## |
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 |
224 |
61 |
19406 |
◊ |
A |
x,y,z |
1_555 |
242 |
70 |
20182 |
2218.8 |
-20.1 |
0.147 |
18 |
5 |
0 |
0.960 |
2 |
|
D |
161 |
40 |
16144 |
◊ |
C |
x,y,z |
1_555 |
164 |
42 |
19614 |
1617.2 |
-23.8 |
0.441 |
10 |
11 |
0 |
0.194 |
3 |
|
I |
114 |
28 |
3910 |
◊ |
B |
x,y,z |
1_555 |
187 |
60 |
19406 |
1408.9 |
-14.0 |
0.370 |
9 |
3 |
0 |
1.000 |
4 |
|
H |
121 |
30 |
5929 |
◊ |
D |
x,y,z |
1_555 |
130 |
38 |
16144 |
1238.8 |
-20.0 |
0.085 |
6 |
3 |
0 |
0.491 |
5 |
|
F |
136 |
34 |
8166 |
◊ |
C |
x,y,z |
1_555 |
122 |
30 |
19614 |
1172.9 |
-18.0 |
0.396 |
4 |
2 |
0 |
0.149 |
6 |
|
C |
114 |
31 |
19614 |
◊ |
C |
-x+1,-y+1,z |
10_554 |
113 |
31 |
19614 |
1123.0 |
-24.1 |
0.322 |
0 |
0 |
0 |
0.095 |
7 |
|
G |
97 |
25 |
8522 |
◊ |
C |
x,y,z |
1_555 |
122 |
30 |
19614 |
1070.7 |
-18.2 |
0.455 |
5 |
8 |
0 |
0.171 |
8 |
|
E |
107 |
30 |
13625 |
◊ |
C |
x,y,z |
1_555 |
111 |
34 |
19614 |
984.6 |
-13.9 |
0.553 |
4 |
0 |
0 |
0.090 |
9 |
|
E |
87 |
22 |
13625 |
◊ |
A |
-x+1,-y+1,z |
10_554 |
119 |
38 |
20182 |
959.1 |
-1.2 |
0.839 |
6 |
4 |
0 |
0.018 |
10 |
|
E |
90 |
31 |
13625 |
◊ |
D |
-x+1,-y+1,z |
10_554 |
80 |
24 |
16144 |
843.8 |
-10.6 |
0.413 |
0 |
2 |
0 |
0.054 |
11 |
|
J |
81 |
19 |
5953 |
◊ |
D |
x,y,z |
1_555 |
94 |
24 |
16144 |
828.8 |
-9.2 |
0.627 |
6 |
4 |
0 |
0.063 |
12 |
|
G |
93 |
20 |
8522 |
◊ |
A |
x,y,z |
1_555 |
99 |
25 |
20182 |
820.9 |
-4.8 |
0.555 |
15 |
4 |
0 |
0.050 |
13 |
|
G |
83 |
20 |
8522 |
◊ |
D |
x,y,z |
1_555 |
83 |
21 |
16144 |
723.8 |
-8.6 |
0.569 |
8 |
0 |
0 |
0.055 |
14 |
|
I |
60 |
16 |
3910 |
◊ |
A |
x,y,z |
1_555 |
85 |
26 |
20182 |
709.9 |
-6.6 |
0.362 |
6 |
2 |
0 |
0.166 |
15 |
|
[8PE]C:1004 |
44 |
1 |
1125 |
f |
C |
x,y,z |
1_555 |
98 |
27 |
19614 |
669.4 |
-13.1 |
0.736 |
2 |
0 |
0 |
0.111 |
16 |
|
B |
69 |
20 |
19406 |
◊ |
B |
-x+1,-y+1,z |
10_554 |
68 |
20 |
19406 |
668.9 |
-0.9 |
0.724 |
4 |
20 |
0 |
0.007 |
17 |
|
K |
64 |
17 |
5185 |
◊ |
J |
x,y,z |
1_555 |
66 |
15 |
5953 |
660.2 |
-13.1 |
0.414 |
1 |
0 |
0 |
0.912 |
18 |
|
J |
70 |
18 |
5953 |
◊ |
E |
-x+1,-y+1,z |
10_554 |
69 |
16 |
13625 |
622.5 |
-12.1 |
0.289 |
0 |
2 |
0 |
0.062 |
19 |
|
[HEM]C:1001 |
43 |
1 |
787 |
f |
C |
x,y,z |
1_555 |
92 |
32 |
19614 |
609.6 |
-23.6 |
0.660 |
2 |
0 |
0 |
0.194 |
20 |
|
B |
64 |
22 |
19406 |
◊ |
B |
x,-y+3/2,-z+1/4 |
6_565 |
64 |
22 |
19406 |
598.7 |
4.8 |
0.954 |
8 |
0 |
0 |
0.000 |
21 |
|
[HEM]C:1002 |
43 |
1 |
809 |
f |
C |
x,y,z |
1_555 |
81 |
29 |
19614 |
595.2 |
-22.0 |
0.720 |
3 |
0 |
0 |
0.185 |
22 |
|
[HEC]D:1001 |
43 |
1 |
841 |
cf |
D |
x,y,z |
1_555 |
70 |
29 |
16144 |
591.0 |
-22.6 |
0.309 |
3 |
0 |
0 |
0.509 |
23 |
|
G |
63 |
13 |
8522 |
◊ |
E |
-x+1,-y+1,z |
10_554 |
72 |
18 |
13625 |
568.7 |
-5.0 |
0.698 |
2 |
3 |
0 |
0.030 |
24 |
|
E |
57 |
16 |
13625 |
◊ |
C |
-x+1,-y+1,z |
10_554 |
55 |
15 |
19614 |
494.8 |
-10.4 |
0.339 |
1 |
1 |
0 |
0.053 |
25 |
|
[AZO]C:1003 |
30 |
1 |
660 |
f |
C |
x,y,z |
1_555 |
66 |
26 |
19614 |
448.7 |
-2.5 |
0.574 |
1 |
0 |
0 |
0.023 |
26 |
|
F |
56 |
13 |
8166 |
◊ |
B |
-x+1,-y+1,z |
10_554 |
47 |
12 |
19406 |
430.8 |
-3.3 |
0.495 |
1 |
3 |
0 |
0.013 |
27 |
|
G |
48 |
13 |
8522 |
◊ |
F |
x,y,z |
1_555 |
43 |
12 |
8166 |
426.7 |
-0.7 |
0.682 |
4 |
3 |
0 |
0.022 |
28 |
|
C |
41 |
14 |
19614 |
◊ |
A |
x,y,z |
1_555 |
45 |
12 |
20182 |
400.5 |
1.8 |
0.945 |
6 |
5 |
0 |
0.006 |
29 |
|
K |
37 |
9 |
5185 |
◊ |
A |
x,y,z |
1_555 |
44 |
14 |
20182 |
387.2 |
-2.3 |
0.686 |
1 |
1 |
0 |
0.012 |
30 |
|
F |
42 |
10 |
8166 |
◊ |
D |
x,y,z |
1_555 |
40 |
10 |
16144 |
376.9 |
-5.6 |
0.292 |
2 |
2 |
0 |
0.028 |
31 |
|
D |
40 |
12 |
16144 |
◊ |
D |
-x+1,-y+1,z |
10_554 |
40 |
12 |
16144 |
315.4 |
-3.9 |
0.554 |
0 |
0 |
0 |
0.012 |
32 |
|
[CDL]D:1002 |
21 |
1 |
1256 |
f |
C |
x,y,z |
1_555 |
34 |
13 |
19614 |
279.4 |
-6.7 |
0.503 |
0 |
0 |
0 |
0.053 |
33 |
|
[CDL]A:502 |
31 |
1 |
1183 |
◊ |
[6PE]A:501 |
x,y,z |
1_555 |
19 |
1 |
708 |
266.9 |
-0.3 |
0.577 |
1 |
0 |
0 |
0.003 |
34 |
|
[CDL]D:1002 |
27 |
1 |
1256 |
◊ |
G |
x,y,z |
1_555 |
29 |
8 |
8522 |
250.4 |
-2.8 |
0.766 |
2 |
0 |
0 |
0.029 |
35 |
|
J |
26 |
5 |
5953 |
◊ |
A |
x,y,z |
1_555 |
32 |
10 |
20182 |
248.6 |
0.3 |
0.680 |
4 |
0 |
0 |
0.006 |
36 |
|
K |
25 |
8 |
5185 |
◊ |
F |
-x+1,-y+1,z |
10_554 |
26 |
5 |
8166 |
241.1 |
-1.3 |
0.715 |
2 |
1 |
0 |
0.011 |
37 |
|
[MC3]J:101 |
19 |
1 |
1220 |
◊ |
J |
x,y,z |
1_555 |
26 |
8 |
5953 |
221.4 |
0.7 |
0.623 |
0 |
0 |
0 |
0.000 |
38 |
|
[MC3]J:101 |
23 |
1 |
1220 |
f |
E |
-x+1,-y+1,z |
10_554 |
20 |
6 |
13625 |
220.7 |
-5.3 |
0.219 |
0 |
0 |
0 |
0.030 |
39 |
|
[CDL]A:502 |
26 |
1 |
1183 |
◊ |
A |
x,y,z |
1_555 |
23 |
7 |
20182 |
220.6 |
-0.2 |
0.505 |
4 |
0 |
0 |
0.007 |
40 |
|
[CDL]D:1002 |
26 |
1 |
1256 |
◊ |
D |
x,y,z |
1_555 |
26 |
6 |
16144 |
215.2 |
-1.3 |
0.845 |
3 |
0 |
0 |
0.017 |
41 |
|
[CDL]G:101 |
19 |
1 |
1174 |
f |
C |
x,y,z |
1_555 |
25 |
10 |
19614 |
207.0 |
-3.1 |
0.735 |
2 |
0 |
0 |
0.032 |
42 |
|
[CDL]G:101 |
19 |
1 |
1174 |
f |
[CDL]D:1002 |
x,y,z |
1_555 |
23 |
1 |
1256 |
200.2 |
-3.6 |
0.864 |
0 |
0 |
0 |
0.029 |
43 |
|
[CDL]A:502 |
20 |
1 |
1183 |
f |
C |
x,y,z |
1_555 |
29 |
10 |
19614 |
199.2 |
-1.7 |
0.919 |
2 |
0 |
0 |
0.020 |
44 |
|
[CDL]G:101 |
24 |
1 |
1174 |
◊ |
G |
x,y,z |
1_555 |
15 |
5 |
8522 |
197.6 |
-2.0 |
0.700 |
2 |
0 |
0 |
0.023 |
45 |
|
H |
22 |
8 |
5929 |
◊ |
G |
x,y,z |
1_555 |
20 |
5 |
8522 |
193.7 |
2.7 |
0.881 |
4 |
7 |
0 |
0.000 |
46 |
|
[6PE]K:101 |
18 |
1 |
646 |
◊ |
C |
-x+1,-y+1,z |
10_554 |
14 |
4 |
19614 |
186.1 |
-0.3 |
0.372 |
1 |
0 |
0 |
0.004 |
47 |
|
[6PE]K:101 |
21 |
1 |
646 |
f |
K |
x,y,z |
1_555 |
26 |
6 |
5185 |
175.8 |
-0.9 |
0.457 |
1 |
0 |
0 |
0.100 |
48 |
|
G |
20 |
6 |
8522 |
◊ |
F |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
17 |
4 |
8166 |
165.1 |
0.6 |
0.785 |
0 |
5 |
0 |
0.000 |
49 |
|
[CDL]G:101 |
16 |
1 |
1174 |
f |
[8PE]C:1004 |
x,y,z |
1_555 |
14 |
1 |
1125 |
149.6 |
-1.9 |
0.791 |
0 |
0 |
0 |
0.015 |
50 |
|
[6PE]A:501 |
14 |
1 |
708 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
20182 |
132.2 |
-0.3 |
0.215 |
2 |
0 |
0 |
0.100 |
51 |
|
[MC3]J:101 |
15 |
1 |
1220 |
◊ |
[6PE]A:501 |
x,y,z |
1_555 |
18 |
1 |
708 |
131.0 |
-0.8 |
0.299 |
0 |
0 |
0 |
0.003 |
52 |
|
[MC3]J:101 |
12 |
1 |
1220 |
◊ |
K |
x,y,z |
1_555 |
16 |
7 |
5185 |
130.5 |
0.4 |
0.648 |
0 |
0 |
0 |
0.000 |
53 |
|
D |
18 |
5 |
16144 |
◊ |
A |
x,y,z |
1_555 |
16 |
6 |
20182 |
130.0 |
0.2 |
0.674 |
1 |
0 |
0 |
0.000 |
54 |
|
[FES]E:1001 |
4 |
1 |
236 |
f |
E |
x,y,z |
1_555 |
15 |
9 |
13625 |
126.3 |
-17.0 |
0.690 |
1 |
0 |
0 |
0.101 |
55 |
|
[8PE]C:1004 |
13 |
1 |
1125 |
◊ |
G |
x,y,z |
1_555 |
15 |
5 |
8522 |
125.1 |
-1.9 |
0.543 |
0 |
0 |
0 |
0.015 |
56 |
|
K |
13 |
3 |
5185 |
◊ |
E |
-x+1,-y+1,z |
10_554 |
13 |
4 |
13625 |
124.5 |
-0.5 |
0.752 |
0 |
2 |
0 |
0.004 |
57 |
|
[MC3]J:101 |
9 |
1 |
1220 |
◊ |
C |
x,y,z |
1_555 |
17 |
6 |
19614 |
122.6 |
-3.9 |
0.351 |
0 |
0 |
0 |
0.019 |
58 |
|
[MC3]J:101 |
12 |
1 |
1220 |
◊ |
A |
x,y,z |
1_555 |
18 |
6 |
20182 |
103.3 |
0.6 |
0.403 |
0 |
0 |
0 |
0.000 |
59 |
|
[6PE]A:501 |
9 |
1 |
708 |
◊ |
C |
x,y,z |
1_555 |
11 |
5 |
19614 |
93.0 |
-0.5 |
0.404 |
1 |
0 |
0 |
0.003 |
60 |
|
[CDL]D:1002 |
8 |
1 |
1256 |
◊ |
F |
x,y,z |
1_555 |
8 |
4 |
8166 |
62.6 |
0.4 |
0.764 |
0 |
0 |
0 |
0.000 |
61 |
|
[CDL]A:502 |
5 |
1 |
1183 |
◊ |
K |
x,y,z |
1_555 |
9 |
3 |
5185 |
62.1 |
-2.0 |
0.447 |
0 |
0 |
0 |
0.006 |
62 |
|
K |
7 |
2 |
5185 |
◊ |
C |
-x+1,-y+1,z |
10_554 |
5 |
1 |
19614 |
58.9 |
-0.6 |
0.706 |
0 |
0 |
0 |
0.003 |
63 |
|
B |
11 |
5 |
19406 |
◊ |
E |
-y+1/2,x,z-1/4 |
11_544 |
5 |
2 |
13625 |
57.5 |
-1.0 |
0.341 |
0 |
0 |
0 |
0.000 |
64 |
|
F |
8 |
2 |
8166 |
◊ |
A |
-x+1,-y+1,z |
10_554 |
6 |
3 |
20182 |
53.0 |
-0.2 |
0.541 |
1 |
0 |
0 |
0.003 |
65 |
|
[MC3]J:101 |
9 |
1 |
1220 |
◊ |
D |
x,y,z |
1_555 |
5 |
3 |
16144 |
50.1 |
-2.0 |
0.348 |
0 |
0 |
0 |
0.010 |
66 |
|
[MC3]J:101 |
7 |
1 |
1220 |
◊ |
[CDL]A:502 |
x,y,z |
1_555 |
5 |
1 |
1183 |
49.5 |
-1.6 |
0.477 |
0 |
0 |
0 |
0.008 |
67 |
|
[CDL]G:101 |
7 |
1 |
1174 |
◊ |
F |
x,y,z |
1_555 |
5 |
1 |
8166 |
48.7 |
0.9 |
0.880 |
0 |
0 |
0 |
0.000 |
68 |
|
F |
4 |
2 |
8166 |
◊ |
C |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
3 |
1 |
19614 |
36.2 |
-0.4 |
0.561 |
0 |
0 |
0 |
0.000 |
69 |
|
H |
3 |
2 |
5929 |
◊ |
F |
-y+1/2,-x+1/2,-z+1/2 |
16_555 |
5 |
2 |
8166 |
30.2 |
1.2 |
0.820 |
0 |
1 |
0 |
0.000 |
70 |
|
[8PE]C:1004 |
3 |
1 |
1125 |
◊ |
F |
x,y,z |
1_555 |
6 |
1 |
8166 |
29.8 |
0.4 |
0.771 |
0 |
0 |
0 |
0.000 |
71 |
|
E |
3 |
1 |
13625 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
16144 |
20.6 |
-0.2 |
0.541 |
0 |
0 |
0 |
0.000 |
72 |
|
[CDL]A:502 |
4 |
1 |
1183 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
5953 |
14.2 |
-0.5 |
0.544 |
0 |
0 |
0 |
0.001 |
73 |
|
[6PE]A:501 |
2 |
1 |
708 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
16144 |
9.9 |
0.5 |
0.642 |
0 |
0 |
0 |
0.000 |
74 |
|
[AZO]C:1003 |
1 |
1 |
660 |
f |
[HEM]C:1001 |
x,y,z |
1_555 |
1 |
1 |
787 |
8.9 |
-0.3 |
0.401 |
0 |
0 |
0 |
0.002 |
75 |
|
[HEM]C:1001 |
1 |
1 |
787 |
◊ |
C |
-x+1,-y+1,z |
10_554 |
3 |
2 |
19614 |
7.0 |
-0.2 |
0.687 |
0 |
0 |
0 |
0.002 |
76 |
|
F |
1 |
1 |
8166 |
◊ |
E |
-x+1,-y+1,z |
10_554 |
1 |
1 |
13625 |
5.0 |
-0.0 |
0.573 |
0 |
0 |
0 |
0.000 |
77 |
|
[FES]E:1001 |
1 |
1 |
236 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
19614 |
1.5 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
78 |
|
[6PE]K:101 |
1 |
1 |
646 |
◊ |
E |
-x+1,-y+1,z |
10_554 |
1 |
1 |
13625 |
1.1 |
-0.1 |
0.433 |
0 |
0 |
0 |
0.000 |
79 |
|
F |
1 |
1 |
8166 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
20182 |
0.2 |
0.0 |
0.672 |
0 |
0 |
0 |
0.000 |
|