## |
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 |
137 |
37 |
10558 |
◊ |
C |
x,y,z |
1_555 |
138 |
38 |
10421 |
1326.2 |
-18.7 |
0.079 |
7 |
3 |
0 |
0.335 |
2 |
|
B |
131 |
37 |
9972 |
◊ |
A |
x,y,z |
1_555 |
130 |
38 |
10129 |
1316.8 |
-21.0 |
0.029 |
10 |
0 |
0 |
0.335 |
Average: |
1321.5 |
-19.9 |
0.054 |
9 |
2 |
0 |
0.335 |
2 |
3 |
|
A |
67 |
21 |
10129 |
◊ |
D |
-y,x-y,z-1/3 |
2_554 |
68 |
22 |
10558 |
659.5 |
1.0 |
0.801 |
12 |
5 |
0 |
0.000 |
4 |
|
C |
72 |
24 |
10421 |
◊ |
B |
x,y,z |
1_555 |
76 |
24 |
9972 |
629.2 |
-1.1 |
0.714 |
9 |
4 |
0 |
0.000 |
Average: |
644.3 |
-0.1 |
0.757 |
11 |
5 |
0 |
0.000 |
3 |
5 |
|
F |
50 |
3 |
975 |
◊ |
B |
x,y,z |
1_555 |
65 |
20 |
9972 |
492.4 |
-6.6 |
0.242 |
3 |
0 |
0 |
0.209 |
6 |
|
E |
48 |
3 |
946 |
◊ |
A |
x,y,z |
1_555 |
64 |
20 |
10129 |
490.8 |
-6.5 |
0.270 |
5 |
0 |
0 |
0.209 |
7 |
|
G |
49 |
3 |
930 |
◊ |
C |
x,y,z |
1_555 |
60 |
20 |
10421 |
465.2 |
-5.8 |
0.347 |
6 |
0 |
0 |
0.209 |
Average: |
482.8 |
-6.3 |
0.287 |
5 |
0 |
0 |
0.209 |
4 |
8 |
|
H |
47 |
3 |
929 |
◊ |
D |
x,y,z |
1_555 |
63 |
20 |
10558 |
469.6 |
-6.7 |
0.235 |
4 |
0 |
0 |
0.189 |
5 |
9 |
|
C |
44 |
10 |
10421 |
◊ |
D |
x-1,y-1,z |
1_445 |
49 |
16 |
10558 |
437.3 |
-0.8 |
0.676 |
4 |
0 |
0 |
0.000 |
10 |
|
C |
49 |
16 |
10421 |
◊ |
D |
x,y-1,z |
1_545 |
40 |
11 |
10558 |
421.2 |
2.2 |
0.829 |
5 |
0 |
0 |
0.000 |
Average: |
429.2 |
0.7 |
0.753 |
5 |
0 |
0 |
0.000 |
6 |
11 |
|
A |
33 |
11 |
10129 |
x |
A |
x-1,y-1,z |
1_445 |
43 |
12 |
10129 |
307.1 |
-2.2 |
0.523 |
1 |
0 |
0 |
0.000 |
12 |
|
B |
34 |
11 |
9972 |
x |
B |
x-1,y-1,z |
1_445 |
38 |
11 |
9972 |
305.8 |
-1.1 |
0.588 |
2 |
0 |
0 |
0.000 |
13 |
|
C |
31 |
10 |
10421 |
x |
C |
x-1,y,z |
1_455 |
37 |
10 |
10421 |
279.5 |
-2.6 |
0.454 |
1 |
0 |
0 |
0.000 |
14 |
|
D |
30 |
11 |
10558 |
x |
D |
x-1,y,z |
1_455 |
32 |
9 |
10558 |
261.4 |
-1.7 |
0.533 |
1 |
0 |
0 |
0.000 |
Average: |
288.5 |
-1.9 |
0.525 |
1 |
0 |
0 |
0.000 |
7 |
15 |
|
E |
20 |
2 |
946 |
◊ |
B |
x,y,z |
1_555 |
17 |
6 |
9972 |
162.2 |
-2.2 |
0.554 |
3 |
0 |
0 |
0.057 |
16 |
|
F |
17 |
2 |
975 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
10129 |
146.7 |
-2.1 |
0.514 |
2 |
0 |
0 |
0.057 |
17 |
|
G |
17 |
2 |
930 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
10558 |
120.0 |
-2.3 |
0.394 |
1 |
0 |
0 |
0.057 |
Average: |
143.0 |
-2.2 |
0.487 |
2 |
0 |
0 |
0.057 |
8 |
18 |
|
A |
17 |
6 |
10129 |
x |
A |
x-1,y,z |
1_455 |
18 |
8 |
10129 |
131.5 |
-1.4 |
0.353 |
0 |
0 |
0 |
0.000 |
19 |
|
B |
15 |
5 |
9972 |
x |
B |
x,y-1,z |
1_545 |
14 |
6 |
9972 |
127.5 |
-1.2 |
0.384 |
0 |
0 |
0 |
0.000 |
Average: |
129.5 |
-1.3 |
0.368 |
0 |
0 |
0 |
0.000 |
9 |
20 |
|
H |
17 |
2 |
929 |
◊ |
C |
x,y,z |
1_555 |
13 |
4 |
10421 |
119.9 |
-1.5 |
0.452 |
1 |
0 |
0 |
0.017 |
10 |
21 |
|
C |
11 |
4 |
10421 |
◊ |
G |
x,y-1,z |
1_545 |
14 |
2 |
930 |
109.5 |
-2.4 |
0.299 |
0 |
0 |
0 |
0.000 |
11 |
22 |
|
H |
13 |
2 |
929 |
◊ |
D |
x-1,y-1,z |
1_445 |
10 |
4 |
10558 |
95.7 |
-2.8 |
0.288 |
0 |
0 |
0 |
0.000 |
12 |
23 |
|
[CO]B:302 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
18 |
7 |
9972 |
80.5 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.325 |
24 |
|
[CO]A:302 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
18 |
7 |
10129 |
80.1 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.325 |
25 |
|
[CO]D:302 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
15 |
7 |
10558 |
79.2 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.325 |
26 |
|
[CO]C:302 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
10421 |
78.2 |
-12.2 |
0.000 |
0 |
0 |
0 |
0.325 |
Average: |
79.5 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.325 |
13 |
27 |
|
A |
5 |
2 |
10129 |
x |
A |
x,y-1,z |
1_545 |
13 |
4 |
10129 |
72.4 |
1.7 |
0.853 |
1 |
0 |
0 |
0.000 |
28 |
|
B |
4 |
1 |
9972 |
x |
B |
x-1,y,z |
1_455 |
4 |
3 |
9972 |
35.1 |
0.2 |
0.596 |
0 |
0 |
0 |
0.000 |
Average: |
53.8 |
0.9 |
0.725 |
1 |
0 |
0 |
0.000 |
14 |
29 |
|
C |
6 |
3 |
10421 |
x |
C |
x-1,y-1,z |
1_445 |
7 |
4 |
10421 |
62.8 |
2.0 |
0.890 |
2 |
0 |
0 |
0.000 |
30 |
|
D |
5 |
4 |
10558 |
x |
D |
x,y-1,z |
1_545 |
5 |
3 |
10558 |
62.5 |
2.2 |
0.927 |
1 |
0 |
0 |
0.000 |
Average: |
62.7 |
2.1 |
0.908 |
2 |
0 |
0 |
0.000 |
15 |
31 |
|
C |
7 |
2 |
10421 |
◊ |
B |
x-1,y,z |
1_455 |
11 |
3 |
9972 |
62.0 |
-0.3 |
0.444 |
0 |
0 |
0 |
0.000 |
32 |
|
A |
9 |
3 |
10129 |
◊ |
D |
-y,x-y+1,z-1/3 |
2_564 |
7 |
2 |
10558 |
60.7 |
-0.5 |
0.423 |
0 |
0 |
0 |
0.000 |
Average: |
61.4 |
-0.4 |
0.434 |
0 |
0 |
0 |
0.000 |
16 |
33 |
|
C |
9 |
5 |
10421 |
◊ |
D |
x-1,y,z |
1_455 |
6 |
4 |
10558 |
52.2 |
-0.2 |
0.425 |
0 |
0 |
0 |
0.000 |
34 |
|
D |
9 |
5 |
10558 |
◊ |
C |
x-1,y,z |
1_455 |
4 |
2 |
10421 |
39.3 |
0.4 |
0.753 |
0 |
0 |
0 |
0.000 |
35 |
|
B |
2 |
2 |
9972 |
◊ |
A |
x-1,y-1,z |
1_445 |
2 |
2 |
10129 |
2.0 |
0.0 |
0.628 |
0 |
0 |
0 |
0.000 |
36 |
|
A |
1 |
1 |
10129 |
◊ |
B |
x-1,y-1,z |
1_445 |
1 |
1 |
9972 |
0.1 |
0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
Average: |
23.4 |
0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
17 |
37 |
|
[CO]D:301 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
9 |
6 |
10558 |
46.3 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.206 |
38 |
|
[CO]C:301 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
9 |
6 |
10421 |
46.1 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.206 |
Average: |
46.2 |
-8.0 |
0.000 |
0 |
0 |
0 |
0.206 |
18 |
39 |
|
[MG]E:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
10129 |
43.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.119 |
40 |
|
[MG]G:101 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
13 |
7 |
10421 |
43.2 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.119 |
41 |
|
[MG]H:101 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
13 |
7 |
10558 |
43.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.119 |
42 |
|
[MG]F:101 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
13 |
7 |
9972 |
42.7 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
43.1 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.119 |
19 |
43 |
|
[MG]A:301 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
6 |
10129 |
40.0 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.163 |
44 |
|
[MG]B:301 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
9972 |
39.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.163 |
Average: |
39.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.163 |
20 |
45 |
|
C |
6 |
4 |
10421 |
x |
C |
x,y-1,z |
1_545 |
6 |
2 |
10421 |
37.9 |
0.0 |
0.600 |
0 |
0 |
0 |
0.000 |
46 |
|
D |
1 |
1 |
10558 |
x |
D |
x-1,y-1,z |
1_445 |
1 |
1 |
10558 |
0.8 |
-0.0 |
0.557 |
0 |
0 |
0 |
0.000 |
Average: |
19.3 |
-0.0 |
0.578 |
0 |
0 |
0 |
0.000 |
21 |
47 |
|
[CO]C:301 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
6 |
1 |
930 |
35.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.105 |
22 |
48 |
|
[CO]D:301 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
6 |
1 |
929 |
35.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.104 |
23 |
49 |
|
[MG]F:101 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
975 |
32.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.104 |
50 |
|
[MG]E:101 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
946 |
32.5 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.104 |
51 |
|
[MG]G:101 |
1 |
1 |
98 |
◊ |
G |
x,y,z |
1_555 |
7 |
2 |
930 |
31.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.104 |
Average: |
32.0 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.104 |
24 |
52 |
|
[MG]H:101 |
1 |
1 |
98 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
929 |
30.9 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.091 |
53 |
|
[MG]A:301 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
946 |
26.7 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.091 |
54 |
|
[MG]B:301 |
1 |
1 |
98 |
◊ |
F |
x,y,z |
1_555 |
4 |
1 |
975 |
26.6 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.091 |
Average: |
28.1 |
-3.8 |
0.000 |
0 |
0 |
0 |
0.091 |
25 |
55 |
|
[CO]C:301 |
1 |
1 |
125 |
f |
[MG]G:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.058 |
26 |
56 |
|
[CO]D:301 |
1 |
1 |
125 |
f |
[MG]H:101 |
x,y,z |
1_555 |
1 |
1 |
98 |
12.8 |
-2.6 |
0.000 |
0 |
0 |
0 |
0.057 |
27 |
57 |
|
[MG]E:101 |
1 |
1 |
98 |
f |
[MG]A:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
11.0 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.053 |
28 |
58 |
|
[MG]F:101 |
1 |
1 |
98 |
f |
[MG]B:301 |
x,y,z |
1_555 |
1 |
1 |
98 |
10.9 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.053 |
29 |
59 |
|
A |
1 |
1 |
10129 |
◊ |
D |
-y-1,x-y,z-1/3 |
2_454 |
1 |
1 |
10558 |
0.8 |
-0.0 |
0.565 |
0 |
0 |
0 |
0.000 |
|