| ## |
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 |
|
F |
200 |
49 |
10961 |
◊ |
E |
x,y,z |
1_555 |
209 |
50 |
10961 |
1959.7 |
-35.5 |
0.016 |
15 |
2 |
0 |
1.000 |
2 |
|
I |
197 |
48 |
10968 |
◊ |
B |
x,y,z |
1_555 |
203 |
49 |
11011 |
1956.3 |
-35.6 |
0.013 |
14 |
3 |
0 |
1.000 |
3 |
|
H |
201 |
50 |
11001 |
◊ |
C |
x,y,z |
1_555 |
201 |
50 |
10936 |
1952.4 |
-35.6 |
0.012 |
14 |
3 |
0 |
1.000 |
4 |
|
G |
200 |
49 |
10965 |
◊ |
D |
x,y,z |
1_555 |
199 |
49 |
10961 |
1952.1 |
-35.3 |
0.013 |
13 |
3 |
0 |
1.000 |
5 |
|
J |
204 |
49 |
10964 |
◊ |
A |
x,y,z |
1_555 |
198 |
49 |
10970 |
1939.1 |
-35.8 |
0.012 |
14 |
2 |
0 |
1.000 |
| Average: |
1951.9 |
-35.6 |
0.013 |
14 |
3 |
0 |
1.000 |
| 2 |
6 |
|
B |
119 |
32 |
11011 |
◊ |
A |
x,y,z |
1_555 |
129 |
36 |
10970 |
1196.1 |
-4.1 |
0.760 |
13 |
9 |
0 |
1.000 |
7 |
|
J |
121 |
32 |
10964 |
◊ |
I |
x,y,z |
1_555 |
126 |
36 |
10968 |
1193.9 |
-3.6 |
0.776 |
14 |
9 |
0 |
1.000 |
8 |
|
G |
116 |
30 |
10965 |
◊ |
F |
x,y,z |
1_555 |
121 |
34 |
10961 |
1142.4 |
-3.8 |
0.761 |
14 |
8 |
0 |
1.000 |
9 |
|
D |
117 |
30 |
10961 |
◊ |
C |
x,y,z |
1_555 |
122 |
35 |
10936 |
1135.0 |
-4.6 |
0.726 |
13 |
7 |
0 |
1.000 |
10 |
|
E |
114 |
30 |
10961 |
◊ |
D |
x,y,z |
1_555 |
124 |
35 |
10961 |
1134.0 |
-4.4 |
0.736 |
14 |
8 |
0 |
1.000 |
11 |
|
J |
123 |
34 |
10964 |
◊ |
F |
x,y,z |
1_555 |
114 |
28 |
10961 |
1127.7 |
-4.4 |
0.735 |
13 |
8 |
0 |
1.000 |
12 |
|
H |
112 |
30 |
11001 |
◊ |
G |
x,y,z |
1_555 |
126 |
36 |
10965 |
1126.2 |
-3.7 |
0.756 |
13 |
8 |
0 |
1.000 |
13 |
|
I |
112 |
29 |
10968 |
◊ |
H |
x,y,z |
1_555 |
123 |
35 |
11001 |
1124.1 |
-4.0 |
0.744 |
15 |
8 |
0 |
1.000 |
14 |
|
E |
126 |
35 |
10961 |
◊ |
A |
x,y,z |
1_555 |
109 |
28 |
10970 |
1121.6 |
-4.3 |
0.741 |
15 |
8 |
0 |
1.000 |
15 |
|
C |
112 |
27 |
10936 |
◊ |
B |
x,y,z |
1_555 |
119 |
35 |
11011 |
1107.8 |
-4.5 |
0.722 |
11 |
6 |
0 |
1.000 |
| Average: |
1140.9 |
-4.1 |
0.746 |
14 |
8 |
0 |
1.000 |
| 3 |
16 |
|
T |
104 |
27 |
5874 |
◊ |
P |
x,y,z |
1_555 |
114 |
33 |
5872 |
1097.2 |
-13.3 |
0.194 |
14 |
9 |
0 |
0.170 |
17 |
|
Q |
113 |
33 |
5846 |
◊ |
P |
x,y,z |
1_555 |
107 |
27 |
5872 |
1095.9 |
-13.0 |
0.206 |
14 |
10 |
0 |
0.170 |
18 |
|
L |
113 |
32 |
5892 |
◊ |
K |
x,y,z |
1_555 |
108 |
27 |
5867 |
1094.1 |
-13.2 |
0.201 |
14 |
9 |
0 |
0.170 |
19 |
|
O |
114 |
32 |
5887 |
◊ |
N |
x,y,z |
1_555 |
105 |
27 |
5880 |
1091.1 |
-13.1 |
0.208 |
14 |
9 |
0 |
0.170 |
20 |
|
T |
113 |
33 |
5874 |
◊ |
S |
x,y,z |
1_555 |
105 |
27 |
5890 |
1091.1 |
-13.0 |
0.210 |
14 |
9 |
0 |
0.170 |
21 |
|
M |
113 |
32 |
5873 |
◊ |
L |
x,y,z |
1_555 |
104 |
27 |
5892 |
1088.1 |
-13.0 |
0.203 |
13 |
9 |
0 |
0.170 |
22 |
|
S |
111 |
32 |
5890 |
◊ |
R |
x,y,z |
1_555 |
106 |
27 |
5977 |
1085.2 |
-13.0 |
0.206 |
14 |
9 |
0 |
0.170 |
23 |
|
N |
112 |
32 |
5880 |
◊ |
M |
x,y,z |
1_555 |
103 |
27 |
5873 |
1084.6 |
-13.1 |
0.199 |
14 |
8 |
0 |
0.170 |
24 |
|
R |
110 |
32 |
5977 |
◊ |
Q |
x,y,z |
1_555 |
113 |
29 |
5846 |
1080.1 |
-12.7 |
0.191 |
13 |
8 |
0 |
0.170 |
25 |
|
O |
102 |
27 |
5887 |
◊ |
K |
x,y,z |
1_555 |
114 |
32 |
5867 |
1074.7 |
-13.0 |
0.211 |
13 |
9 |
0 |
0.170 |
| Average: |
1088.2 |
-13.0 |
0.203 |
14 |
9 |
0 |
0.170 |
| 4 |
26 |
|
T |
43 |
12 |
5874 |
◊ |
Q |
-x,y-1/2,-z+1 |
2_546 |
38 |
12 |
5846 |
363.3 |
2.6 |
0.867 |
5 |
0 |
0 |
0.000 |
| 5 |
27 |
|
C |
48 |
12 |
10936 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
35 |
9 |
10961 |
362.1 |
-5.4 |
0.283 |
1 |
0 |
0 |
0.000 |
| 6 |
28 |
|
J |
35 |
9 |
10964 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
30 |
9 |
10961 |
282.4 |
-4.6 |
0.275 |
0 |
0 |
0 |
0.000 |
| 7 |
29 |
|
R |
22 |
8 |
5977 |
◊ |
G |
x,y,z |
1_555 |
28 |
10 |
10965 |
256.2 |
-2.7 |
0.414 |
1 |
0 |
0 |
0.025 |
30 |
|
Q |
18 |
7 |
5846 |
◊ |
F |
x,y,z |
1_555 |
25 |
10 |
10961 |
223.3 |
-3.3 |
0.302 |
0 |
0 |
0 |
0.025 |
31 |
|
T |
18 |
7 |
5874 |
◊ |
I |
x,y,z |
1_555 |
25 |
10 |
10968 |
219.2 |
-3.4 |
0.293 |
0 |
0 |
0 |
0.025 |
32 |
|
O |
18 |
7 |
5887 |
◊ |
D |
x,y,z |
1_555 |
26 |
10 |
10961 |
219.1 |
-3.4 |
0.297 |
0 |
0 |
0 |
0.025 |
33 |
|
P |
18 |
7 |
5872 |
◊ |
J |
x,y,z |
1_555 |
28 |
10 |
10964 |
218.7 |
-3.2 |
0.321 |
0 |
0 |
0 |
0.025 |
34 |
|
M |
18 |
7 |
5873 |
◊ |
B |
x,y,z |
1_555 |
27 |
11 |
11011 |
218.7 |
-3.3 |
0.308 |
1 |
0 |
0 |
0.025 |
35 |
|
S |
18 |
7 |
5890 |
◊ |
H |
x,y,z |
1_555 |
26 |
10 |
11001 |
218.7 |
-3.2 |
0.322 |
0 |
0 |
0 |
0.025 |
36 |
|
N |
19 |
7 |
5880 |
◊ |
C |
x,y,z |
1_555 |
25 |
10 |
10936 |
215.2 |
-3.2 |
0.321 |
0 |
0 |
0 |
0.025 |
37 |
|
L |
19 |
7 |
5892 |
◊ |
A |
x,y,z |
1_555 |
24 |
10 |
10970 |
214.7 |
-3.2 |
0.320 |
0 |
0 |
0 |
0.025 |
38 |
|
K |
18 |
7 |
5867 |
◊ |
E |
x,y,z |
1_555 |
21 |
8 |
10961 |
211.1 |
-3.1 |
0.299 |
1 |
0 |
0 |
0.025 |
| Average: |
221.5 |
-3.2 |
0.320 |
0 |
0 |
0 |
0.025 |
| 8 |
39 |
|
T |
28 |
6 |
5874 |
◊ |
G |
-x,y-1/2,-z+1 |
2_546 |
26 |
7 |
10965 |
235.5 |
0.7 |
0.775 |
0 |
2 |
0 |
0.000 |
| 9 |
40 |
|
M |
26 |
10 |
5873 |
◊ |
O |
-x+1,y-1/2,-z |
2_645 |
22 |
9 |
5887 |
221.5 |
2.7 |
0.882 |
5 |
0 |
0 |
0.000 |
| 10 |
41 |
|
T |
17 |
5 |
5874 |
◊ |
J |
x,y,z |
1_555 |
19 |
5 |
10964 |
184.7 |
-2.0 |
0.412 |
2 |
3 |
0 |
0.024 |
42 |
|
R |
17 |
5 |
5977 |
◊ |
H |
x,y,z |
1_555 |
20 |
5 |
11001 |
184.5 |
-2.0 |
0.429 |
2 |
3 |
0 |
0.024 |
43 |
|
O |
18 |
5 |
5887 |
◊ |
E |
x,y,z |
1_555 |
18 |
5 |
10961 |
184.3 |
-2.1 |
0.400 |
2 |
2 |
0 |
0.024 |
44 |
|
L |
19 |
5 |
5892 |
◊ |
B |
x,y,z |
1_555 |
20 |
5 |
11011 |
183.5 |
-2.1 |
0.419 |
2 |
2 |
0 |
0.024 |
45 |
|
N |
18 |
5 |
5880 |
◊ |
D |
x,y,z |
1_555 |
21 |
5 |
10961 |
183.3 |
-2.0 |
0.448 |
2 |
2 |
0 |
0.024 |
46 |
|
S |
16 |
4 |
5890 |
◊ |
I |
x,y,z |
1_555 |
19 |
5 |
10968 |
183.2 |
-2.1 |
0.404 |
2 |
2 |
0 |
0.024 |
47 |
|
P |
16 |
4 |
5872 |
◊ |
F |
x,y,z |
1_555 |
19 |
5 |
10961 |
182.6 |
-2.0 |
0.412 |
3 |
3 |
0 |
0.024 |
48 |
|
K |
19 |
5 |
5867 |
◊ |
A |
x,y,z |
1_555 |
18 |
5 |
10970 |
182.6 |
-2.3 |
0.384 |
2 |
1 |
0 |
0.024 |
49 |
|
M |
17 |
4 |
5873 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
10936 |
178.6 |
-2.1 |
0.413 |
2 |
2 |
0 |
0.024 |
50 |
|
Q |
15 |
4 |
5846 |
◊ |
G |
x,y,z |
1_555 |
19 |
5 |
10965 |
173.6 |
-1.9 |
0.422 |
1 |
3 |
0 |
0.024 |
| Average: |
182.1 |
-2.1 |
0.414 |
2 |
2 |
0 |
0.024 |
| 11 |
51 |
|
J |
18 |
7 |
10964 |
◊ |
B |
x,y,z |
1_555 |
18 |
8 |
11011 |
167.9 |
-0.2 |
0.678 |
0 |
0 |
0 |
0.000 |
52 |
|
H |
12 |
7 |
11001 |
◊ |
D |
x,y,z |
1_555 |
13 |
7 |
10961 |
121.6 |
0.4 |
0.732 |
0 |
0 |
0 |
0.000 |
53 |
|
G |
12 |
6 |
10965 |
◊ |
E |
x,y,z |
1_555 |
11 |
6 |
10961 |
110.7 |
0.4 |
0.731 |
0 |
0 |
0 |
0.000 |
54 |
|
F |
13 |
6 |
10961 |
◊ |
A |
x,y,z |
1_555 |
12 |
7 |
10970 |
109.8 |
0.3 |
0.732 |
0 |
0 |
0 |
0.000 |
55 |
|
I |
9 |
5 |
10968 |
◊ |
C |
x,y,z |
1_555 |
12 |
6 |
10936 |
103.9 |
0.5 |
0.750 |
0 |
0 |
0 |
0.000 |
| Average: |
122.8 |
0.3 |
0.725 |
0 |
0 |
0 |
0.000 |
| 12 |
56 |
|
N |
16 |
5 |
5880 |
◊ |
K |
-x+1,y-1/2,-z |
2_645 |
22 |
7 |
5867 |
160.8 |
1.9 |
0.832 |
1 |
1 |
0 |
0.000 |
| 13 |
57 |
|
M |
21 |
5 |
5873 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
20 |
5 |
10961 |
159.0 |
-0.3 |
0.672 |
0 |
1 |
0 |
0.000 |
| 14 |
58 |
|
G |
15 |
4 |
10965 |
◊ |
C |
x,y,z |
1_555 |
15 |
4 |
10936 |
150.8 |
-0.4 |
0.644 |
2 |
0 |
0 |
0.020 |
59 |
|
F |
16 |
4 |
10961 |
◊ |
D |
x,y,z |
1_555 |
15 |
4 |
10961 |
148.6 |
-0.4 |
0.643 |
2 |
0 |
0 |
0.020 |
60 |
|
I |
15 |
4 |
10968 |
◊ |
A |
x,y,z |
1_555 |
16 |
5 |
10970 |
146.5 |
-0.5 |
0.635 |
2 |
0 |
0 |
0.020 |
61 |
|
J |
15 |
4 |
10964 |
◊ |
E |
x,y,z |
1_555 |
15 |
4 |
10961 |
142.9 |
-0.4 |
0.639 |
2 |
0 |
0 |
0.020 |
62 |
|
H |
15 |
4 |
11001 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
11011 |
139.8 |
-0.5 |
0.615 |
2 |
0 |
0 |
0.020 |
| Average: |
145.7 |
-0.4 |
0.635 |
2 |
0 |
0 |
0.020 |
| 15 |
63 |
|
[K]R:2001 |
1 |
1 |
216 |
f |
R |
x,y,z |
1_555 |
15 |
7 |
5977 |
121.7 |
-100.5 |
0.000 |
0 |
0 |
0 |
0.830 |
64 |
|
[K]L:2007 |
1 |
1 |
216 |
f |
L |
x,y,z |
1_555 |
15 |
7 |
5892 |
121.5 |
-99.7 |
0.000 |
0 |
0 |
0 |
0.830 |
65 |
|
[K]P:2004 |
1 |
1 |
216 |
f |
P |
x,y,z |
1_555 |
16 |
7 |
5872 |
121.5 |
-99.8 |
0.000 |
0 |
0 |
0 |
0.830 |
66 |
|
[K]T:2003 |
1 |
1 |
216 |
f |
T |
x,y,z |
1_555 |
14 |
7 |
5874 |
121.4 |
-100.3 |
0.000 |
0 |
0 |
0 |
0.830 |
67 |
|
[K]M:2008 |
1 |
1 |
216 |
f |
M |
x,y,z |
1_555 |
15 |
7 |
5873 |
121.4 |
-99.4 |
0.000 |
0 |
0 |
0 |
0.830 |
68 |
|
[K]O:2010 |
1 |
1 |
216 |
f |
O |
x,y,z |
1_555 |
14 |
7 |
5887 |
121.0 |
-100.2 |
0.000 |
0 |
0 |
0 |
0.830 |
69 |
|
[K]S:2002 |
1 |
1 |
216 |
f |
S |
x,y,z |
1_555 |
14 |
7 |
5890 |
121.0 |
-99.6 |
0.000 |
0 |
0 |
0 |
0.830 |
70 |
|
[K]K:2006 |
1 |
1 |
216 |
f |
K |
x,y,z |
1_555 |
14 |
7 |
5867 |
120.8 |
-100.3 |
0.000 |
0 |
0 |
0 |
0.830 |
71 |
|
[K]Q:2005 |
1 |
1 |
216 |
f |
Q |
x,y,z |
1_555 |
13 |
7 |
5846 |
120.4 |
-100.5 |
0.000 |
0 |
0 |
0 |
0.830 |
72 |
|
[K]N:2009 |
1 |
1 |
216 |
f |
N |
x,y,z |
1_555 |
15 |
7 |
5880 |
120.2 |
-99.4 |
0.000 |
0 |
0 |
0 |
0.830 |
| Average: |
121.1 |
-100.0 |
0.000 |
0 |
0 |
0 |
0.830 |
| 16 |
73 |
|
M |
9 |
4 |
5873 |
◊ |
K |
-x+1,y-1/2,-z |
2_645 |
10 |
4 |
5867 |
67.6 |
0.2 |
0.695 |
0 |
0 |
0 |
0.000 |
| 17 |
74 |
|
C |
8 |
2 |
10936 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
6 |
3 |
10965 |
57.8 |
-0.4 |
0.508 |
1 |
0 |
0 |
0.000 |
| 18 |
75 |
|
C |
10 |
3 |
10936 |
◊ |
O |
-x+1,y-1/2,-z |
2_645 |
7 |
3 |
5887 |
53.1 |
-1.9 |
0.220 |
0 |
0 |
0 |
0.000 |
| 19 |
76 |
|
P |
7 |
3 |
5872 |
◊ |
R |
-x,y-1/2,-z+1 |
2_546 |
9 |
4 |
5977 |
51.7 |
0.6 |
0.744 |
0 |
0 |
0 |
0.000 |
| 20 |
77 |
|
T |
5 |
3 |
5874 |
◊ |
R |
-x,y-1/2,-z+1 |
2_546 |
8 |
3 |
5977 |
49.7 |
0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
| 21 |
78 |
|
C |
6 |
3 |
10936 |
◊ |
K |
-x+1,y-1/2,-z |
2_645 |
5 |
4 |
5867 |
39.1 |
0.5 |
0.729 |
1 |
0 |
0 |
0.000 |
| 22 |
79 |
|
H |
4 |
3 |
11001 |
◊ |
D |
-x+1,y-1/2,-z+1 |
2_646 |
5 |
2 |
10961 |
23.3 |
-0.0 |
0.584 |
0 |
0 |
0 |
0.000 |
| 23 |
80 |
|
J |
3 |
2 |
10964 |
◊ |
Q |
-x,y-1/2,-z+1 |
2_546 |
2 |
1 |
5846 |
14.7 |
-0.6 |
0.263 |
0 |
0 |
0 |
0.000 |
| 24 |
81 |
|
J |
2 |
1 |
10964 |
◊ |
R |
-x,y-1/2,-z+1 |
2_546 |
3 |
1 |
5977 |
13.9 |
0.2 |
0.729 |
0 |
0 |
0 |
0.000 |
| 25 |
82 |
|
[K]Q:2005 |
1 |
1 |
216 |
◊ |
R |
x,y,z |
1_555 |
2 |
1 |
5977 |
13.2 |
-6.9 |
0.000 |
0 |
0 |
0 |
0.012 |
83 |
|
[K]P:2004 |
1 |
1 |
216 |
◊ |
Q |
x,y,z |
1_555 |
1 |
1 |
5846 |
0.5 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.012 |
84 |
|
[K]T:2003 |
1 |
1 |
216 |
◊ |
P |
x,y,z |
1_555 |
1 |
1 |
5872 |
0.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.012 |
| Average: |
4.7 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.012 |
| 26 |
85 |
|
J |
4 |
2 |
10964 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
10970 |
11.2 |
0.1 |
0.691 |
0 |
0 |
0 |
0.000 |
| 27 |
86 |
|
B |
1 |
1 |
11011 |
◊ |
F |
-x,y-1/2,-z |
2_545 |
1 |
1 |
10961 |
3.6 |
0.1 |
0.797 |
0 |
0 |
0 |
0.000 |
| 28 |
87 |
|
B |
1 |
1 |
11011 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
1 |
1 |
10970 |
2.1 |
0.1 |
0.768 |
0 |
0 |
0 |
0.000 |
| 29 |
88 |
|
O |
1 |
1 |
5887 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
10970 |
0.7 |
-0.0 |
0.643 |
0 |
0 |
0 |
0.000 |
|