## |
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 |
|
A |
363 |
75 |
213327 |
◊ |
L |
x,y,z |
1_555 |
296 |
76 |
9539 |
3120.2 |
-62.3 |
0.733 |
66 |
0 |
0 |
0.078 |
2 |
|
A |
363 |
61 |
213327 |
◊ |
D |
x,y,z |
1_555 |
295 |
78 |
12164 |
3018.8 |
-53.3 |
0.782 |
76 |
0 |
0 |
0.078 |
3 |
|
A |
337 |
60 |
213327 |
◊ |
I |
x,y,z |
1_555 |
260 |
61 |
8486 |
2819.3 |
-56.0 |
0.746 |
53 |
0 |
0 |
0.073 |
4 |
|
A |
331 |
60 |
213327 |
◊ |
Q |
x,y,z |
1_555 |
251 |
58 |
7872 |
2658.0 |
-45.9 |
0.723 |
51 |
0 |
0 |
0.067 |
5 |
|
A |
305 |
61 |
213327 |
◊ |
T |
x,y,z |
1_555 |
252 |
63 |
7151 |
2535.4 |
-50.6 |
0.680 |
49 |
0 |
0 |
0.069 |
6 |
|
A |
293 |
54 |
213327 |
◊ |
P |
x,y,z |
1_555 |
241 |
56 |
5651 |
2509.4 |
-43.5 |
0.594 |
45 |
0 |
0 |
0.062 |
7 |
|
A |
236 |
39 |
213327 |
◊ |
E |
x,y,z |
1_555 |
182 |
54 |
8463 |
1951.1 |
-35.0 |
0.731 |
40 |
0 |
0 |
0.053 |
8 |
|
A |
210 |
37 |
213327 |
◊ |
M |
x,y,z |
1_555 |
194 |
50 |
8459 |
1935.0 |
-45.3 |
0.478 |
44 |
0 |
0 |
0.063 |
9 |
|
A |
228 |
39 |
213327 |
◊ |
G |
x,y,z |
1_555 |
171 |
45 |
10369 |
1887.7 |
-21.7 |
0.902 |
41 |
0 |
0 |
0.046 |
10 |
|
A |
237 |
43 |
213327 |
◊ |
J |
x,y,z |
1_555 |
172 |
44 |
7723 |
1864.8 |
-29.7 |
0.856 |
24 |
0 |
0 |
0.047 |
11 |
|
A |
259 |
45 |
213327 |
◊ |
N |
x,y,z |
1_555 |
165 |
36 |
5741 |
1859.5 |
-33.9 |
0.829 |
39 |
0 |
0 |
0.059 |
12 |
|
A |
233 |
44 |
213327 |
◊ |
H |
x,y,z |
1_555 |
189 |
51 |
8295 |
1839.4 |
-30.5 |
0.412 |
31 |
0 |
0 |
0.050 |
13 |
|
A |
219 |
40 |
213327 |
◊ |
K |
x,y,z |
1_555 |
170 |
43 |
7224 |
1816.6 |
-30.3 |
0.783 |
35 |
0 |
0 |
0.051 |
14 |
|
A |
203 |
41 |
213327 |
◊ |
O |
x,y,z |
1_555 |
178 |
42 |
6465 |
1766.0 |
-31.8 |
0.759 |
39 |
0 |
0 |
0.053 |
15 |
|
A |
200 |
37 |
213327 |
◊ |
C |
x,y,z |
1_555 |
154 |
40 |
12177 |
1697.4 |
-31.0 |
0.634 |
27 |
0 |
0 |
0.049 |
16 |
|
A |
197 |
38 |
213327 |
◊ |
S |
x,y,z |
1_555 |
155 |
28 |
6064 |
1585.6 |
-21.0 |
0.832 |
28 |
0 |
0 |
0.039 |
17 |
|
A |
156 |
35 |
213327 |
◊ |
U |
x,y,z |
1_555 |
118 |
23 |
2496 |
1299.0 |
-25.6 |
0.467 |
30 |
0 |
0 |
0.045 |
18 |
|
A |
148 |
27 |
213327 |
x |
A |
-y+1/2,x-1/2,z+1/4 |
2_545 |
155 |
27 |
213327 |
1127.2 |
-28.6 |
0.951 |
10 |
0 |
0 |
0.000 |
19 |
|
R |
114 |
26 |
5628 |
◊ |
F |
x,y,z |
1_555 |
102 |
25 |
6977 |
1028.0 |
-6.8 |
0.184 |
15 |
3 |
0 |
0.016 |
20 |
|
A |
110 |
23 |
213327 |
◊ |
B |
x,y,z |
1_555 |
88 |
29 |
12669 |
937.5 |
-14.7 |
0.766 |
20 |
0 |
0 |
0.027 |
21 |
|
A |
104 |
21 |
213327 |
◊ |
R |
x,y,z |
1_555 |
80 |
19 |
5628 |
898.8 |
-19.2 |
0.609 |
18 |
0 |
0 |
0.032 |
22 |
|
N |
85 |
20 |
5741 |
◊ |
C |
x,y,z |
1_555 |
106 |
26 |
12177 |
859.3 |
-8.5 |
0.206 |
5 |
0 |
0 |
0.012 |
23 |
|
N |
83 |
17 |
5741 |
◊ |
J |
x,y,z |
1_555 |
92 |
20 |
7723 |
775.0 |
-8.6 |
0.239 |
11 |
5 |
0 |
0.017 |
24 |
|
H |
65 |
20 |
8295 |
◊ |
E |
x,y,z |
1_555 |
63 |
17 |
8463 |
604.5 |
-2.5 |
0.384 |
5 |
4 |
0 |
0.005 |
25 |
|
A |
63 |
12 |
213327 |
◊ |
F |
x,y,z |
1_555 |
62 |
18 |
6977 |
530.4 |
-7.7 |
0.711 |
14 |
0 |
0 |
0.016 |
26 |
|
B |
45 |
13 |
12669 |
◊ |
B |
y,x,-z |
6_555 |
45 |
13 |
12669 |
443.0 |
8.0 |
0.950 |
14 |
8 |
0 |
0.000 |
27 |
|
E |
42 |
14 |
8463 |
◊ |
D |
x,y,z |
1_555 |
36 |
11 |
12164 |
378.8 |
1.2 |
0.505 |
4 |
2 |
0 |
0.000 |
28 |
|
S |
44 |
11 |
6064 |
◊ |
M |
x,y,z |
1_555 |
34 |
11 |
8459 |
375.1 |
-4.2 |
0.320 |
2 |
0 |
0 |
0.000 |
29 |
|
J |
44 |
14 |
7723 |
◊ |
C |
x,y,z |
1_555 |
44 |
11 |
12177 |
370.6 |
-4.7 |
0.218 |
2 |
0 |
0 |
0.006 |
30 |
|
[4OC]A:1402 |
22 |
1 |
491 |
cf |
A |
x,y,z |
1_555 |
55 |
11 |
213327 |
349.0 |
2.5 |
0.813 |
3 |
0 |
0 |
0.000 |
31 |
|
[LLL]A:1743 |
26 |
1 |
635 |
f |
A |
x,y,z |
1_555 |
51 |
11 |
213327 |
348.8 |
-9.0 |
0.782 |
5 |
0 |
0 |
0.013 |
32 |
|
R |
32 |
8 |
5628 |
◊ |
K |
x,y,z |
1_555 |
39 |
13 |
7224 |
327.0 |
0.1 |
0.626 |
5 |
2 |
0 |
0.003 |
33 |
|
A |
39 |
8 |
213327 |
◊ |
M |
-y+1/2,x-1/2,z+1/4 |
2_545 |
35 |
12 |
8459 |
321.4 |
-5.4 |
0.514 |
3 |
0 |
0 |
0.000 |
34 |
|
[UR3]A:1498 |
20 |
1 |
451 |
cf |
A |
x,y,z |
1_555 |
49 |
11 |
213327 |
316.7 |
-2.4 |
0.757 |
4 |
0 |
0 |
0.005 |
35 |
|
[MA6]A:1518 |
24 |
1 |
512 |
cf |
A |
x,y,z |
1_555 |
50 |
8 |
213327 |
305.7 |
2.9 |
0.662 |
1 |
0 |
0 |
0.000 |
36 |
|
H |
42 |
13 |
8295 |
◊ |
D |
y,x,-z |
6_555 |
29 |
12 |
12164 |
303.3 |
3.4 |
0.585 |
3 |
2 |
0 |
0.000 |
37 |
|
[2MG]A:1207 |
24 |
1 |
512 |
cf |
A |
x,y,z |
1_555 |
48 |
5 |
213327 |
302.1 |
4.0 |
0.926 |
3 |
0 |
0 |
0.000 |
38 |
|
[MA6]A:1519 |
24 |
1 |
514 |
cf |
A |
x,y,z |
1_555 |
52 |
8 |
213327 |
300.5 |
2.4 |
0.637 |
2 |
0 |
0 |
0.000 |
39 |
|
[7MG]A:527 |
24 |
1 |
514 |
cf |
A |
x,y,z |
1_555 |
45 |
8 |
213327 |
285.9 |
3.1 |
0.871 |
5 |
0 |
0 |
0.000 |
40 |
|
E |
30 |
13 |
8463 |
◊ |
E |
y,x,-z |
6_555 |
31 |
14 |
8463 |
274.4 |
6.1 |
0.931 |
6 |
0 |
0 |
0.000 |
41 |
|
[5MC]A:1404 |
21 |
1 |
447 |
cf |
A |
x,y,z |
1_555 |
42 |
6 |
213327 |
267.2 |
1.1 |
0.876 |
4 |
0 |
0 |
0.000 |
42 |
|
H |
27 |
8 |
8295 |
◊ |
B |
x,y,z |
1_555 |
37 |
9 |
12669 |
262.7 |
-0.2 |
0.526 |
5 |
2 |
0 |
0.003 |
43 |
|
[PSU]A:516 |
20 |
1 |
424 |
cf |
A |
x,y,z |
1_555 |
41 |
6 |
213327 |
262.1 |
-0.1 |
0.813 |
2 |
0 |
0 |
0.001 |
44 |
|
K |
30 |
9 |
7224 |
◊ |
G |
x,y,z |
1_555 |
27 |
8 |
10369 |
245.6 |
-1.7 |
0.370 |
2 |
0 |
0 |
0.003 |
45 |
|
[5MC]A:1407 |
21 |
1 |
449 |
cf |
A |
x,y,z |
1_555 |
34 |
4 |
213327 |
244.9 |
0.8 |
0.887 |
5 |
0 |
0 |
0.002 |
46 |
|
J |
21 |
5 |
7723 |
◊ |
J |
-y+1,-x+1,-z+1/2 |
8_665 |
21 |
5 |
7723 |
241.1 |
2.0 |
0.793 |
2 |
2 |
0 |
0.000 |
47 |
|
I |
28 |
10 |
8486 |
◊ |
G |
x,y,z |
1_555 |
27 |
9 |
10369 |
236.2 |
-3.9 |
0.140 |
2 |
0 |
0 |
0.000 |
48 |
|
[PSU]A:1540 |
18 |
1 |
431 |
cf |
A |
x,y,z |
1_555 |
31 |
8 |
213327 |
223.8 |
-3.6 |
0.681 |
0 |
0 |
0 |
0.004 |
49 |
|
Q |
22 |
5 |
7872 |
◊ |
L |
x,y,z |
1_555 |
22 |
6 |
9539 |
205.0 |
-3.1 |
0.195 |
1 |
0 |
0 |
0.003 |
50 |
|
K |
20 |
7 |
7224 |
◊ |
A |
x,y,z-1 |
1_554 |
24 |
3 |
213327 |
186.1 |
-0.5 |
0.767 |
2 |
0 |
0 |
0.000 |
51 |
|
[5MC]A:967 |
17 |
1 |
453 |
cf |
A |
x,y,z |
1_555 |
26 |
4 |
213327 |
179.4 |
-0.7 |
0.664 |
0 |
0 |
0 |
0.000 |
52 |
|
[PSU]A:1541 |
15 |
1 |
430 |
cf |
A |
x,y,z |
1_555 |
21 |
6 |
213327 |
162.2 |
-3.7 |
0.560 |
2 |
0 |
0 |
0.005 |
53 |
|
[5MC]A:1400 |
15 |
1 |
454 |
cf |
A |
x,y,z |
1_555 |
20 |
4 |
213327 |
158.8 |
0.2 |
0.807 |
0 |
0 |
0 |
0.000 |
54 |
|
A |
20 |
5 |
213327 |
◊ |
I |
-y+1/2,x-1/2,z+1/4 |
2_545 |
14 |
3 |
8486 |
156.7 |
-1.4 |
0.725 |
5 |
0 |
0 |
0.000 |
55 |
|
J |
16 |
7 |
7723 |
◊ |
I |
x,y,z |
1_555 |
16 |
5 |
8486 |
155.7 |
-0.7 |
0.426 |
0 |
0 |
0 |
0.000 |
56 |
|
[5MC]A:967 |
16 |
1 |
453 |
cf |
[M2G]A:966 |
x,y,z |
1_555 |
18 |
1 |
536 |
145.9 |
0.6 |
0.761 |
0 |
0 |
0 |
0.000 |
57 |
|
[K]A:1713 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
7 |
213327 |
134.5 |
-83.1 |
0.000 |
0 |
0 |
0 |
0.096 |
58 |
|
[MA6]A:1519 |
19 |
1 |
514 |
cf |
[MA6]A:1518 |
x,y,z |
1_555 |
20 |
1 |
512 |
129.9 |
3.8 |
0.452 |
0 |
0 |
0 |
0.000 |
59 |
|
[K]A:1715 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
10 |
213327 |
128.9 |
-83.6 |
0.000 |
0 |
0 |
0 |
0.097 |
60 |
|
Q |
17 |
5 |
7872 |
◊ |
H |
x,y,z |
1_555 |
17 |
4 |
8295 |
125.7 |
0.6 |
0.619 |
0 |
0 |
0 |
0.000 |
61 |
|
[PSU]A:1541 |
15 |
1 |
430 |
cf |
[PSU]A:1540 |
x,y,z |
1_555 |
17 |
1 |
431 |
124.8 |
0.3 |
0.682 |
1 |
0 |
0 |
0.000 |
62 |
|
[K]A:1719 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
21 |
5 |
213327 |
123.3 |
-69.1 |
0.000 |
0 |
0 |
0 |
0.080 |
63 |
|
A |
13 |
2 |
213327 |
◊ |
G |
-y+1/2,x-1/2,z+1/4 |
2_545 |
12 |
3 |
10369 |
110.4 |
-2.5 |
0.457 |
1 |
0 |
0 |
0.000 |
64 |
|
[M2G]A:966 |
8 |
1 |
536 |
cf |
A |
x,y,z |
1_555 |
18 |
5 |
213327 |
105.7 |
-0.1 |
0.770 |
0 |
0 |
0 |
0.000 |
65 |
|
[K]A:1718 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
18 |
6 |
213327 |
104.7 |
-63.9 |
0.000 |
0 |
0 |
0 |
0.074 |
66 |
|
[K]A:1712 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
13 |
7 |
213327 |
101.9 |
-70.3 |
0.000 |
0 |
0 |
0 |
0.082 |
67 |
|
[K]A:1717 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
213327 |
101.1 |
-55.7 |
0.000 |
0 |
0 |
0 |
0.065 |
68 |
|
A |
11 |
1 |
213327 |
◊ |
[5MC]A:1400 |
-y+1/2,x-1/2,z+1/4 |
2_545 |
14 |
1 |
454 |
83.2 |
-0.3 |
0.719 |
0 |
0 |
0 |
0.000 |
69 |
|
[K]A:1716 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
12 |
7 |
213327 |
80.4 |
-48.7 |
0.000 |
0 |
0 |
0 |
0.057 |
70 |
|
[K]A:1714 |
1 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
4 |
213327 |
77.5 |
-43.7 |
0.000 |
0 |
0 |
0 |
0.051 |
71 |
|
E |
11 |
4 |
8463 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
12177 |
71.8 |
0.5 |
0.569 |
1 |
2 |
0 |
0.000 |
72 |
|
N |
15 |
3 |
5741 |
◊ |
I |
x,y,z |
1_555 |
7 |
2 |
8486 |
67.8 |
0.1 |
0.619 |
0 |
0 |
0 |
0.000 |
73 |
|
[7MG]A:527 |
4 |
1 |
514 |
◊ |
L |
x,y,z |
1_555 |
10 |
4 |
9539 |
66.5 |
-0.3 |
0.523 |
1 |
0 |
0 |
0.000 |
74 |
|
A |
7 |
2 |
213327 |
◊ |
M |
x-1/2,-y+1/2,-z-1/4 |
5_454 |
7 |
3 |
8459 |
65.2 |
-1.8 |
0.374 |
0 |
0 |
0 |
0.000 |
75 |
|
[LLL]A:1743 |
5 |
1 |
635 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
13 |
1 |
447 |
63.6 |
-1.0 |
0.503 |
0 |
0 |
0 |
0.001 |
76 |
|
L |
4 |
1 |
9539 |
◊ |
H |
x,y,z |
1_555 |
7 |
2 |
8295 |
56.5 |
-1.0 |
0.228 |
0 |
0 |
0 |
0.000 |
77 |
|
[M2G]A:966 |
4 |
1 |
536 |
◊ |
I |
x,y,z |
1_555 |
7 |
1 |
8486 |
54.5 |
-2.5 |
0.237 |
0 |
0 |
0 |
0.002 |
78 |
|
[K]A:1719 |
1 |
1 |
216 |
f |
[PSU]A:516 |
x,y,z |
1_555 |
6 |
1 |
424 |
49.9 |
-26.2 |
0.000 |
0 |
0 |
0 |
0.030 |
79 |
|
[LLL]A:1743 |
6 |
1 |
635 |
f |
[5MC]A:1407 |
x,y,z |
1_555 |
3 |
1 |
449 |
49.2 |
-0.8 |
0.564 |
1 |
0 |
0 |
0.001 |
80 |
|
[MA6]A:1519 |
6 |
1 |
514 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
4 |
1 |
447 |
49.0 |
-2.5 |
0.237 |
0 |
0 |
0 |
0.003 |
81 |
|
C |
5 |
3 |
12177 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
12669 |
47.7 |
1.0 |
0.690 |
0 |
0 |
0 |
0.000 |
82 |
|
G |
6 |
3 |
10369 |
◊ |
G |
-y+1,-x+1,-z-1/2 |
8_664 |
6 |
3 |
10369 |
46.8 |
0.7 |
0.679 |
0 |
0 |
0 |
0.000 |
83 |
|
[MA6]A:1519 |
4 |
1 |
514 |
f |
[UR3]A:1498 |
x,y,z |
1_555 |
7 |
1 |
451 |
41.4 |
1.9 |
0.722 |
0 |
0 |
0 |
0.000 |
84 |
|
A |
4 |
2 |
213327 |
◊ |
D |
y,x,-z |
6_555 |
4 |
2 |
12164 |
38.0 |
-0.2 |
0.561 |
1 |
0 |
0 |
0.000 |
85 |
|
[K]A:1718 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
12177 |
34.0 |
-16.3 |
0.000 |
0 |
0 |
0 |
0.019 |
86 |
|
[UR3]A:1498 |
6 |
1 |
451 |
f |
[5MC]A:1404 |
x,y,z |
1_555 |
7 |
1 |
447 |
30.2 |
0.1 |
0.642 |
0 |
0 |
0 |
0.000 |
87 |
|
U |
5 |
3 |
2496 |
◊ |
M |
x,y,z |
1_555 |
4 |
2 |
8459 |
30.0 |
-0.4 |
0.397 |
0 |
0 |
0 |
0.000 |
88 |
|
[K]A:1715 |
1 |
1 |
216 |
◊ |
P |
x,y,z |
1_555 |
5 |
1 |
5651 |
29.7 |
-14.8 |
0.000 |
0 |
0 |
0 |
0.014 |
89 |
|
O |
2 |
1 |
6465 |
◊ |
F |
x,y,z |
1_555 |
3 |
2 |
6977 |
26.0 |
0.5 |
0.426 |
0 |
0 |
0 |
0.000 |
90 |
|
[UR3]A:1498 |
3 |
1 |
451 |
f |
[4OC]A:1402 |
x,y,z |
1_555 |
1 |
1 |
491 |
25.5 |
0.7 |
0.710 |
0 |
0 |
0 |
0.000 |
91 |
|
[5MC]A:967 |
3 |
1 |
453 |
◊ |
I |
x,y,z |
1_555 |
4 |
2 |
8486 |
21.5 |
0.1 |
0.466 |
0 |
0 |
0 |
0.000 |
92 |
|
E |
3 |
1 |
8463 |
◊ |
B |
y,x,-z |
6_555 |
1 |
1 |
12669 |
19.2 |
1.0 |
0.865 |
1 |
1 |
0 |
0.000 |
93 |
|
[2MG]A:1207 |
3 |
1 |
512 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
12177 |
16.7 |
0.2 |
0.620 |
0 |
0 |
0 |
0.000 |
94 |
|
[MA6]A:1518 |
3 |
1 |
512 |
f |
[UR3]A:1498 |
x,y,z |
1_555 |
4 |
1 |
451 |
16.6 |
0.9 |
0.593 |
0 |
0 |
0 |
0.000 |
95 |
|
[ZN]N:101 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
213327 |
13.5 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.006 |
96 |
|
[5MC]A:1400 |
1 |
1 |
454 |
f |
[M2G]A:966 |
x,y,z |
1_555 |
3 |
1 |
536 |
11.4 |
0.3 |
0.497 |
0 |
0 |
0 |
0.000 |
97 |
|
A |
1 |
1 |
213327 |
◊ |
[PSU]A:1541 |
-y+1/2,x-1/2,z+1/4 |
2_545 |
1 |
1 |
430 |
6.0 |
-0.2 |
0.443 |
0 |
0 |
0 |
0.000 |
98 |
|
S |
2 |
1 |
6064 |
◊ |
N |
x,y,z |
1_555 |
2 |
2 |
5741 |
5.2 |
0.1 |
0.694 |
0 |
0 |
0 |
0.000 |
99 |
|
A |
1 |
1 |
213327 |
◊ |
K |
-y+1/2,x-1/2,z+1/4 |
2_545 |
1 |
1 |
7224 |
0.3 |
-0.0 |
0.525 |
0 |
0 |
0 |
0.000 |
|