| ## |
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 |
|
G |
112 |
30 |
5933 |
◊ |
F |
x,y,z |
1_555 |
111 |
26 |
5882 |
1106.0 |
-28.6 |
0.072 |
3 |
1 |
0 |
0.864 |
2 |
|
H |
110 |
26 |
5890 |
◊ |
F |
x,y,z |
1_555 |
118 |
31 |
5882 |
1104.9 |
-28.0 |
0.098 |
3 |
0 |
0 |
0.864 |
3 |
|
D |
112 |
26 |
5858 |
◊ |
B |
x,y,z |
1_555 |
109 |
29 |
5815 |
1097.8 |
-29.1 |
0.060 |
4 |
1 |
0 |
0.864 |
4 |
|
G |
115 |
26 |
5933 |
◊ |
E |
x,y,z |
1_555 |
113 |
29 |
5872 |
1094.5 |
-28.8 |
0.076 |
2 |
0 |
0 |
0.864 |
5 |
|
C |
112 |
26 |
5937 |
◊ |
A |
x,y,z |
1_555 |
112 |
29 |
5855 |
1092.5 |
-26.9 |
0.102 |
4 |
1 |
0 |
0.864 |
6 |
|
D |
112 |
28 |
5858 |
◊ |
A |
x,y,z |
1_555 |
113 |
26 |
5855 |
1092.3 |
-27.7 |
0.090 |
4 |
0 |
0 |
0.864 |
7 |
|
C |
113 |
28 |
5937 |
◊ |
B |
x,y,z |
1_555 |
110 |
26 |
5815 |
1089.8 |
-29.2 |
0.062 |
3 |
1 |
0 |
0.864 |
8 |
|
H |
117 |
29 |
5890 |
◊ |
E |
x,y,z |
1_555 |
115 |
26 |
5872 |
1082.3 |
-28.3 |
0.090 |
2 |
1 |
0 |
0.864 |
| Average: |
1095.0 |
-28.3 |
0.081 |
3 |
1 |
0 |
0.864 |
| 2 |
9 |
|
H |
59 |
17 |
5890 |
◊ |
G |
x,y,z |
1_555 |
59 |
18 |
5933 |
558.4 |
-8.7 |
0.555 |
2 |
2 |
0 |
0.137 |
10 |
|
D |
59 |
17 |
5858 |
◊ |
C |
x,y,z |
1_555 |
61 |
18 |
5937 |
556.0 |
-8.8 |
0.548 |
2 |
2 |
0 |
0.137 |
11 |
|
F |
53 |
17 |
5882 |
◊ |
E |
x,y,z |
1_555 |
55 |
17 |
5872 |
492.7 |
-7.5 |
0.585 |
2 |
2 |
0 |
0.137 |
12 |
|
B |
51 |
17 |
5815 |
◊ |
A |
x,y,z |
1_555 |
54 |
17 |
5855 |
472.0 |
-8.0 |
0.558 |
2 |
2 |
0 |
0.137 |
| Average: |
519.8 |
-8.2 |
0.561 |
2 |
2 |
0 |
0.137 |
| 3 |
13 |
|
S |
38 |
8 |
1088 |
◊ |
D |
x,y,z |
1_555 |
48 |
14 |
5858 |
428.3 |
-4.6 |
0.394 |
5 |
2 |
0 |
1.000 |
14 |
|
U |
36 |
7 |
978 |
◊ |
C |
x,y,z |
1_555 |
45 |
14 |
5937 |
412.7 |
-5.3 |
0.408 |
3 |
0 |
0 |
1.000 |
15 |
|
Y |
38 |
7 |
975 |
◊ |
F |
x,y,z |
1_555 |
44 |
14 |
5882 |
407.1 |
-4.8 |
0.465 |
5 |
2 |
0 |
1.000 |
16 |
|
W |
38 |
7 |
967 |
◊ |
H |
x,y,z |
1_555 |
44 |
14 |
5890 |
406.2 |
-5.3 |
0.431 |
4 |
2 |
0 |
1.000 |
17 |
|
V |
36 |
7 |
971 |
◊ |
A |
x,y,z |
1_555 |
45 |
14 |
5855 |
404.8 |
-5.0 |
0.420 |
4 |
2 |
0 |
1.000 |
18 |
|
T |
37 |
7 |
961 |
◊ |
B |
x,y,z |
1_555 |
44 |
14 |
5815 |
403.0 |
-4.9 |
0.415 |
6 |
2 |
0 |
1.000 |
19 |
|
X |
36 |
7 |
948 |
◊ |
E |
x,y,z |
1_555 |
47 |
14 |
5872 |
401.9 |
-4.7 |
0.478 |
6 |
2 |
0 |
1.000 |
20 |
|
Z |
36 |
7 |
959 |
◊ |
G |
x,y,z |
1_555 |
48 |
14 |
5933 |
397.8 |
-4.8 |
0.434 |
5 |
2 |
0 |
1.000 |
| Average: |
407.7 |
-4.9 |
0.431 |
5 |
2 |
0 |
1.000 |
| 4 |
21 |
|
F |
25 |
8 |
5882 |
x |
C |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
23 |
8 |
5937 |
201.6 |
-1.8 |
0.717 |
0 |
0 |
0 |
0.000 |
22 |
|
G |
16 |
6 |
5933 |
x |
H |
-y,x-y+1,z |
2_565 |
22 |
6 |
5890 |
172.2 |
-1.9 |
0.622 |
0 |
0 |
0 |
0.000 |
23 |
|
F |
21 |
7 |
5882 |
x |
D |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
18 |
6 |
5858 |
168.7 |
-1.6 |
0.674 |
0 |
0 |
0 |
0.000 |
24 |
|
G |
18 |
6 |
5933 |
x |
B |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
22 |
7 |
5815 |
160.8 |
-1.6 |
0.717 |
0 |
0 |
0 |
0.000 |
25 |
|
D |
16 |
5 |
5858 |
x |
C |
-y,x-y,z |
2_555 |
16 |
6 |
5937 |
160.5 |
-1.6 |
0.642 |
0 |
0 |
0 |
0.000 |
26 |
|
A |
18 |
8 |
5855 |
x |
A |
-y,x-y,z |
2_555 |
17 |
5 |
5855 |
157.3 |
-1.7 |
0.666 |
0 |
0 |
0 |
0.000 |
27 |
|
H |
19 |
7 |
5890 |
x |
B |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
14 |
4 |
5815 |
144.3 |
-1.8 |
0.654 |
0 |
0 |
0 |
0.000 |
28 |
|
E |
18 |
7 |
5872 |
x |
E |
-y,x-y+1,z |
2_565 |
17 |
6 |
5872 |
131.3 |
-1.4 |
0.648 |
0 |
0 |
0 |
0.000 |
| Average: |
162.1 |
-1.7 |
0.667 |
0 |
0 |
0 |
0.000 |
| 5 |
29 |
|
F |
22 |
6 |
5882 |
◊ |
H |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
19 |
5 |
5890 |
163.8 |
0.2 |
0.856 |
2 |
0 |
0 |
0.000 |
| 6 |
30 |
|
C |
13 |
5 |
5937 |
x |
C |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
24 |
5 |
5937 |
148.1 |
-0.2 |
0.786 |
2 |
2 |
0 |
0.000 |
| 7 |
31 |
|
T |
14 |
5 |
961 |
◊ |
C |
x,y,z |
1_555 |
14 |
4 |
5937 |
140.9 |
0.7 |
0.802 |
2 |
1 |
0 |
0.018 |
32 |
|
Z |
17 |
6 |
959 |
◊ |
E |
x,y,z |
1_555 |
16 |
4 |
5872 |
134.5 |
-0.1 |
0.744 |
1 |
1 |
0 |
0.018 |
33 |
|
V |
14 |
5 |
971 |
◊ |
D |
x,y,z |
1_555 |
14 |
4 |
5858 |
127.4 |
0.4 |
0.779 |
2 |
1 |
0 |
0.018 |
34 |
|
Y |
15 |
5 |
975 |
◊ |
G |
x,y,z |
1_555 |
13 |
4 |
5933 |
126.2 |
0.4 |
0.788 |
2 |
1 |
0 |
0.018 |
35 |
|
U |
16 |
6 |
978 |
◊ |
A |
x,y,z |
1_555 |
17 |
5 |
5855 |
125.8 |
0.0 |
0.779 |
1 |
1 |
0 |
0.018 |
36 |
|
S |
14 |
5 |
1088 |
◊ |
B |
x,y,z |
1_555 |
14 |
4 |
5815 |
120.7 |
0.1 |
0.740 |
1 |
0 |
0 |
0.018 |
37 |
|
X |
15 |
5 |
948 |
◊ |
H |
x,y,z |
1_555 |
11 |
3 |
5890 |
114.1 |
0.1 |
0.756 |
2 |
1 |
0 |
0.018 |
38 |
|
W |
14 |
6 |
967 |
◊ |
F |
x,y,z |
1_555 |
13 |
4 |
5882 |
110.7 |
0.3 |
0.756 |
2 |
1 |
0 |
0.018 |
| Average: |
125.0 |
0.2 |
0.768 |
2 |
1 |
0 |
0.018 |
| 8 |
39 |
|
F |
14 |
4 |
5882 |
x |
F |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
15 |
5 |
5882 |
130.2 |
0.4 |
0.794 |
0 |
0 |
0 |
0.000 |
| 9 |
40 |
|
F |
15 |
4 |
5882 |
◊ |
G |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
14 |
5 |
5933 |
126.4 |
-1.3 |
0.676 |
0 |
0 |
0 |
0.000 |
| 10 |
41 |
|
A |
11 |
4 |
5855 |
◊ |
B |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
16 |
4 |
5815 |
123.5 |
0.4 |
0.809 |
1 |
0 |
0 |
0.000 |
| 11 |
42 |
|
W |
9 |
3 |
967 |
◊ |
B |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
14 |
4 |
5815 |
90.7 |
-0.7 |
0.639 |
0 |
0 |
0 |
0.000 |
| 12 |
43 |
|
Y |
10 |
3 |
975 |
◊ |
C |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
15 |
4 |
5937 |
90.3 |
-0.6 |
0.620 |
0 |
0 |
0 |
0.000 |
44 |
|
E |
12 |
4 |
5872 |
◊ |
X |
-y,x-y+1,z |
2_565 |
7 |
2 |
948 |
75.4 |
0.0 |
0.748 |
0 |
0 |
0 |
0.000 |
45 |
|
V |
6 |
2 |
971 |
◊ |
A |
-y,x-y,z |
2_555 |
11 |
3 |
5855 |
65.6 |
-0.3 |
0.660 |
0 |
1 |
0 |
0.000 |
46 |
|
G |
10 |
3 |
5933 |
◊ |
T |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
6 |
2 |
961 |
56.7 |
-0.2 |
0.693 |
0 |
1 |
0 |
0.000 |
47 |
|
D |
8 |
2 |
5858 |
◊ |
U |
-y,x-y,z |
2_555 |
6 |
2 |
978 |
53.3 |
-0.2 |
0.675 |
0 |
0 |
0 |
0.000 |
48 |
|
F |
8 |
2 |
5882 |
◊ |
S |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
6 |
2 |
1088 |
50.7 |
-0.5 |
0.610 |
0 |
0 |
0 |
0.000 |
| Average: |
65.3 |
-0.3 |
0.668 |
0 |
0 |
0 |
0.000 |
| 13 |
49 |
|
A |
10 |
5 |
5855 |
◊ |
T |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
12 |
4 |
961 |
87.1 |
0.1 |
0.711 |
2 |
0 |
0 |
0.000 |
| 14 |
50 |
|
E |
8 |
3 |
5872 |
◊ |
F |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
6 |
2 |
5882 |
80.2 |
0.2 |
0.693 |
1 |
0 |
0 |
0.000 |
| 15 |
51 |
|
Y |
6 |
1 |
975 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
5890 |
71.9 |
-0.3 |
0.613 |
1 |
2 |
0 |
0.025 |
52 |
|
W |
7 |
1 |
967 |
◊ |
E |
x,y,z |
1_555 |
8 |
3 |
5872 |
71.9 |
-0.3 |
0.625 |
1 |
2 |
0 |
0.025 |
53 |
|
V |
6 |
1 |
971 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
5937 |
71.5 |
-0.3 |
0.602 |
2 |
2 |
0 |
0.025 |
54 |
|
S |
6 |
1 |
1088 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
5855 |
71.0 |
-0.3 |
0.582 |
0 |
2 |
0 |
0.025 |
55 |
|
U |
6 |
1 |
978 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
5815 |
70.2 |
-0.4 |
0.615 |
0 |
2 |
0 |
0.025 |
56 |
|
Z |
6 |
1 |
959 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
5882 |
70.0 |
-0.2 |
0.631 |
1 |
2 |
0 |
0.025 |
57 |
|
T |
6 |
1 |
961 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
5858 |
69.8 |
-0.1 |
0.643 |
1 |
2 |
0 |
0.025 |
58 |
|
X |
6 |
1 |
948 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
5933 |
67.5 |
-0.2 |
0.636 |
2 |
2 |
0 |
0.025 |
| Average: |
70.5 |
-0.3 |
0.618 |
1 |
2 |
0 |
0.025 |
| 16 |
59 |
|
Z |
5 |
2 |
959 |
◊ |
H |
-y,x-y+1,z |
2_565 |
9 |
2 |
5890 |
49.3 |
-0.0 |
0.714 |
0 |
0 |
0 |
0.000 |
| 17 |
60 |
|
B |
3 |
2 |
5815 |
◊ |
D |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
7 |
3 |
5858 |
48.5 |
-0.4 |
0.605 |
0 |
0 |
0 |
0.000 |
| 18 |
61 |
|
E |
3 |
1 |
5872 |
◊ |
G |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
8 |
3 |
5933 |
45.1 |
0.7 |
0.865 |
0 |
0 |
0 |
0.000 |
| 19 |
62 |
|
S |
7 |
2 |
1088 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
5890 |
41.1 |
-0.3 |
0.551 |
0 |
0 |
0 |
0.000 |
| 20 |
63 |
|
F |
3 |
1 |
5882 |
◊ |
E |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
6 |
2 |
5872 |
39.1 |
0.3 |
0.790 |
1 |
0 |
0 |
0.000 |
| 21 |
64 |
|
W |
7 |
3 |
967 |
◊ |
H |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
4 |
2 |
5890 |
37.8 |
0.5 |
0.791 |
1 |
1 |
0 |
0.000 |
| 22 |
65 |
|
E |
4 |
2 |
5872 |
◊ |
A |
-x+y-1/3,-x+1/3,z-2/3 |
6_454 |
3 |
1 |
5855 |
33.5 |
0.9 |
0.890 |
0 |
0 |
0 |
0.000 |
| 23 |
66 |
|
E |
5 |
3 |
5872 |
◊ |
H |
-y,x-y+1,z |
2_565 |
7 |
3 |
5890 |
31.5 |
0.1 |
0.765 |
0 |
0 |
0 |
0.000 |
67 |
|
D |
3 |
3 |
5858 |
◊ |
A |
-y,x-y,z |
2_555 |
3 |
3 |
5855 |
19.3 |
0.4 |
0.827 |
0 |
0 |
0 |
0.000 |
68 |
|
F |
2 |
2 |
5882 |
◊ |
B |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
4 |
2 |
5815 |
14.6 |
0.2 |
0.799 |
0 |
0 |
0 |
0.000 |
69 |
|
G |
2 |
2 |
5933 |
◊ |
C |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
3 |
2 |
5937 |
11.1 |
0.2 |
0.786 |
0 |
0 |
0 |
0.000 |
| Average: |
19.1 |
0.2 |
0.794 |
0 |
0 |
0 |
0.000 |
| 24 |
70 |
|
S |
3 |
1 |
1088 |
◊ |
G |
x,y,z |
1_555 |
4 |
1 |
5933 |
25.6 |
0.8 |
0.827 |
0 |
2 |
0 |
0.000 |
| 25 |
71 |
|
Z |
4 |
2 |
959 |
◊ |
A |
-x+y-1/3,-x+1/3,z-2/3 |
6_454 |
3 |
2 |
5855 |
17.6 |
0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
| 26 |
72 |
|
Y |
1 |
1 |
975 |
◊ |
T |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
1 |
1 |
961 |
12.1 |
0.3 |
0.757 |
0 |
0 |
0 |
0.000 |
73 |
|
V |
1 |
1 |
971 |
◊ |
U |
-y,x-y,z |
2_555 |
1 |
1 |
978 |
10.6 |
0.2 |
0.747 |
0 |
0 |
0 |
0.000 |
| Average: |
11.4 |
0.3 |
0.752 |
0 |
0 |
0 |
0.000 |
| 27 |
74 |
|
W |
2 |
1 |
967 |
◊ |
G |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
1 |
1 |
5933 |
10.1 |
-0.1 |
0.469 |
0 |
0 |
0 |
0.000 |
| 28 |
75 |
|
C |
2 |
2 |
5937 |
◊ |
H |
x+2/3,y+1/3,z+1/3 |
4_555 |
3 |
2 |
5890 |
8.4 |
0.1 |
0.763 |
0 |
0 |
0 |
0.000 |
| 29 |
76 |
|
H |
1 |
1 |
5890 |
◊ |
F |
-y-1/3,x-y+1/3,z+1/3 |
5_455 |
1 |
1 |
5882 |
6.9 |
-0.2 |
0.365 |
0 |
0 |
0 |
0.000 |
| 30 |
77 |
|
D |
2 |
1 |
5858 |
◊ |
C |
-x+y-1/3,-x+1/3,z+1/3 |
6_455 |
3 |
1 |
5937 |
4.2 |
-0.0 |
0.667 |
0 |
0 |
0 |
0.000 |
| 31 |
78 |
|
G |
1 |
1 |
5933 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
5815 |
4.1 |
0.1 |
0.803 |
0 |
0 |
0 |
0.000 |
|