
78.7 |
-2.3 |
0.787 |
0 |
0 |
0 |
0.000 |
22 |
45 |
|
H |
7 |
2 |
12214 |
◊ |
C |
x,y,z |
1_555 |
7 |
3 |
12202 |
77.8 |
2.2 |
0.892 |
0 |
0 |
0 |
0.000 |
46 |
|
F |
7 |
2 |
12225 |
◊ |
A |
x,y-1,z |
1_545 |
7 |
3 |
12220 |
76.8 |
2.2 |
0.894 |
0 |
0 |
0 |
0.000 |
47 |
|
F |
6 |
3 |
12225 |
◊ |
A |
x,y,z |
1_555 |
7 |
2 |
12220 |
76.1 |
2.1 |
0.893 |
0 |
0 |
0 |
0.000 |
48 |
|
H |
7 |
3 |
12214 |
◊ |
C |
x,y-1,z |
1_545 |
7 |
2 |
12202 |
75.8 |
2.2 |
0.890 |
0 |
0 |
0 |
0.000 |
Average: |
76.6 |
2.2 |
0.892 |
0 |
0 |
0 |
0.000 |
23 |
49 |
|
[0XM]O:5 |
9 |
1 |
371 |
◊ |
G |
x,y,z |
1_555 |
14 |
4 |
12187 |
77.4 |
-0.9 |
0.635 |
0 |
0 |
0 |
0.000 |
24 |
50 |
|
[0XM]P:5 |
12 |
1 |
371 |
◊ |
[0XM]M:5 |
x,y,z |
1_555 |
11 |
1 |
368 |
75.3 |
-2.2 |
0.814 |
0 |
0 |
0 |
0.000 |
25 |
51 |
|
[0XM]J:5 |
7 |
1 |
373 |
◊ |
C |
x-1,y,z |
1_455 |
8 |
3 |
12202 |
64.6 |
-0.8 |
0.429 |
0 |
0 |
0 |
0.000 |
52 |
|
B |
7 |
3 |
12209 |
◊ |
[0XM]K:5 |
x-1,y,z |
1_455 |
5 |
1 |
370 |
55.8 |
-0.5 |
0.472 |
0 |
0 |
0 |
0.000 |
Average: |
60.2 |
-0.6 |
0.450 |
0 |
0 |
0 |
0.000 |
26 |
53 |
|
G |
6 |
4 |
12187 |
x |
G |
x-1,y,z |
1_455 |
11 |
5 |
12187 |
60.4 |
0.3 |
0.576 |
0 |
0 |
0 |
0.000 |
54 |
|
E |
10 |
5 |
12228 |
x |
E |
x-1,y,z |
1_455 |
6 |
4 |
12228 |
60.1 |
0.2 |
0.546 |
0 |
0 |
0 |
0.000 |
55 |
|
H |
7 |
5 |
12214 |
x |
H |
x-1,y,z |
1_455 |
12 |
6 |
12214 |
59.8 |
0.2 |
0.548 |
0 |
0 |
0 |
0.000 |
56 |
|
C |
12 |
6 |
12202 |
x |
C |
x-1,y,z |
1_455 |
7 |
5 |
12202 |
59.8 |
0.3 |
0.551 |
0 |
0 |
0 |
0.000 |
57 |
|
B |
6 |
4 |
12209 |
x |
B |
x-1,y,z |
1_455 |
9 |
5 |
12209 |
59.6 |
0.1 |
0.564 |
0 |
0 |
0 |
0.000 |
58 |
|
F |
12 |
6 |
12225 |
x |
F |
x-1,y,z |
1_455 |
7 |
5 |
12225 |
59.4 |
0.3 |
0.560 |
0 |
0 |
0 |
0.000 |
59 |
|
A |
7 |
5 |
12220 |
x |
A |
x-1,y,z |
1_455 |
11 |
6 |
12220 |
59.2 |
0.3 |
0.568 |
0 |
0 |
0 |
0.000 |
60 |
|
D |
10 |
5 |
12211 |
x |
D |
x-1,y,z |
1_455 |
6 |
4 |
12211 |
58.6 |
0.2 |
0.546 |
0 |
0 |
0 |
0.000 |
Average: |
59.6 |
0.2 |
0.557 |
0 |
0 |
0 |
0.000 |
27 |
61 |
|
[0XM]M:5 |
6 |
1 |
368 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
12214 |
60.2 |
-0.5 |
0.449 |
0 |
0 |
0 |
0.000 |
28 |
62 |
|
[0XM]I:5 |
5 |
1 |
373 |
◊ |
D |
x,y,z-1 |
1_554 |
6 |
3 |
12211 |
57.5 |
-0.7 |
0.395 |
0 |
0 |
0 |
0.000 |
29 |
63 |
|
A |
7 |
3 |
12220 |
◊ |
[0XM]L:5 |
x,y,z-1 |
1_554 |
6 |
1 |
370 |
55.7 |
-0.5 |
0.445 |
0 |
0 |
0 |
0.000 |
30 |
64 |
|
[0XM]P:5 |
6 |
1 |
371 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
12228 |
55.7 |
-0.5 |
0.477 |
0 |
0 |
0 |
0.000 |
31 |
65 |
|
[0XM]O:5 |
6 |
1 |
371 |
◊ |
F |
x-1,y,z |
1_455 |
7 |
3 |
12225 |
55.3 |
-1.4 |
0.435 |
0 |
0 |
0 |
0.000 |
32 |
66 |
|
G |
6 |
3 |
12187 |
◊ |
[0XM]N:5 |
x-1,y,z |
1_455 |
5 |
1 |
372 |
48.9 |
-0.6 |
0.477 |
0 |
0 |
0 |
0.000 |
33 |
67 |
|
[0XM]O:5 |
2 |
1 |
371 |
◊ |
N |
x-1,y,z |
1_455 |
3 |
1 |
699 |
41.4 |
-1.3 |
0.429 |
0 |
0 |
0 |
0.000 |
34 |
68 |
|
[0XM]J:5 |
4 |
1 |
373 |
◊ |
K |
x-1,y,z |
1_455 |
3 |
1 |
691 |
37.8 |
-0.3 |
0.608 |
0 |
0 |
0 |
0.000 |
35 |
69 |
|
[0XM]M:5 |
6 |
1 |
368 |
◊ |
P |
x,y,z |
1_555 |
3 |
1 |
689 |
37.4 |
-0.4 |
0.631 |
0 |
0 |
0 |
0.000 |
36 |
70 |
|
I |
3 |
1 |
692 |
◊ |
[0XM]L:5 |
x,y,z-1 |
1_554 |
6 |
1 |
370 |
36.5 |
-0.6 |
0.616 |
0 |
0 |
0 |
0.000 |
37 |
71 |
|
J |
4 |
1 |
689 |
◊ |
[0XM]K:5 |
x-1,y,z |
1_455 |
6 |
1 |
370 |
35.2 |
-0.2 |
0.741 |
0 |
0 |
0 |
0.000 |
38 |
72 |
|
[0XM]I:5 |
3 |
1 |
373 |
◊ |
L |
x,y,z-1 |
1_554 |
2 |
1 |
682 |
32.7 |
-0.1 |
0.571 |
0 |
0 |
0 |
0.000 |
39 |
73 |
|
[0XM]P:5 |
4 |
1 |
371 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
688 |
32.2 |
-0.4 |
0.532 |
0 |
0 |
0 |
0.000 |
40 |
74 |
|
O |
2 |
1 |
678 |
◊ |
[0XM]N:5 |
x-1,y,z |
1_455 |
3 |
1 |
372 |
31.6 |
0.1 |
0.642 |
0 |
0 |
0 |
0.000 |
41 |
75 |
|
J |
6 |
2 |
689 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
2 |
12202 |
30.5 |
-0.1 |
0.758 |
1 |
0 |
0 |
0.000 |
76 |
|
G |
4 |
2 |
12187 |
◊ |
N |
x-1,y,z |
1_455 |
3 |
2 |
699 |
29.7 |
-0.1 |
0.715 |
0 |
0 |
0 |
0.000 |
77 |
|
M |
7 |
2 |
688 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
12214 |
26.1 |
-0.0 |
0.818 |
0 |
0 |
0 |
0.000 |
78 |
|
P |
5 |
2 |
689 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
12228 |
22.1 |
0.1 |
0.833 |
0 |
0 |
0 |
0.000 |
79 |
|
I |
4 |
2 |
692 |
◊ |
D |
x,y,z-1 |
1_554 |
1 |
1 |
12211 |
21.9 |
0.1 |
0.815 |
0 |
0 |
0 |
0.000 |
80 |
|
B |
1 |
1 |
12209 |
◊ |
K |
x-1,y,z |
1_455 |
5 |
2 |
691 |
21.5 |
0.1 |
0.826 |
0 |
0 |
0 |
0.000 |
Average: |
25.3 |
0.0 |
0.794 |
0 |
0 |
0 |
0.000 |
42 |
81 |
|
F |
3 |
1 |
12225 |
◊ |
B |
x,y-1,z |
1_545 |
6 |
3 |
12209 |
27.1 |
0.7 |
0.816 |
1 |
1 |
0 |
0.000 |
82 |
|
E |
6 |
3 |
12228 |
◊ |
A |
x-1,y,z+1 |
1_456 |
3 |
1 |
12220 |
24.7 |
0.7 |
0.809 |
1 |
1 |
0 |
0.000 |
83 |
|
D |
6 |
3 |
12211 |
◊ |
H |
x-1,y,z |
1_455 |
3 |
1 |
12214 |
22.4 |
0.6 |
0.806 |
0 |
1 |
0 |
0.000 |
84 |
|
G |
5 |
3 |
12187 |
◊ |
C |
x,y-1,z |
1_545 |
3 |
1 |
12202 |
22.1 |
0.6 |
0.809 |
0 |
1 |
0 |
0.000 |
Average: |
24.1 |
0.7 |
0.810 |
1 |
1 |
0 |
0.000 |
43 |
85 |
|
O |
7 |
2 |
678 |
◊ |
F |
x-1,y,z |
1_455 |
2 |
1 |
12225 |
26.1 |
-0.1 |
0.795 |
0 |
0 |
0 |
0.000 |
86 |
|
A |
2 |
1 |
12220 |
◊ |
L |
x,y,z-1 |
1_554 |
6 |
2 |
682 |
25.1 |
0.0 |
0.803 |
0 |
0 |
0 |
0.000 |
Average: |
25.6 |
-0.0 |
0.799 |
0 |
0 |
0 |
0.000 |
44 |
87 |
|
J |
2 |
1 |
689 |
◊ |
K |
x-1,y,z |
1_455 |
2 |
1 |
691 |
11.1 |
-0.4 |
0.623 |
0 |
0 |
0 |
0.000 |
88 |
|
P |
1 |
1 |
689 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
688 |
5.0 |
-0.2 |
0.657 |
0 |
0 |
0 |
0.000 |
Average: |
8.0 |
-0.3 |
0.640 |
0 |
0 |
0 |
0.000 |
45 |
89 |
|
I |
1 |
1 |
692 |
◊ |
L |
x,y,z-1 |
1_554 |
2 |
1 |
682 |
4.7 |
-0.2 |
0.671 |
0 |
0 |
0 |
0.000 |
90 |
|
O |
1 |
1 |
678 |
◊ |
N |
x-1,y,z |
1_455 |
1 |
1 |
699 |
4.7 |
-0.2 |
0.586 |
0 |
0 |
0 |
0.000 |
Average: |
4.7 |
-0.2 |
0.628 |
0 |
0 |
0 |
0.000 |
46 |
91 |
|
H |
1 |
1 |
12214 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
12211 |
2.3 |
-0.1 |
0.408 |
0 |
0 |
0 |
0.000 |
92 |
|
G |
1 |
1 |
12187 |
◊ |
C |
x-1,y-1,z |
1_445 |
1 |
1 |
12202 |
2.3 |
-0.1 |
0.411 |
0 |
0 |
0 |
0.000 |
93 |
|
A |
1 |
1 |
12220 |
◊ |
E |
x,y,z-1 |
1_554 |
1 |
1 |
12228 |
1.8 |
-0.1 |
0.437 |
0 |
0 |
0 |
0.000 |
94 |
|
B |
1 |
1 |
12209 |
◊ |
F |
x-1,y+1,z |
1_465 |
1 |
1 |
12225 |
1.2 |
-0.0 |
0.480 |
0 |
0 |
0 |
0.000 |
Average: |
1.9 |
-0.1 |
0.434 |
0 |
0 |
0 |
0.000 |
|