## |
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 |
|
J |
678 |
145 |
31888 |
◊ |
I |
x,y,z |
1_555 |
667 |
145 |
31985 |
6483.9 |
-71.3 |
0.999 |
346 |
0 |
0 |
0.815 |
2 |
2 |
|
F |
231 |
53 |
7294 |
◊ |
E |
x,y,z |
1_555 |
262 |
60 |
8590 |
2481.3 |
-44.0 |
0.029 |
26 |
5 |
0 |
0.837 |
3 |
|
B |
230 |
52 |
6337 |
◊ |
A |
x,y,z |
1_555 |
253 |
59 |
8413 |
2401.3 |
-38.7 |
0.085 |
25 |
4 |
0 |
0.837 |
Average: |
2441.3 |
-41.4 |
0.057 |
26 |
5 |
0 |
0.837 |
3 |
4 |
|
D |
249 |
61 |
7776 |
◊ |
C |
x,y,z |
1_555 |
236 |
59 |
9046 |
2464.4 |
-42.2 |
0.045 |
24 |
13 |
0 |
0.831 |
5 |
|
H |
254 |
60 |
7487 |
◊ |
G |
x,y,z |
1_555 |
240 |
61 |
8481 |
2430.1 |
-44.4 |
0.030 |
24 |
9 |
0 |
0.831 |
Average: |
2447.3 |
-43.3 |
0.038 |
24 |
11 |
0 |
0.831 |
4 |
6 |
|
I |
100 |
21 |
31985 |
◊ |
E |
x,y,z |
1_555 |
83 |
23 |
8590 |
768.8 |
-7.5 |
0.833 |
11 |
0 |
0 |
0.094 |
5 |
7 |
|
J |
99 |
23 |
31888 |
◊ |
A |
x,y,z |
1_555 |
76 |
23 |
8413 |
762.9 |
-10.6 |
0.749 |
12 |
0 |
0 |
0.189 |
6 |
8 |
|
J |
89 |
17 |
31888 |
◊ |
E |
x,y,z |
1_555 |
74 |
22 |
8590 |
709.0 |
-11.6 |
0.678 |
15 |
0 |
0 |
0.236 |
7 |
9 |
|
I |
86 |
16 |
31985 |
◊ |
A |
x,y,z |
1_555 |
73 |
22 |
8413 |
683.7 |
-14.5 |
0.558 |
15 |
0 |
0 |
0.258 |
8 |
10 |
|
G |
61 |
16 |
8481 |
◊ |
A |
x,y,z |
1_555 |
60 |
20 |
8413 |
660.2 |
-7.2 |
0.334 |
8 |
0 |
0 |
0.153 |
11 |
|
C |
59 |
16 |
9046 |
◊ |
E |
x,y,z |
1_555 |
62 |
21 |
8590 |
655.5 |
-7.6 |
0.315 |
8 |
0 |
0 |
0.153 |
Average: |
657.9 |
-7.4 |
0.325 |
8 |
0 |
0 |
0.153 |
9 |
12 |
|
E |
56 |
14 |
8590 |
◊ |
A |
x,y,z |
1_555 |
59 |
14 |
8413 |
579.0 |
-11.9 |
0.137 |
0 |
2 |
0 |
0.389 |
10 |
13 |
|
J |
70 |
15 |
31888 |
◊ |
C |
x,y,z |
1_555 |
55 |
19 |
9046 |
548.3 |
-5.7 |
0.749 |
12 |
0 |
0 |
0.143 |
11 |
14 |
|
I |
73 |
13 |
31985 |
◊ |
C |
x,y,z |
1_555 |
58 |
16 |
9046 |
492.9 |
-8.4 |
0.680 |
7 |
0 |
0 |
0.173 |
12 |
15 |
|
D |
48 |
13 |
7776 |
◊ |
B |
x,y,z |
1_555 |
52 |
11 |
6337 |
486.6 |
-3.5 |
0.607 |
5 |
3 |
0 |
0.145 |
16 |
|
H |
50 |
12 |
7487 |
◊ |
F |
x,y,z |
1_555 |
48 |
11 |
7294 |
473.4 |
-2.3 |
0.626 |
4 |
2 |
0 |
0.145 |
Average: |
480.0 |
-2.9 |
0.617 |
5 |
3 |
0 |
0.145 |
13 |
17 |
|
I |
61 |
13 |
31985 |
◊ |
D |
x,y,z |
1_555 |
49 |
15 |
7776 |
463.7 |
-9.7 |
0.502 |
14 |
0 |
0 |
0.404 |
14 |
18 |
|
I |
56 |
12 |
31985 |
◊ |
G |
x,y,z |
1_555 |
47 |
17 |
8481 |
426.5 |
-6.2 |
0.650 |
10 |
0 |
0 |
0.130 |
15 |
19 |
|
C |
43 |
14 |
9046 |
◊ |
F |
x,y,z |
1_555 |
51 |
13 |
7294 |
419.6 |
-3.8 |
0.441 |
5 |
0 |
0 |
0.090 |
20 |
|
G |
46 |
15 |
8481 |
◊ |
B |
x,y,z |
1_555 |
50 |
13 |
6337 |
418.5 |
-3.2 |
0.465 |
6 |
0 |
0 |
0.090 |
Average: |
419.0 |
-3.5 |
0.453 |
6 |
0 |
0 |
0.090 |
16 |
21 |
|
J |
52 |
12 |
31888 |
◊ |
G |
x,y,z |
1_555 |
48 |
12 |
8481 |
369.8 |
-6.4 |
0.635 |
7 |
0 |
0 |
0.139 |
17 |
22 |
|
J |
46 |
9 |
31888 |
◊ |
D |
x,y,z |
1_555 |
40 |
12 |
7776 |
364.9 |
-6.3 |
0.631 |
4 |
0 |
0 |
0.119 |
18 |
23 |
|
J |
43 |
8 |
31888 |
◊ |
B |
x,y,z |
1_555 |
40 |
16 |
6337 |
348.4 |
-7.5 |
0.508 |
9 |
0 |
0 |
0.168 |
19 |
24 |
|
I |
39 |
8 |
31985 |
◊ |
F |
x,y,z |
1_555 |
39 |
14 |
7294 |
334.8 |
-6.7 |
0.503 |
6 |
0 |
0 |
0.141 |
20 |
25 |
|
J |
44 |
10 |
31888 |
◊ |
F |
x,y,z |
1_555 |
30 |
11 |
7294 |
323.9 |
-3.5 |
0.695 |
4 |
0 |
0 |
0.073 |
21 |
26 |
|
J |
36 |
9 |
31888 |
◊ |
H |
x,y,z |
1_555 |
32 |
12 |
7487 |
303.1 |
-7.0 |
0.453 |
7 |
0 |
0 |
0.139 |
22 |
27 |
|
F |
26 |
7 |
7294 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
30 |
9 |
7776 |
271.9 |
0.4 |
0.740 |
3 |
3 |
0 |
0.004 |
23 |
28 |
|
I |
39 |
9 |
31985 |
◊ |
B |
x,y,z |
1_555 |
27 |
10 |
6337 |
237.9 |
-0.6 |
0.812 |
3 |
0 |
0 |
0.019 |
24 |
29 |
|
H |
30 |
10 |
7487 |
◊ |
B |
x,y,z |
1_555 |
25 |
6 |
6337 |
226.8 |
-2.4 |
0.535 |
2 |
0 |
0 |
0.086 |
30 |
|
D |
29 |
9 |
7776 |
◊ |
F |
x,y,z |
1_555 |
24 |
7 |
7294 |
203.2 |
-1.3 |
0.609 |
3 |
2 |
0 |
0.086 |
Average: |
215.0 |
-1.9 |
0.572 |
3 |
1 |
0 |
0.086 |
25 |
31 |
|
I |
29 |
4 |
31985 |
◊ |
H |
x,y,z |
1_555 |
24 |
10 |
7487 |
221.6 |
-5.7 |
0.481 |
3 |
0 |
0 |
0.106 |
26 |
32 |
|
F |
18 |
6 |
7294 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
26 |
6 |
9046 |
180.5 |
-1.5 |
0.520 |
1 |
2 |
0 |
0.007 |
27 |
33 |
|
G |
17 |
5 |
8481 |
◊ |
C |
x,y,z |
1_555 |
18 |
4 |
9046 |
133.4 |
0.3 |
0.710 |
2 |
0 |
0 |
0.004 |
28 |
34 |
|
J |
14 |
3 |
31888 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
12 |
3 |
8413 |
108.6 |
-1.7 |
0.574 |
0 |
0 |
0 |
0.000 |
29 |
35 |
|
J |
14 |
1 |
31888 |
◊ |
I |
x-1/2,-y-1/2,-z+1 |
4_446 |
14 |
1 |
31985 |
92.9 |
1.4 |
0.812 |
0 |
0 |
0 |
0.000 |
30 |
36 |
|
J |
12 |
3 |
31888 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
11 |
4 |
7776 |
91.6 |
-2.8 |
0.473 |
0 |
0 |
0 |
0.008 |
31 |
37 |
|
I |
13 |
2 |
31985 |
◊ |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
14 |
4 |
31888 |
82.5 |
1.6 |
0.831 |
0 |
0 |
0 |
0.000 |
32 |
38 |
|
I |
11 |
3 |
31985 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
10 |
3 |
7776 |
75.6 |
-1.2 |
0.592 |
0 |
0 |
0 |
0.003 |
33 |
39 |
|
E |
11 |
4 |
8590 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
3 |
9046 |
73.6 |
0.9 |
0.755 |
1 |
0 |
0 |
0.000 |
34 |
40 |
|
E |
9 |
2 |
8590 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
5 |
7776 |
68.1 |
0.1 |
0.692 |
0 |
0 |
0 |
0.000 |
35 |
41 |
|
H |
7 |
4 |
7487 |
◊ |
C |
x,y,z |
1_555 |
6 |
3 |
9046 |
63.5 |
-0.4 |
0.542 |
1 |
0 |
0 |
0.013 |
42 |
|
D |
4 |
2 |
7776 |
◊ |
G |
x,y,z |
1_555 |
8 |
3 |
8481 |
42.2 |
-0.1 |
0.671 |
0 |
0 |
0 |
0.013 |
Average: |
52.9 |
-0.3 |
0.606 |
1 |
0 |
0 |
0.013 |
36 |
43 |
|
[CL]E:1001 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
8 |
3 |
8590 |
62.1 |
-9.8 |
0.000 |
0 |
0 |
0 |
0.611 |
44 |
|
[CL]A:1001 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
10 |
4 |
8413 |
61.0 |
-9.4 |
0.000 |
0 |
0 |
0 |
0.611 |
Average: |
61.6 |
-9.6 |
0.000 |
0 |
0 |
0 |
0.611 |
37 |
45 |
|
J |
7 |
1 |
31888 |
x |
J |
x-1/2,-y-1/2,-z+1 |
4_446 |
9 |
1 |
31888 |
57.5 |
-1.6 |
0.494 |
0 |
0 |
0 |
0.000 |
38 |
46 |
|
[MN]J:1001 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
3 |
31888 |
57.0 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.072 |
39 |
47 |
|
[MN]J:1003 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
31888 |
56.0 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.058 |
40 |
48 |
|
[MN]I:1002 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
8 |
3 |
31985 |
54.4 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.106 |
41 |
49 |
|
[MN]I:1004 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
11 |
3 |
31985 |
52.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.088 |
42 |
50 |
|
[MN]I:1005 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
11 |
4 |
31985 |
51.8 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.091 |
43 |
51 |
|
[MN]J:1002 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
8 |
3 |
31888 |
51.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.057 |
44 |
52 |
|
[MN]I:1003 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
9 |
3 |
31985 |
51.0 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.088 |
45 |
53 |
|
[MN]J:1004 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
9 |
3 |
31888 |
50.4 |
-3.7 |
0.000 |
0 |
0 |
0 |
0.055 |
46 |
54 |
|
[MN]J:1005 |
1 |
1 |
123 |
f |
J |
x,y,z |
1_555 |
7 |
2 |
31888 |
50.1 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.034 |
47 |
55 |
|
H |
8 |
4 |
7487 |
◊ |
I |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
2 |
31985 |
49.1 |
-2.0 |
0.447 |
1 |
0 |
0 |
0.007 |
48 |
56 |
|
E |
11 |
3 |
8590 |
◊ |
[MN]D:201 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
123 |
47.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.006 |
49 |
57 |
|
G |
5 |
2 |
8481 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
6 |
2 |
31985 |
46.3 |
-0.2 |
0.627 |
1 |
0 |
0 |
0.000 |
50 |
58 |
|
[CL]G:1001 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
8481 |
45.8 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.100 |
59 |
|
[CL]C:1001 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
9046 |
43.9 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.100 |
Average: |
44.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.100 |
51 |
60 |
|
[CL]C:1001 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
7776 |
43.7 |
-5.5 |
0.000 |
0 |
0 |
0 |
0.080 |
61 |
|
[CL]G:1001 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
7 |
3 |
7487 |
42.3 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.080 |
Average: |
43.0 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.080 |
52 |
62 |
|
[MN]I:1006 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
6 |
2 |
31985 |
40.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.087 |
53 |
63 |
|
[MN]I:1001 |
1 |
1 |
123 |
f |
I |
x,y,z |
1_555 |
6 |
2 |
31985 |
38.9 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.083 |
54 |
64 |
|
[MN]I:1006 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
5 |
3 |
31888 |
37.9 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.008 |
55 |
65 |
|
[MN]I:1001 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
3 |
2 |
31888 |
36.1 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.009 |
56 |
66 |
|
[MN]D:201 |
1 |
1 |
123 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
7776 |
35.8 |
-2.1 |
0.000 |
0 |
0 |
0 |
0.100 |
57 |
67 |
|
I |
9 |
2 |
31985 |
◊ |
[MN]J:1005 |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
123 |
35.2 |
-2.0 |
0.000 |
0 |
0 |
0 |
0.000 |
58 |
68 |
|
[MN]I:1004 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
31888 |
33.4 |
-1.7 |
0.000 |
0 |
0 |
0 |
0.006 |
59 |
69 |
|
C |
6 |
3 |
9046 |
◊ |
A |
x,y,z |
1_555 |
2 |
2 |
8413 |
22.1 |
1.1 |
0.850 |
0 |
0 |
0 |
0.000 |
70 |
|
G |
4 |
2 |
8481 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
8590 |
13.1 |
0.6 |
0.833 |
0 |
0 |
0 |
0.000 |
Average: |
17.6 |
0.9 |
0.842 |
0 |
0 |
0 |
0.000 |
60 |
71 |
|
J |
5 |
2 |
31888 |
◊ |
I |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
2 |
31985 |
21.9 |
-1.6 |
0.396 |
0 |
0 |
0 |
0.000 |
61 |
72 |
|
I |
6 |
2 |
31985 |
◊ |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
2 |
31888 |
20.9 |
-0.5 |
0.531 |
0 |
0 |
0 |
0.000 |
62 |
73 |
|
[MN]D:201 |
1 |
1 |
123 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
9046 |
20.2 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.010 |
63 |
74 |
|
[MN]I:1002 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
31888 |
18.5 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
64 |
75 |
|
[MN]I:1004 |
1 |
1 |
123 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
7776 |
18.5 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.003 |
65 |
76 |
|
[MN]J:1005 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
31985 |
17.3 |
-1.6 |
0.000 |
0 |
0 |
0 |
0.006 |
66 |
77 |
|
[MN]J:1001 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
3 |
2 |
31985 |
17.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
67 |
78 |
|
[CL]C:1001 |
1 |
1 |
125 |
◊ |
J |
x,y,z |
1_555 |
3 |
1 |
31888 |
16.5 |
-2.3 |
0.000 |
0 |
0 |
0 |
0.029 |
68 |
79 |
|
[CL]G:1001 |
1 |
1 |
125 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
31985 |
16.3 |
-2.4 |
0.000 |
0 |
0 |
0 |
0.029 |
69 |
80 |
|
H |
2 |
1 |
7487 |
◊ |
J |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
31888 |
16.1 |
-0.1 |
0.512 |
0 |
0 |
0 |
0.000 |
70 |
81 |
|
F |
3 |
2 |
7294 |
◊ |
[MN]D:201 |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
123 |
14.7 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.002 |
71 |
82 |
|
I |
3 |
1 |
31985 |
x |
I |
x-1,y,z |
1_455 |
4 |
1 |
31985 |
14.3 |
-0.7 |
0.461 |
0 |
0 |
0 |
0.000 |
72 |
83 |
|
[MN]J:1002 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
31985 |
13.1 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
73 |
84 |
|
I |
2 |
1 |
31985 |
x |
I |
x-1/2,-y-1/2,-z+1 |
4_446 |
2 |
1 |
31985 |
11.1 |
0.5 |
0.630 |
0 |
0 |
0 |
0.000 |
74 |
85 |
|
[CL]E:1001 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
7294 |
10.4 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.019 |
86 |
|
[CL]A:1001 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
6337 |
10.1 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.019 |
Average: |
10.2 |
-1.2 |
0.000 |
0 |
0 |
0 |
0.019 |
75 |
87 |
|
J |
2 |
1 |
31888 |
x |
J |
-x-1,y-1/2,-z+1/2 |
3_445 |
1 |
1 |
31888 |
9.4 |
-0.2 |
0.350 |
0 |
0 |
0 |
0.000 |
76 |
88 |
|
J |
2 |
2 |
31888 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
1 |
9046 |
8.5 |
-0.3 |
0.477 |
0 |
0 |
0 |
0.001 |
77 |
89 |
|
[MN]I:1005 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
2 |
2 |
31888 |
6.3 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.002 |
78 |
90 |
|
[MN]I:1003 |
1 |
1 |
123 |
◊ |
J |
x,y,z |
1_555 |
1 |
1 |
31888 |
5.7 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
79 |
91 |
|
[MN]J:1004 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
31985 |
5.6 |
-0.2 |
0.000 |
0 |
0 |
0 |
0.000 |
80 |
92 |
|
[MN]J:1003 |
1 |
1 |
123 |
◊ |
I |
x,y,z |
1_555 |
2 |
2 |
31985 |
3.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.001 |
81 |
93 |
|
I |
1 |
1 |
31985 |
◊ |
E |
x-1/2,-y-1/2,-z+1 |
4_446 |
1 |
1 |
8590 |
3.1 |
0.0 |
0.507 |
0 |
0 |
0 |
0.000 |
|