## |
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 |
|
B |
125 |
11 |
4238 |
◊ |
A |
x,y,z |
1_555 |
147 |
48 |
21698 |
1253.6 |
-22.4 |
0.565 |
13 |
0 |
0 |
0.510 |
2 |
|
F |
125 |
11 |
4224 |
◊ |
E |
x,y,z |
1_555 |
148 |
49 |
21665 |
1247.7 |
-22.5 |
0.565 |
13 |
0 |
0 |
0.510 |
3 |
|
J |
123 |
11 |
4453 |
◊ |
I |
x,y,z |
1_555 |
145 |
50 |
21778 |
1215.5 |
-23.3 |
0.602 |
15 |
0 |
0 |
0.510 |
4 |
|
N |
121 |
11 |
4445 |
◊ |
M |
x,y,z |
1_555 |
149 |
50 |
21759 |
1213.7 |
-23.3 |
0.605 |
15 |
0 |
0 |
0.510 |
Average: |
1232.6 |
-22.9 |
0.584 |
14 |
0 |
0 |
0.510 |
2 |
5 |
|
G |
72 |
8 |
3285 |
◊ |
E |
x,y,z |
1_555 |
83 |
28 |
21665 |
716.1 |
-14.6 |
0.466 |
12 |
0 |
0 |
0.392 |
6 |
|
C |
74 |
8 |
3288 |
◊ |
A |
x,y,z |
1_555 |
82 |
27 |
21698 |
715.4 |
-14.6 |
0.469 |
11 |
0 |
0 |
0.392 |
7 |
|
K |
72 |
8 |
3283 |
◊ |
I |
x,y,z |
1_555 |
81 |
26 |
21778 |
714.5 |
-13.3 |
0.541 |
12 |
0 |
0 |
0.392 |
8 |
|
O |
69 |
8 |
3284 |
◊ |
M |
x,y,z |
1_555 |
82 |
27 |
21759 |
713.0 |
-13.2 |
0.533 |
12 |
0 |
0 |
0.392 |
Average: |
714.7 |
-13.9 |
0.502 |
12 |
0 |
0 |
0.392 |
3 |
9 |
|
C |
62 |
12 |
3288 |
◊ |
B |
x,y,z |
1_555 |
69 |
13 |
4238 |
600.3 |
-4.9 |
0.937 |
31 |
0 |
0 |
1.000 |
10 |
|
K |
63 |
12 |
3283 |
◊ |
J |
x,y,z |
1_555 |
66 |
13 |
4453 |
597.9 |
-5.3 |
0.938 |
30 |
0 |
0 |
1.000 |
11 |
|
G |
63 |
12 |
3285 |
◊ |
F |
x,y,z |
1_555 |
69 |
13 |
4224 |
597.2 |
-4.7 |
0.941 |
31 |
0 |
0 |
1.000 |
12 |
|
O |
63 |
12 |
3284 |
◊ |
N |
x,y,z |
1_555 |
68 |
13 |
4445 |
594.8 |
-5.1 |
0.946 |
30 |
0 |
0 |
1.000 |
Average: |
597.6 |
-5.0 |
0.940 |
31 |
0 |
0 |
1.000 |
4 |
13 |
|
A |
50 |
13 |
21698 |
◊ |
E |
x-1,y,z |
1_455 |
45 |
12 |
21665 |
438.5 |
-7.7 |
0.051 |
1 |
0 |
0 |
0.000 |
14 |
|
A |
43 |
12 |
21698 |
◊ |
E |
x,y-1,z |
1_545 |
49 |
13 |
21665 |
436.4 |
-7.7 |
0.045 |
1 |
0 |
0 |
0.000 |
15 |
|
I |
44 |
12 |
21778 |
◊ |
M |
x,y-1,z |
1_545 |
51 |
13 |
21759 |
427.5 |
-7.8 |
0.057 |
1 |
0 |
0 |
0.000 |
16 |
|
I |
52 |
13 |
21778 |
◊ |
M |
x-1,y,z |
1_455 |
43 |
12 |
21759 |
424.0 |
-7.7 |
0.059 |
1 |
0 |
0 |
0.000 |
Average: |
431.6 |
-7.7 |
0.053 |
1 |
0 |
0 |
0.000 |
5 |
17 |
|
I |
47 |
14 |
21778 |
◊ |
E |
x,y,z |
1_555 |
40 |
15 |
21665 |
332.1 |
-1.8 |
0.473 |
3 |
0 |
0 |
0.000 |
18 |
|
A |
40 |
14 |
21698 |
◊ |
M |
x-1,y-1,z+1 |
1_446 |
47 |
14 |
21759 |
330.6 |
-1.8 |
0.477 |
3 |
0 |
0 |
0.000 |
Average: |
331.4 |
-1.8 |
0.475 |
3 |
0 |
0 |
0.000 |
6 |
19 |
|
[DCT]E:4003 |
24 |
1 |
551 |
◊ |
E |
x,y,z |
1_555 |
34 |
16 |
21665 |
272.1 |
3.3 |
0.732 |
5 |
0 |
0 |
0.000 |
20 |
|
[DCT]A:4004 |
23 |
1 |
552 |
◊ |
A |
x,y,z |
1_555 |
35 |
15 |
21698 |
269.0 |
3.8 |
0.748 |
3 |
0 |
0 |
0.000 |
21 |
|
[DCT]M:4001 |
25 |
1 |
555 |
◊ |
M |
x,y,z |
1_555 |
34 |
14 |
21759 |
258.9 |
2.8 |
0.706 |
5 |
0 |
0 |
0.000 |
22 |
|
[DCT]I:4002 |
24 |
1 |
559 |
◊ |
I |
x,y,z |
1_555 |
31 |
14 |
21778 |
258.1 |
3.4 |
0.725 |
4 |
0 |
0 |
0.000 |
Average: |
264.5 |
3.3 |
0.728 |
4 |
0 |
0 |
0.000 |
7 |
23 |
|
L |
26 |
4 |
1159 |
◊ |
J |
x,y,z |
1_555 |
27 |
4 |
4453 |
207.6 |
-1.1 |
0.884 |
8 |
0 |
0 |
0.000 |
24 |
|
P |
27 |
4 |
1157 |
◊ |
N |
x,y,z |
1_555 |
24 |
4 |
4445 |
207.2 |
-0.9 |
0.873 |
8 |
0 |
0 |
0.000 |
Average: |
207.4 |
-1.0 |
0.878 |
8 |
0 |
0 |
0.000 |
8 |
25 |
|
D |
27 |
3 |
927 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
21698 |
191.6 |
0.3 |
0.656 |
1 |
0 |
0 |
0.000 |
26 |
|
H |
28 |
3 |
928 |
◊ |
E |
x,y,z |
1_555 |
21 |
7 |
21665 |
188.9 |
0.4 |
0.660 |
1 |
0 |
0 |
0.000 |
Average: |
190.2 |
0.3 |
0.658 |
1 |
0 |
0 |
0.000 |
9 |
27 |
|
L |
25 |
3 |
1159 |
◊ |
I |
x,y,z |
1_555 |
23 |
7 |
21778 |
190.3 |
0.0 |
0.746 |
1 |
0 |
0 |
0.000 |
28 |
|
P |
25 |
3 |
1157 |
◊ |
M |
x,y,z |
1_555 |
23 |
7 |
21759 |
188.9 |
-0.0 |
0.744 |
1 |
0 |
0 |
0.000 |
Average: |
189.6 |
-0.0 |
0.745 |
1 |
0 |
0 |
0.000 |
10 |
29 |
|
A |
20 |
5 |
21698 |
◊ |
B |
x,y-1,z |
1_545 |
20 |
4 |
4238 |
174.9 |
-6.1 |
0.403 |
3 |
0 |
0 |
0.130 |
30 |
|
F |
20 |
4 |
4224 |
◊ |
E |
x-1,y,z |
1_455 |
20 |
5 |
21665 |
173.8 |
-5.9 |
0.418 |
3 |
0 |
0 |
0.130 |
31 |
|
N |
20 |
4 |
4445 |
◊ |
M |
x-1,y,z |
1_455 |
19 |
6 |
21759 |
173.6 |
-5.6 |
0.435 |
3 |
0 |
0 |
0.130 |
32 |
|
I |
19 |
6 |
21778 |
◊ |
J |
x,y-1,z |
1_545 |
20 |
4 |
4453 |
173.2 |
-5.6 |
0.435 |
3 |
0 |
0 |
0.130 |
Average: |
173.9 |
-5.8 |
0.423 |
3 |
0 |
0 |
0.130 |
11 |
33 |
|
H |
20 |
3 |
928 |
◊ |
F |
x,y,z |
1_555 |
21 |
3 |
4224 |
172.0 |
-0.6 |
0.826 |
9 |
0 |
0 |
0.074 |
34 |
|
D |
20 |
3 |
927 |
◊ |
B |
x,y,z |
1_555 |
21 |
3 |
4238 |
171.4 |
-0.4 |
0.836 |
8 |
0 |
0 |
0.074 |
Average: |
171.7 |
-0.5 |
0.831 |
9 |
0 |
0 |
0.074 |
12 |
35 |
|
O |
21 |
3 |
3284 |
◊ |
K |
x,y,z |
1_555 |
21 |
3 |
3283 |
159.3 |
-2.7 |
0.734 |
6 |
0 |
0 |
0.000 |
36 |
|
G |
19 |
3 |
3285 |
◊ |
C |
x,y,z |
1_555 |
19 |
3 |
3288 |
156.2 |
-2.6 |
0.721 |
6 |
0 |
0 |
0.000 |
Average: |
157.7 |
-2.6 |
0.728 |
6 |
0 |
0 |
0.000 |
13 |
37 |
|
A |
19 |
6 |
21698 |
◊ |
M |
x-1,y-2,z+1 |
1_436 |
17 |
5 |
21759 |
158.2 |
0.2 |
0.572 |
2 |
0 |
0 |
0.000 |
38 |
|
I |
17 |
5 |
21778 |
◊ |
E |
x-1,y,z |
1_455 |
19 |
6 |
21665 |
158.0 |
0.2 |
0.567 |
2 |
0 |
0 |
0.000 |
Average: |
158.1 |
0.2 |
0.569 |
2 |
0 |
0 |
0.000 |
14 |
39 |
|
E |
11 |
4 |
21665 |
x |
E |
x-1,y,z |
1_455 |
17 |
7 |
21665 |
142.7 |
-1.2 |
0.383 |
1 |
0 |
0 |
0.000 |
40 |
|
A |
17 |
7 |
21698 |
x |
A |
x,y-1,z |
1_545 |
11 |
4 |
21698 |
141.9 |
-1.2 |
0.389 |
1 |
0 |
0 |
0.000 |
41 |
|
M |
10 |
3 |
21759 |
x |
M |
x-1,y,z |
1_455 |
15 |
6 |
21759 |
138.1 |
-1.4 |
0.351 |
1 |
0 |
0 |
0.000 |
42 |
|
I |
15 |
6 |
21778 |
x |
I |
x,y-1,z |
1_545 |
10 |
3 |
21778 |
138.0 |
-1.4 |
0.352 |
1 |
0 |
0 |
0.000 |
Average: |
140.1 |
-1.3 |
0.369 |
1 |
0 |
0 |
0.000 |
15 |
43 |
|
[IPA]I:6026 |
4 |
1 |
198 |
f |
I |
x,y,z |
1_555 |
29 |
14 |
21778 |
134.7 |
5.1 |
0.467 |
0 |
0 |
0 |
0.000 |
16 |
44 |
|
[IPA]M:6025 |
4 |
1 |
199 |
f |
M |
x,y,z |
1_555 |
20 |
11 |
21759 |
128.1 |
5.3 |
0.470 |
2 |
0 |
0 |
0.000 |
17 |
45 |
|
C |
17 |
1 |
3288 |
◊ |
F |
x,y,z |
1_555 |
15 |
2 |
4224 |
114.1 |
1.0 |
0.873 |
0 |
0 |
0 |
0.000 |
46 |
|
O |
17 |
1 |
3284 |
◊ |
J |
x,y,z |
1_555 |
15 |
2 |
4453 |
114.0 |
1.0 |
0.872 |
0 |
0 |
0 |
0.000 |
47 |
|
G |
17 |
1 |
3285 |
◊ |
B |
x,y,z |
1_555 |
15 |
2 |
4238 |
113.5 |
0.9 |
0.869 |
0 |
0 |
0 |
0.000 |
48 |
|
K |
17 |
1 |
3283 |
◊ |
N |
x,y,z |
1_555 |
15 |
2 |
4445 |
113.1 |
1.0 |
0.872 |
0 |
0 |
0 |
0.000 |
Average: |
113.7 |
1.0 |
0.871 |
0 |
0 |
0 |
0.000 |
18 |
49 |
|
[DCT]A:4004 |
15 |
1 |
552 |
◊ |
C |
x,y,z |
1_555 |
17 |
1 |
3288 |
113.5 |
1.7 |
0.693 |
0 |
0 |
0 |
0.000 |
50 |
|
[DCT]M:4001 |
15 |
1 |
555 |
◊ |
O |
x,y,z |
1_555 |
17 |
1 |
3284 |
111.5 |
1.8 |
0.708 |
0 |
0 |
0 |
0.000 |
51 |
|
[DCT]I:4002 |
16 |
1 |
559 |
◊ |
K |
x,y,z |
1_555 |
17 |
1 |
3283 |
110.9 |
2.3 |
0.716 |
0 |
0 |
0 |
0.000 |
52 |
|
[DCT]E:4003 |
15 |
1 |
551 |
◊ |
G |
x,y,z |
1_555 |
15 |
1 |
3285 |
106.2 |
2.3 |
0.740 |
0 |
0 |
0 |
0.000 |
Average: |
110.5 |
2.0 |
0.714 |
0 |
0 |
0 |
0.000 |
19 |
53 |
|
[IPA]I:6015 |
4 |
1 |
198 |
f |
I |
x,y,z |
1_555 |
18 |
7 |
21778 |
113.1 |
3.5 |
0.435 |
3 |
0 |
0 |
0.000 |
20 |
54 |
|
[IPA]E:6028 |
4 |
1 |
199 |
◊ |
E |
x,y,z |
1_555 |
20 |
8 |
21665 |
111.1 |
3.3 |
0.365 |
1 |
0 |
0 |
0.000 |
21 |
55 |
|
[IPA]M:6031 |
4 |
1 |
195 |
◊ |
M |
x,y,z |
1_555 |
16 |
6 |
21759 |
109.0 |
3.4 |
0.356 |
1 |
0 |
0 |
0.000 |
22 |
56 |
|
[IPA]I:6023 |
4 |
1 |
197 |
◊ |
I |
x,y,z |
1_555 |
17 |
8 |
21778 |
108.9 |
3.2 |
0.361 |
1 |
0 |
0 |
0.000 |
23 |
57 |
|
[IPA]A:6008 |
4 |
1 |
199 |
f |
A |
x,y,z |
1_555 |
17 |
7 |
21698 |
107.3 |
3.3 |
0.364 |
2 |
0 |
0 |
0.000 |
24 |
58 |
|
[IPA]E:6007 |
4 |
1 |
197 |
f |
E |
x,y,z |
1_555 |
17 |
7 |
21665 |
105.2 |
3.0 |
0.358 |
2 |
0 |
0 |
0.000 |
25 |
59 |
|
[IPA]E:6010 |
4 |
1 |
198 |
◊ |
E |
x,y,z |
1_555 |
22 |
8 |
21665 |
103.6 |
3.7 |
0.423 |
0 |
0 |
0 |
0.000 |
26 |
60 |
|
[IPA]O:6009 |
4 |
1 |
199 |
◊ |
M |
x,y,z |
1_555 |
20 |
8 |
21759 |
101.9 |
3.8 |
0.436 |
0 |
0 |
0 |
0.000 |
27 |
61 |
|
[IPA]A:6032 |
4 |
1 |
197 |
◊ |
A |
x,y,z |
1_555 |
15 |
6 |
21698 |
99.6 |
2.6 |
0.202 |
0 |
0 |
0 |
0.000 |
28 |
62 |
|
[IPA]E:6027 |
4 |
1 |
198 |
f |
E |
x,y,z |
1_555 |
10 |
4 |
21665 |
63.6 |
1.3 |
0.689 |
2 |
0 |
0 |
0.000 |
29 |
63 |
|
[IPA]O:6009 |
4 |
1 |
199 |
f |
O |
x,y,z |
1_555 |
8 |
2 |
3284 |
63.2 |
-0.6 |
0.578 |
2 |
0 |
0 |
0.100 |
30 |
64 |
|
[DCT]I:4002 |
5 |
1 |
559 |
f |
J |
x,y,z |
1_555 |
8 |
2 |
4453 |
61.3 |
-0.4 |
0.598 |
3 |
0 |
0 |
0.162 |
65 |
|
[DCT]M:4001 |
5 |
1 |
555 |
f |
N |
x,y,z |
1_555 |
8 |
2 |
4445 |
61.1 |
-0.4 |
0.609 |
3 |
0 |
0 |
0.162 |
66 |
|
[DCT]E:4003 |
4 |
1 |
551 |
f |
F |
x,y,z |
1_555 |
9 |
2 |
4224 |
60.6 |
-0.4 |
0.619 |
3 |
0 |
0 |
0.162 |
67 |
|
[DCT]A:4004 |
4 |
1 |
552 |
f |
B |
x,y,z |
1_555 |
9 |
2 |
4238 |
59.1 |
-0.4 |
0.613 |
3 |
0 |
0 |
0.162 |
Average: |
60.5 |
-0.4 |
0.610 |
3 |
0 |
0 |
0.162 |
31 |
68 |
|
[IPA]E:6010 |
3 |
1 |
198 |
f |
G |
x,y,z |
1_555 |
8 |
2 |
3285 |
61.1 |
-0.8 |
0.202 |
2 |
0 |
0 |
0.100 |
32 |
69 |
|
[ZN]I:2003 |
1 |
1 |
98 |
f |
I |
x,y,z |
1_555 |
6 |
4 |
21778 |
50.2 |
-36.1 |
0.000 |
0 |
0 |
0 |
0.759 |
70 |
|
[ZN]M:2004 |
1 |
1 |
98 |
f |
M |
x,y,z |
1_555 |
6 |
4 |
21759 |
50.2 |
-35.5 |
0.000 |
0 |
0 |
0 |
0.759 |
71 |
|
[ZN]A:2001 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
5 |
4 |
21698 |
49.8 |
-38.8 |
0.000 |
0 |
0 |
0 |
0.759 |
72 |
|
[ZN]E:2002 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
5 |
3 |
21665 |
41.7 |
-32.3 |
0.000 |
0 |
0 |
0 |
0.759 |
Average: |
48.0 |
-35.7 |
0.000 |
0 |
0 |
0 |
0.759 |
33 |
73 |
|
A |
3 |
1 |
21698 |
◊ |
E |
x-1,y-1,z |
1_445 |
3 |
1 |
21665 |
28.0 |
-0.1 |
0.530 |
0 |
0 |
0 |
0.000 |
74 |
|
I |
3 |
1 |
21778 |
◊ |
M |
x-1,y-1,z |
1_445 |
3 |
1 |
21759 |
27.1 |
0.4 |
0.774 |
0 |
0 |
0 |
0.000 |
Average: |
27.5 |
0.1 |
0.652 |
0 |
0 |
0 |
0.000 |
34 |
75 |
|
E |
3 |
1 |
21665 |
x |
E |
x,y-1,z |
1_545 |
4 |
1 |
21665 |
23.9 |
0.1 |
0.584 |
0 |
0 |
0 |
0.000 |
76 |
|
I |
6 |
1 |
21778 |
x |
I |
x-1,y,z |
1_455 |
2 |
1 |
21778 |
23.5 |
0.1 |
0.637 |
0 |
0 |
0 |
0.000 |
77 |
|
M |
2 |
1 |
21759 |
x |
M |
x,y-1,z |
1_545 |
7 |
1 |
21759 |
23.4 |
0.1 |
0.650 |
0 |
0 |
0 |
0.000 |
78 |
|
A |
4 |
1 |
21698 |
x |
A |
x-1,y,z |
1_455 |
3 |
1 |
21698 |
23.4 |
0.1 |
0.596 |
0 |
0 |
0 |
0.000 |
Average: |
23.5 |
0.1 |
0.617 |
0 |
0 |
0 |
0.000 |
35 |
79 |
|
A |
3 |
2 |
21698 |
◊ |
M |
x-2,y-1,z+1 |
1_346 |
4 |
2 |
21759 |
18.4 |
0.5 |
0.773 |
0 |
0 |
0 |
0.000 |
80 |
|
I |
4 |
2 |
21778 |
◊ |
E |
x,y-1,z |
1_545 |
3 |
2 |
21665 |
18.4 |
0.5 |
0.768 |
0 |
0 |
0 |
0.000 |
Average: |
18.4 |
0.5 |
0.771 |
0 |
0 |
0 |
0.000 |
36 |
81 |
|
[IPA]E:6027 |
2 |
1 |
198 |
f |
[ZN]E:2002 |
x,y,z |
1_555 |
1 |
1 |
98 |
18.2 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.120 |
37 |
82 |
|
[IPA]A:6032 |
1 |
1 |
197 |
f |
B |
x,y-1,z |
1_545 |
4 |
2 |
4238 |
16.2 |
0.7 |
0.585 |
0 |
0 |
0 |
0.000 |
38 |
83 |
|
[IPA]I:6023 |
1 |
1 |
197 |
f |
J |
x,y-1,z |
1_545 |
1 |
1 |
4453 |
4.7 |
0.3 |
0.809 |
0 |
0 |
0 |
0.000 |
39 |
84 |
|
N |
1 |
1 |
4445 |
f |
[IPA]M:6031 |
x-1,y,z |
1_455 |
1 |
1 |
195 |
2.2 |
0.1 |
0.767 |
0 |
0 |
0 |
0.000 |
40 |
85 |
|
F |
1 |
1 |
4224 |
f |
[IPA]E:6028 |
x-1,y,z |
1_455 |
1 |
1 |
199 |
1.8 |
0.1 |
0.755 |
0 |
0 |
0 |
0.000 |
|