## |
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 |
|
C |
108 |
31 |
6459 |
◊ |
A |
x,y,z |
1_555 |
109 |
27 |
6686 |
1027.1 |
-9.0 |
0.308 |
13 |
0 |
0 |
0.527 |
2 |
|
B |
107 |
27 |
6618 |
◊ |
A |
x,y,z |
1_555 |
108 |
32 |
6686 |
1025.0 |
-8.5 |
0.335 |
13 |
0 |
0 |
0.527 |
3 |
|
H |
116 |
28 |
6661 |
◊ |
G |
x,y,z |
1_555 |
102 |
32 |
6650 |
1021.7 |
-6.1 |
0.449 |
17 |
0 |
0 |
0.527 |
4 |
|
I |
114 |
30 |
6535 |
◊ |
F |
x,y,z |
1_555 |
107 |
32 |
6555 |
1020.3 |
-8.3 |
0.387 |
15 |
0 |
0 |
0.527 |
5 |
|
H |
103 |
32 |
6661 |
◊ |
F |
x,y,z |
1_555 |
110 |
27 |
6555 |
1017.3 |
-9.1 |
0.314 |
13 |
0 |
0 |
0.527 |
6 |
|
I |
101 |
32 |
6535 |
◊ |
G |
x,y,z |
1_555 |
110 |
28 |
6650 |
1002.0 |
-9.0 |
0.310 |
14 |
0 |
0 |
0.527 |
7 |
|
E |
106 |
30 |
6506 |
◊ |
C |
x,y,z |
1_555 |
107 |
26 |
6459 |
980.4 |
-9.4 |
0.280 |
13 |
0 |
0 |
0.527 |
8 |
|
E |
104 |
26 |
6506 |
◊ |
B |
x,y,z |
1_555 |
99 |
29 |
6618 |
938.8 |
-8.4 |
0.320 |
14 |
0 |
0 |
0.527 |
Average: |
1004.1 |
-8.5 |
0.338 |
14 |
0 |
0 |
0.527 |
2 |
9 |
|
G |
37 |
12 |
6650 |
◊ |
E |
x,y,z |
1_555 |
34 |
12 |
6506 |
338.0 |
1.9 |
0.797 |
6 |
12 |
0 |
0.000 |
10 |
|
I |
33 |
12 |
6535 |
◊ |
C |
x,y,z |
1_555 |
34 |
12 |
6459 |
321.8 |
2.4 |
0.842 |
6 |
12 |
0 |
0.000 |
11 |
|
F |
32 |
12 |
6555 |
◊ |
A |
x,y,z |
1_555 |
34 |
12 |
6686 |
321.8 |
2.4 |
0.840 |
6 |
12 |
0 |
0.000 |
12 |
|
H |
34 |
12 |
6661 |
◊ |
B |
x,y,z |
1_555 |
32 |
12 |
6618 |
321.2 |
1.3 |
0.751 |
6 |
12 |
0 |
0.000 |
Average: |
325.7 |
2.0 |
0.808 |
6 |
12 |
0 |
0.000 |
3 |
13 |
|
F |
27 |
11 |
6555 |
◊ |
I |
-x+2,y-1/2,-z+1 |
2_746 |
29 |
11 |
6535 |
262.2 |
-3.7 |
0.295 |
0 |
0 |
0 |
0.000 |
14 |
|
H |
26 |
11 |
6661 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
28 |
11 |
6650 |
255.8 |
-4.2 |
0.225 |
0 |
0 |
0 |
0.000 |
Average: |
259.0 |
-4.0 |
0.260 |
0 |
0 |
0 |
0.000 |
4 |
15 |
|
A |
25 |
6 |
6686 |
◊ |
E |
-x+1,y-1/2,-z |
2_645 |
21 |
6 |
6506 |
205.5 |
0.2 |
0.651 |
2 |
0 |
0 |
0.000 |
5 |
16 |
|
[GOL]C:302 |
6 |
1 |
215 |
f |
C |
x,y,z |
1_555 |
20 |
6 |
6459 |
122.0 |
0.1 |
0.628 |
2 |
0 |
0 |
0.010 |
6 |
17 |
|
[GOL]A:302 |
6 |
1 |
218 |
f |
B |
x,y,z |
1_555 |
18 |
6 |
6618 |
110.9 |
-0.3 |
0.590 |
2 |
0 |
0 |
0.013 |
7 |
18 |
|
[GOL]F:301 |
6 |
1 |
216 |
f |
F |
x,y,z |
1_555 |
20 |
7 |
6555 |
106.6 |
-0.1 |
0.621 |
1 |
0 |
0 |
0.007 |
8 |
19 |
|
[GOL]G:301 |
6 |
1 |
216 |
f |
I |
x,y,z |
1_555 |
22 |
7 |
6535 |
106.5 |
-0.4 |
0.529 |
1 |
0 |
0 |
0.010 |
9 |
20 |
|
[GOL]H:112 |
6 |
1 |
222 |
f |
H |
x,y,z |
1_555 |
19 |
5 |
6661 |
106.2 |
0.1 |
0.556 |
2 |
0 |
0 |
0.012 |
21 |
|
[GOL]H:301 |
6 |
1 |
221 |
f |
G |
x,y,z |
1_555 |
17 |
4 |
6650 |
97.1 |
-0.1 |
0.585 |
1 |
0 |
0 |
0.012 |
Average: |
101.6 |
-0.0 |
0.571 |
2 |
0 |
0 |
0.012 |
10 |
22 |
|
F |
12 |
3 |
6555 |
◊ |
C |
x,y,z |
1_555 |
12 |
3 |
6459 |
92.9 |
-0.4 |
0.596 |
0 |
0 |
0 |
0.000 |
23 |
|
G |
12 |
3 |
6650 |
◊ |
B |
x,y,z |
1_555 |
12 |
3 |
6618 |
92.6 |
-0.3 |
0.594 |
0 |
0 |
0 |
0.000 |
24 |
|
I |
12 |
3 |
6535 |
◊ |
E |
x,y,z |
1_555 |
12 |
3 |
6506 |
92.4 |
-0.3 |
0.588 |
0 |
0 |
0 |
0.000 |
25 |
|
H |
12 |
3 |
6661 |
◊ |
A |
x,y,z |
1_555 |
12 |
3 |
6686 |
92.4 |
-0.3 |
0.578 |
0 |
0 |
0 |
0.000 |
Average: |
92.6 |
-0.3 |
0.589 |
0 |
0 |
0 |
0.000 |
11 |
26 |
|
H |
11 |
5 |
6661 |
◊ |
E |
-x+1,y-1/2,-z+1 |
2_646 |
13 |
4 |
6506 |
87.6 |
-1.1 |
0.428 |
0 |
0 |
0 |
0.000 |
27 |
|
B |
12 |
5 |
6618 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
9 |
5 |
6650 |
63.0 |
0.0 |
0.593 |
0 |
0 |
0 |
0.000 |
28 |
|
F |
10 |
5 |
6555 |
◊ |
C |
-x+2,y-1/2,-z+1 |
2_746 |
9 |
4 |
6459 |
55.6 |
-0.2 |
0.598 |
0 |
0 |
0 |
0.000 |
29 |
|
A |
8 |
4 |
6686 |
◊ |
I |
-x+2,y-1/2,-z+1 |
2_746 |
6 |
3 |
6535 |
43.5 |
-0.3 |
0.565 |
0 |
0 |
0 |
0.000 |
Average: |
62.4 |
-0.4 |
0.546 |
0 |
0 |
0 |
0.000 |
12 |
30 |
|
E |
10 |
2 |
6506 |
◊ |
I |
x,y,z-1 |
1_554 |
9 |
2 |
6535 |
72.5 |
0.2 |
0.671 |
0 |
0 |
0 |
0.000 |
13 |
31 |
|
C |
7 |
2 |
6459 |
◊ |
G |
x,y,z-1 |
1_554 |
12 |
3 |
6650 |
67.3 |
0.2 |
0.606 |
0 |
0 |
0 |
0.000 |
14 |
32 |
|
[CL]F:201 |
1 |
1 |
125 |
f |
I |
x,y,z |
1_555 |
12 |
7 |
6535 |
52.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.264 |
33 |
|
[CL]G:201 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
12 |
6 |
6661 |
52.2 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.264 |
34 |
|
[CL]A:201 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
11 |
5 |
6686 |
52.0 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.264 |
35 |
|
[CL]H:201 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
12 |
6 |
6555 |
51.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.264 |
36 |
|
[CL]I:201 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
12 |
6 |
6650 |
51.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.264 |
37 |
|
[CL]A:112 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
11 |
5 |
6618 |
51.8 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.264 |
38 |
|
[CL]B:201 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
6506 |
51.7 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.264 |
39 |
|
[CL]C:201 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
11 |
5 |
6459 |
51.6 |
-7.4 |
0.000 |
0 |
0 |
0 |
0.264 |
Average: |
51.9 |
-7.3 |
0.000 |
0 |
0 |
0 |
0.264 |
15 |
40 |
|
[CL]G:201 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
7 |
4 |
6650 |
47.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.187 |
41 |
|
[CL]I:201 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
7 |
4 |
6535 |
47.0 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.187 |
42 |
|
[CL]F:201 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
7 |
4 |
6555 |
46.8 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.187 |
43 |
|
[CL]H:201 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
7 |
4 |
6661 |
46.7 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.187 |
44 |
|
[CL]A:112 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
7 |
4 |
6686 |
46.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.187 |
45 |
|
[CL]C:201 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
7 |
4 |
6506 |
46.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.187 |
46 |
|
[CL]A:201 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
6459 |
46.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.187 |
47 |
|
[CL]B:201 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
6618 |
46.3 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.187 |
Average: |
46.6 |
-5.2 |
0.000 |
0 |
0 |
0 |
0.187 |
16 |
48 |
|
G |
4 |
2 |
6650 |
◊ |
F |
x,y,z |
1_555 |
4 |
2 |
6555 |
46.1 |
0.8 |
0.834 |
2 |
0 |
0 |
0.004 |
49 |
|
E |
2 |
2 |
6506 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
6686 |
17.6 |
-0.3 |
0.411 |
0 |
0 |
0 |
0.004 |
50 |
|
I |
1 |
1 |
6535 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
6661 |
7.2 |
-0.2 |
0.319 |
0 |
0 |
0 |
0.004 |
51 |
|
C |
3 |
2 |
6459 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
6618 |
7.0 |
-0.1 |
0.555 |
0 |
0 |
0 |
0.004 |
Average: |
19.5 |
0.0 |
0.530 |
1 |
0 |
0 |
0.004 |
17 |
52 |
|
[GOL]A:302 |
3 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
6 |
2 |
6686 |
45.6 |
0.2 |
0.634 |
2 |
0 |
0 |
0.006 |
18 |
53 |
|
[GOL]C:302 |
4 |
1 |
215 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
6686 |
42.4 |
1.1 |
0.776 |
2 |
0 |
0 |
0.000 |
19 |
54 |
|
[GOL]A:302 |
4 |
1 |
218 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
6506 |
38.6 |
0.5 |
0.715 |
1 |
0 |
0 |
0.000 |
20 |
55 |
|
[GOL]H:112 |
4 |
1 |
222 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
6650 |
35.0 |
0.1 |
0.626 |
1 |
0 |
0 |
0.003 |
21 |
56 |
|
[GOL]G:301 |
4 |
1 |
216 |
◊ |
G |
x,y,z |
1_555 |
3 |
1 |
6650 |
31.4 |
0.8 |
0.796 |
1 |
0 |
0 |
0.000 |
22 |
57 |
|
[GOL]F:301 |
4 |
1 |
216 |
◊ |
I |
x,y,z |
1_555 |
3 |
1 |
6535 |
31.3 |
0.8 |
0.779 |
1 |
0 |
0 |
0.000 |
23 |
58 |
|
[GOL]H:301 |
3 |
1 |
221 |
◊ |
H |
x,y,z |
1_555 |
3 |
1 |
6661 |
31.2 |
0.5 |
0.649 |
0 |
0 |
0 |
0.000 |
59 |
|
[GOL]H:112 |
2 |
1 |
222 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
6555 |
29.9 |
0.5 |
0.732 |
0 |
0 |
0 |
0.000 |
Average: |
30.5 |
0.5 |
0.691 |
0 |
0 |
0 |
0.000 |
24 |
60 |
|
[GOL]H:301 |
4 |
1 |
221 |
◊ |
I |
x,y,z |
1_555 |
6 |
2 |
6535 |
31.2 |
0.3 |
0.637 |
1 |
0 |
0 |
0.001 |
25 |
61 |
|
[GOL]C:302 |
3 |
1 |
215 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
6506 |
29.9 |
-0.1 |
0.543 |
0 |
0 |
0 |
0.001 |
26 |
62 |
|
[GOL]F:301 |
4 |
1 |
216 |
◊ |
H |
x,y,z |
1_555 |
4 |
2 |
6661 |
29.9 |
0.3 |
0.647 |
1 |
0 |
0 |
0.001 |
27 |
63 |
|
[GOL]G:301 |
4 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
6555 |
27.2 |
0.3 |
0.650 |
1 |
0 |
0 |
0.002 |
28 |
64 |
|
[GOL]H:301 |
2 |
1 |
221 |
◊ |
[GOL]G:301 |
x,y,z |
1_555 |
3 |
1 |
216 |
26.2 |
0.1 |
0.540 |
1 |
0 |
0 |
0.003 |
29 |
65 |
|
[GOL]H:301 |
4 |
1 |
221 |
◊ |
[GOL]H:112 |
x,y,z |
1_555 |
2 |
1 |
222 |
24.7 |
-0.0 |
0.605 |
1 |
0 |
0 |
0.004 |
30 |
66 |
|
[GOL]H:112 |
3 |
1 |
222 |
◊ |
[GOL]F:301 |
x,y,z |
1_555 |
1 |
1 |
216 |
18.0 |
0.3 |
0.500 |
1 |
0 |
0 |
0.001 |
31 |
67 |
|
[GOL]G:301 |
2 |
1 |
216 |
◊ |
[GOL]F:301 |
x,y,z |
1_555 |
2 |
1 |
216 |
17.3 |
0.0 |
0.661 |
0 |
0 |
0 |
0.000 |
32 |
68 |
|
A |
3 |
2 |
6686 |
◊ |
B |
-x+1,y-1/2,-z |
2_645 |
4 |
3 |
6618 |
14.4 |
0.1 |
0.672 |
0 |
0 |
0 |
0.000 |
33 |
69 |
|
H |
1 |
1 |
6661 |
◊ |
B |
-x+1,y-1/2,-z+1 |
2_646 |
2 |
1 |
6618 |
3.6 |
0.2 |
0.756 |
0 |
0 |
0 |
0.000 |
|