## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
B |
930 |
236 |
54141 |
◊ |
A |
x,y,z |
1_555 |
972 |
260 |
72344 |
9481.3 |
-101.1 |
0.004 |
107 |
24 |
0 |
0.554 |
2 |
|
E |
221 |
51 |
13665 |
◊ |
A |
x,y,z |
1_555 |
225 |
69 |
72344 |
2090.2 |
-17.6 |
0.248 |
27 |
11 |
0 |
0.271 |
3 |
|
K |
198 |
48 |
8902 |
◊ |
C |
x,y,z |
1_555 |
207 |
54 |
16992 |
2047.6 |
-32.6 |
0.052 |
12 |
3 |
0 |
1.000 |
4 |
|
F |
195 |
47 |
5974 |
◊ |
A |
x,y,z |
1_555 |
209 |
52 |
72344 |
1876.1 |
-27.1 |
0.087 |
7 |
1 |
0 |
0.263 |
5 |
|
C |
182 |
42 |
16992 |
◊ |
B |
x,y,z |
1_555 |
191 |
49 |
54141 |
1694.6 |
-7.6 |
0.502 |
22 |
9 |
0 |
0.202 |
6 |
|
J |
148 |
33 |
5014 |
◊ |
B |
x,y,z |
1_555 |
196 |
57 |
54141 |
1605.4 |
-21.7 |
0.112 |
8 |
2 |
0 |
0.836 |
7 |
|
H |
174 |
43 |
9162 |
◊ |
A |
x,y,z |
1_555 |
160 |
44 |
72344 |
1558.9 |
-20.0 |
0.088 |
13 |
0 |
0 |
0.223 |
8 |
|
I |
160 |
40 |
9475 |
◊ |
A |
x,y,z |
1_555 |
169 |
41 |
72344 |
1542.7 |
-14.8 |
0.189 |
18 |
8 |
0 |
0.208 |
9 |
|
I |
159 |
41 |
9475 |
◊ |
B |
x,y,z |
1_555 |
148 |
38 |
54141 |
1415.8 |
-14.2 |
0.201 |
9 |
4 |
0 |
0.203 |
10 |
|
J |
110 |
30 |
5014 |
◊ |
C |
x,y,z |
1_555 |
122 |
39 |
16992 |
1115.8 |
-5.0 |
0.646 |
15 |
5 |
0 |
0.134 |
11 |
|
K |
102 |
29 |
8902 |
◊ |
A |
x,y,z |
1_555 |
120 |
32 |
72344 |
984.7 |
-11.2 |
0.317 |
11 |
3 |
0 |
0.891 |
12 |
|
L |
103 |
25 |
4595 |
◊ |
B |
x,y,z |
1_555 |
122 |
38 |
54141 |
955.6 |
-1.7 |
0.697 |
13 |
6 |
0 |
0.091 |
13 |
|
T |
81 |
11 |
6389 |
◊ |
B |
x,y,z |
1_555 |
93 |
32 |
54141 |
738.6 |
-15.0 |
0.346 |
9 |
0 |
0 |
0.250 |
14 |
|
N |
84 |
15 |
3617 |
◊ |
T |
x,y,z |
1_555 |
82 |
17 |
6389 |
725.9 |
-11.5 |
0.740 |
31 |
0 |
0 |
0.993 |
15 |
|
T |
77 |
9 |
6389 |
◊ |
A |
x,y,z |
1_555 |
77 |
25 |
72344 |
604.4 |
-3.1 |
0.762 |
6 |
0 |
0 |
0.048 |
16 |
|
R |
65 |
10 |
2456 |
◊ |
B |
x,y,z |
1_555 |
77 |
26 |
54141 |
568.3 |
-5.8 |
0.633 |
6 |
0 |
0 |
0.070 |
17 |
|
L |
43 |
8 |
4595 |
◊ |
C |
x,y,z |
1_555 |
70 |
19 |
16992 |
528.3 |
-0.5 |
0.640 |
5 |
4 |
0 |
0.035 |
18 |
|
R |
49 |
10 |
2456 |
◊ |
T |
x,y,z |
1_555 |
51 |
10 |
6389 |
442.1 |
-3.1 |
0.677 |
20 |
0 |
0 |
0.101 |
19 |
|
A |
48 |
14 |
72344 |
◊ |
I |
-x+5/2,y-1/2,-z+1 |
4_746 |
43 |
13 |
9475 |
433.6 |
-0.9 |
0.601 |
5 |
0 |
0 |
0.000 |
20 |
|
K |
44 |
14 |
8902 |
◊ |
B |
x,y,z |
1_555 |
56 |
17 |
54141 |
416.3 |
1.1 |
0.793 |
2 |
3 |
0 |
0.002 |
21 |
|
C |
46 |
10 |
16992 |
◊ |
A |
x,y,z |
1_555 |
43 |
14 |
72344 |
375.2 |
-3.4 |
0.443 |
2 |
0 |
0 |
0.015 |
22 |
|
C |
39 |
11 |
16992 |
◊ |
A |
-x+2,y,-z |
2_755 |
36 |
9 |
72344 |
342.3 |
-1.4 |
0.580 |
3 |
1 |
0 |
0.000 |
23 |
|
N |
42 |
7 |
3617 |
◊ |
A |
x,y,z |
1_555 |
35 |
15 |
72344 |
300.3 |
-3.2 |
0.721 |
3 |
0 |
0 |
0.038 |
24 |
|
R |
40 |
6 |
2456 |
◊ |
A |
x,y,z |
1_555 |
36 |
14 |
72344 |
273.3 |
-0.8 |
0.839 |
1 |
0 |
0 |
0.010 |
25 |
|
I |
27 |
9 |
9475 |
◊ |
B |
-x+2,y,-z+1 |
2_756 |
35 |
11 |
54141 |
269.9 |
-2.2 |
0.449 |
2 |
0 |
0 |
0.000 |
26 |
|
L |
26 |
7 |
4595 |
◊ |
B |
-x+2,y,-z |
2_755 |
31 |
11 |
54141 |
210.5 |
-1.2 |
0.514 |
0 |
0 |
0 |
0.000 |
27 |
|
[WC7]T:18 |
20 |
1 |
482 |
◊ |
A |
x,y,z |
1_555 |
30 |
10 |
72344 |
201.1 |
-2.8 |
0.450 |
1 |
0 |
0 |
0.027 |
28 |
|
[WC7]T:18 |
17 |
1 |
482 |
cf |
T |
x,y,z |
1_555 |
22 |
2 |
6389 |
179.6 |
-0.2 |
0.616 |
0 |
0 |
0 |
0.100 |
29 |
|
I |
23 |
5 |
9475 |
◊ |
I |
-x+2,y,-z+1 |
2_756 |
24 |
5 |
9475 |
168.4 |
-0.3 |
0.603 |
0 |
0 |
0 |
0.000 |
30 |
|
[WC4]R:11 |
14 |
1 |
513 |
◊ |
A |
x,y,z |
1_555 |
23 |
10 |
72344 |
167.6 |
-2.1 |
0.613 |
0 |
0 |
0 |
0.018 |
31 |
|
H |
18 |
5 |
9162 |
◊ |
C |
x,y,z |
1_555 |
19 |
5 |
16992 |
161.0 |
-2.1 |
0.322 |
0 |
0 |
0 |
0.006 |
32 |
|
L |
19 |
5 |
4595 |
◊ |
L |
-x+2,y,-z |
2_755 |
19 |
5 |
4595 |
152.2 |
-3.5 |
0.267 |
0 |
0 |
0 |
0.000 |
33 |
|
E |
19 |
8 |
13665 |
◊ |
E |
-x+3,y,-z+1 |
2_856 |
19 |
8 |
13665 |
144.2 |
-1.4 |
0.459 |
0 |
0 |
0 |
0.000 |
34 |
|
[WC4]R:11 |
12 |
1 |
513 |
◊ |
B |
x,y,z |
1_555 |
19 |
7 |
54141 |
138.2 |
0.3 |
0.732 |
3 |
0 |
0 |
0.009 |
35 |
|
N |
17 |
3 |
3617 |
◊ |
E |
x,y,z |
1_555 |
13 |
8 |
13665 |
130.0 |
-4.4 |
0.247 |
4 |
0 |
0 |
0.051 |
36 |
|
K |
15 |
5 |
8902 |
◊ |
H |
x,y,z |
1_555 |
14 |
5 |
9162 |
121.7 |
0.4 |
0.725 |
2 |
0 |
0 |
0.001 |
37 |
|
F |
13 |
5 |
5974 |
◊ |
E |
x,y,z |
1_555 |
7 |
3 |
13665 |
91.7 |
-0.9 |
0.516 |
2 |
1 |
0 |
0.017 |
38 |
|
C |
16 |
7 |
16992 |
◊ |
B |
-x+2,y,-z |
2_755 |
12 |
5 |
54141 |
88.2 |
-0.8 |
0.519 |
1 |
0 |
0 |
0.000 |
39 |
|
N |
13 |
1 |
3617 |
◊ |
T |
-x+3,y,-z+1 |
2_856 |
9 |
1 |
6389 |
83.9 |
2.5 |
0.856 |
0 |
0 |
0 |
0.000 |
40 |
|
[WC4]R:11 |
12 |
1 |
513 |
cf |
R |
x,y,z |
1_555 |
8 |
1 |
2456 |
69.4 |
-0.4 |
0.704 |
0 |
0 |
0 |
0.005 |
41 |
|
N |
8 |
1 |
3617 |
◊ |
N |
-x+3,y,-z+1 |
2_856 |
8 |
1 |
3617 |
63.4 |
-3.3 |
0.392 |
0 |
0 |
0 |
0.000 |
42 |
|
F |
12 |
3 |
5974 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
54141 |
59.2 |
0.1 |
0.707 |
1 |
0 |
0 |
0.001 |
43 |
|
T |
11 |
2 |
6389 |
◊ |
T |
-x+3,y,-z+1 |
2_856 |
11 |
2 |
6389 |
58.8 |
-0.5 |
0.604 |
0 |
0 |
0 |
0.000 |
44 |
|
L |
8 |
3 |
4595 |
◊ |
J |
x,y,z |
1_555 |
7 |
2 |
5014 |
50.3 |
-0.4 |
0.557 |
0 |
0 |
0 |
0.004 |
45 |
|
[WC7]T:18 |
5 |
1 |
482 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
54141 |
37.2 |
-0.9 |
0.207 |
0 |
0 |
0 |
0.012 |
46 |
|
[WC7]T:18 |
5 |
1 |
482 |
◊ |
R |
x,y,z |
1_555 |
7 |
1 |
2456 |
32.7 |
1.1 |
0.691 |
0 |
0 |
0 |
0.000 |
47 |
|
[WC4]R:11 |
6 |
1 |
513 |
f |
[MG]A:2001 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.8 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.073 |
48 |
|
[MG]A:2001 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
10 |
3 |
72344 |
30.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.037 |
49 |
|
T |
6 |
3 |
6389 |
◊ |
E |
x,y,z |
1_555 |
4 |
2 |
13665 |
28.8 |
0.4 |
0.473 |
0 |
0 |
0 |
0.000 |
50 |
|
[WC7]T:18 |
3 |
1 |
482 |
◊ |
[WC4]R:11 |
x,y,z |
1_555 |
3 |
1 |
513 |
25.8 |
0.4 |
0.596 |
0 |
0 |
0 |
0.000 |
51 |
|
B |
4 |
2 |
54141 |
◊ |
B |
-x+2,y,-z |
2_755 |
5 |
2 |
54141 |
18.8 |
0.5 |
0.792 |
0 |
0 |
0 |
0.000 |
52 |
|
[MG]A:2001 |
1 |
1 |
98 |
f |
R |
x,y,z |
1_555 |
4 |
1 |
2456 |
15.6 |
-1.4 |
0.000 |
0 |
0 |
0 |
0.022 |
53 |
|
L |
2 |
1 |
4595 |
◊ |
K |
x,y,z |
1_555 |
2 |
1 |
8902 |
13.4 |
-0.1 |
0.519 |
0 |
0 |
0 |
0.000 |
54 |
|
[ZN]A:1735 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
54141 |
9.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.128 |
55 |
|
[ZN]B:1307 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
1 |
1 |
72344 |
4.9 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.109 |
56 |
|
H |
1 |
1 |
9162 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
54141 |
3.6 |
-0.1 |
0.376 |
0 |
0 |
0 |
0.000 |
57 |
|
[ZN]J:101 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
54141 |
2.6 |
-1.1 |
0.000 |
0 |
0 |
0 |
0.036 |
58 |
|
[MG]A:2001 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
3 |
2 |
54141 |
2.3 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.002 |
|