## |
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 |
|
L |
93 |
26 |
6780 |
◊ |
J |
x,y,z |
1_555 |
93 |
26 |
6779 |
907.4 |
-13.6 |
0.121 |
10 |
4 |
0 |
0.338 |
2 |
|
E |
96 |
26 |
6790 |
◊ |
B |
x,y,z |
1_555 |
90 |
25 |
6700 |
904.0 |
-14.5 |
0.105 |
10 |
4 |
0 |
0.338 |
3 |
|
C |
91 |
25 |
6709 |
◊ |
A |
x,y,z |
1_555 |
90 |
26 |
6707 |
898.9 |
-14.1 |
0.110 |
10 |
4 |
0 |
0.338 |
4 |
|
F |
93 |
26 |
6802 |
◊ |
D |
x,y,z |
1_555 |
92 |
25 |
6774 |
897.7 |
-14.1 |
0.117 |
11 |
4 |
0 |
0.338 |
5 |
|
I |
94 |
27 |
6767 |
◊ |
G |
x,y,z |
1_555 |
94 |
25 |
6798 |
896.0 |
-14.0 |
0.121 |
9 |
4 |
0 |
0.338 |
6 |
|
K |
94 |
27 |
6779 |
◊ |
H |
x,y,z |
1_555 |
91 |
25 |
6716 |
889.2 |
-14.0 |
0.110 |
10 |
4 |
0 |
0.338 |
Average: |
898.9 |
-14.0 |
0.114 |
10 |
4 |
0 |
0.338 |
2 |
7 |
|
C |
86 |
27 |
6709 |
◊ |
B |
x,y,z |
1_555 |
85 |
27 |
6700 |
802.9 |
-0.5 |
0.835 |
20 |
10 |
0 |
0.120 |
8 |
|
L |
87 |
27 |
6780 |
◊ |
G |
x,y,z |
1_555 |
84 |
27 |
6798 |
801.4 |
-0.5 |
0.796 |
20 |
10 |
0 |
0.120 |
9 |
|
E |
87 |
24 |
6790 |
◊ |
D |
x,y,z |
1_555 |
84 |
26 |
6774 |
793.0 |
-0.5 |
0.830 |
19 |
10 |
0 |
0.120 |
10 |
|
K |
84 |
25 |
6779 |
◊ |
J |
x,y,z |
1_555 |
88 |
26 |
6779 |
792.5 |
-0.7 |
0.819 |
20 |
10 |
0 |
0.120 |
11 |
|
F |
86 |
27 |
6802 |
◊ |
A |
x,y,z |
1_555 |
88 |
26 |
6707 |
792.2 |
-0.5 |
0.843 |
20 |
10 |
0 |
0.120 |
12 |
|
I |
83 |
26 |
6767 |
◊ |
H |
x,y,z |
1_555 |
86 |
26 |
6716 |
790.6 |
-0.5 |
0.839 |
20 |
10 |
0 |
0.120 |
Average: |
795.4 |
-0.5 |
0.827 |
20 |
10 |
0 |
0.120 |
3 |
13 |
|
F |
49 |
13 |
6802 |
◊ |
J |
x-1/2,-y+1/2,-z+1 |
4_456 |
49 |
13 |
6779 |
417.9 |
-3.9 |
0.497 |
0 |
0 |
0 |
0.000 |
4 |
14 |
|
B |
38 |
13 |
6700 |
◊ |
A |
x,y,z |
1_555 |
28 |
7 |
6707 |
330.9 |
-5.7 |
0.167 |
3 |
4 |
0 |
0.244 |
15 |
|
E |
28 |
7 |
6790 |
◊ |
C |
x,y,z |
1_555 |
36 |
12 |
6709 |
329.5 |
-5.8 |
0.150 |
3 |
4 |
0 |
0.244 |
16 |
|
L |
38 |
13 |
6780 |
◊ |
I |
x,y,z |
1_555 |
29 |
7 |
6767 |
328.9 |
-5.6 |
0.166 |
3 |
4 |
0 |
0.244 |
17 |
|
J |
28 |
7 |
6779 |
◊ |
G |
x,y,z |
1_555 |
39 |
13 |
6798 |
328.8 |
-5.5 |
0.176 |
3 |
4 |
0 |
0.244 |
18 |
|
K |
29 |
7 |
6779 |
◊ |
I |
x,y,z |
1_555 |
37 |
13 |
6767 |
328.0 |
-5.6 |
0.174 |
3 |
4 |
0 |
0.244 |
19 |
|
H |
36 |
12 |
6716 |
◊ |
G |
x,y,z |
1_555 |
28 |
7 |
6798 |
327.2 |
-5.5 |
0.168 |
3 |
4 |
0 |
0.244 |
20 |
|
F |
36 |
12 |
6802 |
◊ |
C |
x,y,z |
1_555 |
29 |
7 |
6709 |
326.9 |
-5.4 |
0.189 |
3 |
4 |
0 |
0.244 |
21 |
|
D |
38 |
12 |
6774 |
◊ |
B |
x,y,z |
1_555 |
29 |
7 |
6700 |
326.0 |
-5.6 |
0.175 |
3 |
4 |
0 |
0.244 |
22 |
|
F |
28 |
7 |
6802 |
◊ |
E |
x,y,z |
1_555 |
37 |
12 |
6790 |
325.3 |
-5.7 |
0.167 |
3 |
4 |
0 |
0.244 |
23 |
|
J |
37 |
13 |
6779 |
◊ |
H |
x,y,z |
1_555 |
27 |
7 |
6716 |
325.0 |
-5.5 |
0.176 |
3 |
4 |
0 |
0.244 |
24 |
|
D |
28 |
7 |
6774 |
◊ |
A |
x,y,z |
1_555 |
39 |
13 |
6707 |
323.3 |
-5.6 |
0.179 |
3 |
4 |
0 |
0.244 |
25 |
|
L |
29 |
7 |
6780 |
◊ |
K |
x,y,z |
1_555 |
38 |
12 |
6779 |
323.0 |
-5.5 |
0.174 |
3 |
4 |
0 |
0.244 |
Average: |
326.9 |
-5.6 |
0.172 |
3 |
4 |
0 |
0.244 |
5 |
26 |
|
G |
26 |
6 |
6798 |
◊ |
K |
x-1/2,-y+1/2,-z+1 |
4_456 |
33 |
8 |
6779 |
253.5 |
-3.3 |
0.333 |
1 |
1 |
0 |
0.000 |
27 |
|
A |
27 |
7 |
6707 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
28 |
6 |
6790 |
231.5 |
-0.2 |
0.705 |
1 |
2 |
0 |
0.000 |
Average: |
242.5 |
-1.7 |
0.519 |
1 |
2 |
0 |
0.000 |
6 |
28 |
|
A |
28 |
11 |
6707 |
◊ |
G |
-x+1/2,-y,z-1/2 |
2_554 |
27 |
7 |
6798 |
236.2 |
-0.5 |
0.637 |
2 |
0 |
0 |
0.000 |
7 |
29 |
|
C |
21 |
6 |
6709 |
◊ |
L |
x,y,z-1 |
1_554 |
27 |
8 |
6780 |
192.2 |
-2.7 |
0.391 |
0 |
0 |
0 |
0.000 |
8 |
30 |
|
E |
25 |
9 |
6790 |
◊ |
L |
-x+1/2,-y+1,z-1/2 |
2_564 |
24 |
8 |
6780 |
190.9 |
-0.3 |
0.689 |
3 |
1 |
0 |
0.000 |
9 |
31 |
|
I |
20 |
5 |
6767 |
◊ |
D |
x,y,z |
1_555 |
16 |
4 |
6774 |
182.4 |
0.7 |
0.766 |
1 |
0 |
0 |
0.000 |
10 |
32 |
|
H |
17 |
4 |
6716 |
◊ |
D |
x,y,z |
1_555 |
20 |
7 |
6774 |
159.8 |
-2.2 |
0.399 |
1 |
0 |
0 |
0.000 |
11 |
33 |
|
B |
12 |
6 |
6700 |
◊ |
L |
x,y,z-1 |
1_554 |
17 |
4 |
6780 |
146.6 |
2.1 |
0.869 |
3 |
0 |
0 |
0.000 |
12 |
34 |
|
F |
13 |
5 |
6802 |
◊ |
G |
-x+1/2,-y,z-1/2 |
2_554 |
19 |
8 |
6798 |
128.2 |
-1.4 |
0.308 |
0 |
0 |
0 |
0.000 |
13 |
35 |
|
I |
10 |
4 |
6767 |
◊ |
H |
x-1/2,-y+1/2,-z+1 |
4_456 |
16 |
4 |
6716 |
112.3 |
-1.5 |
0.443 |
0 |
0 |
0 |
0.000 |
14 |
36 |
|
C |
16 |
5 |
6709 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
15 |
5 |
6700 |
110.5 |
-1.5 |
0.471 |
0 |
0 |
0 |
0.000 |
15 |
37 |
|
G |
9 |
3 |
6798 |
◊ |
H |
x-1/2,-y+1/2,-z+1 |
4_456 |
14 |
10 |
6716 |
108.9 |
1.0 |
0.761 |
3 |
1 |
0 |
0.000 |
16 |
38 |
|
[SO4]F:9006 |
5 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
11 |
6 |
6802 |
105.8 |
-15.5 |
0.691 |
2 |
0 |
0 |
0.551 |
39 |
|
[SO4]A:9001 |
5 |
1 |
184 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
6707 |
102.8 |
-14.8 |
0.743 |
3 |
0 |
0 |
0.551 |
40 |
|
[SO4]D:9004 |
5 |
1 |
184 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
6774 |
102.7 |
-15.1 |
0.726 |
2 |
0 |
0 |
0.551 |
41 |
|
[SO4]I:9009 |
5 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
11 |
6 |
6767 |
101.3 |
-14.7 |
0.731 |
2 |
0 |
0 |
0.551 |
42 |
|
[SO4]E:9005 |
5 |
1 |
185 |
f |
E |
x,y,z |
1_555 |
11 |
6 |
6790 |
101.0 |
-14.9 |
0.720 |
2 |
0 |
0 |
0.551 |
43 |
|
[SO4]B:9002 |
5 |
1 |
185 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
6700 |
100.3 |
-14.7 |
0.725 |
3 |
0 |
0 |
0.551 |
Average: |
102.3 |
-15.0 |
0.723 |
2 |
0 |
0 |
0.551 |
17 |
44 |
|
[SO4]G:9007 |
5 |
1 |
184 |
f |
G |
x,y,z |
1_555 |
13 |
6 |
6798 |
101.9 |
-14.5 |
0.762 |
1 |
0 |
0 |
0.248 |
18 |
45 |
|
[SO4]C:9003 |
5 |
1 |
184 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
6709 |
101.8 |
-14.9 |
0.709 |
3 |
0 |
0 |
0.511 |
46 |
|
[SO4]J:9010 |
5 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
12 |
6 |
6779 |
101.1 |
-14.2 |
0.774 |
3 |
0 |
0 |
0.511 |
47 |
|
[SO4]K:9011 |
5 |
1 |
185 |
f |
K |
x,y,z |
1_555 |
11 |
6 |
6779 |
101.0 |
-14.9 |
0.716 |
3 |
0 |
0 |
0.511 |
48 |
|
[SO4]L:9012 |
5 |
1 |
185 |
f |
L |
x,y,z |
1_555 |
11 |
6 |
6780 |
100.6 |
-14.8 |
0.706 |
2 |
0 |
0 |
0.511 |
Average: |
101.1 |
-14.7 |
0.726 |
3 |
0 |
0 |
0.511 |
19 |
49 |
|
[SO4]H:9008 |
5 |
1 |
184 |
f |
H |
x,y,z |
1_555 |
11 |
6 |
6716 |
101.1 |
-14.9 |
0.726 |
3 |
0 |
0 |
0.282 |
20 |
50 |
|
A |
11 |
4 |
6707 |
◊ |
I |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
4 |
6767 |
98.9 |
0.2 |
0.686 |
0 |
0 |
0 |
0.000 |
21 |
51 |
|
D |
10 |
4 |
6774 |
◊ |
G |
-x+1/2,-y,z-1/2 |
2_554 |
13 |
5 |
6798 |
95.8 |
0.0 |
0.673 |
0 |
0 |
0 |
0.000 |
22 |
52 |
|
E |
11 |
4 |
6790 |
◊ |
K |
-x+1/2,-y+1,z-1/2 |
2_564 |
8 |
4 |
6779 |
86.6 |
0.1 |
0.684 |
1 |
1 |
0 |
0.000 |
23 |
53 |
|
F |
8 |
3 |
6802 |
◊ |
J |
-x+1/2,-y,z-1/2 |
2_554 |
7 |
3 |
6779 |
81.2 |
-0.2 |
0.616 |
0 |
0 |
0 |
0.000 |
24 |
54 |
|
A |
7 |
3 |
6707 |
◊ |
B |
x-1/2,-y+1/2,-z |
4_455 |
12 |
5 |
6700 |
73.9 |
0.8 |
0.801 |
1 |
0 |
0 |
0.000 |
55 |
|
C |
10 |
4 |
6709 |
◊ |
E |
x-1/2,-y+1/2,-z |
4_455 |
6 |
2 |
6790 |
64.8 |
1.2 |
0.823 |
1 |
0 |
0 |
0.000 |
Average: |
69.4 |
1.0 |
0.812 |
1 |
0 |
0 |
0.000 |
25 |
56 |
|
I |
7 |
2 |
6767 |
◊ |
K |
x-1/2,-y+1/2,-z+1 |
4_456 |
6 |
2 |
6779 |
51.5 |
1.1 |
0.830 |
1 |
0 |
0 |
0.000 |
26 |
57 |
|
E |
3 |
2 |
6790 |
◊ |
J |
-x+1/2,-y+1,z-1/2 |
2_564 |
4 |
2 |
6779 |
42.8 |
-0.1 |
0.430 |
0 |
0 |
0 |
0.000 |
27 |
58 |
|
[SO4]C:9014 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
4 |
2 |
6802 |
39.0 |
-4.2 |
0.873 |
1 |
0 |
0 |
0.137 |
59 |
|
[SO4]L:9016 |
4 |
1 |
184 |
f |
I |
x,y,z |
1_555 |
4 |
2 |
6767 |
38.7 |
-4.1 |
0.875 |
1 |
0 |
0 |
0.137 |
60 |
|
[SO4]A:9013 |
4 |
1 |
185 |
f |
D |
x,y,z |
1_555 |
3 |
2 |
6774 |
36.0 |
-3.7 |
0.891 |
2 |
0 |
0 |
0.137 |
Average: |
37.9 |
-4.0 |
0.880 |
1 |
0 |
0 |
0.137 |
28 |
61 |
|
[SO4]H:9015 |
4 |
1 |
185 |
f |
J |
x,y,z |
1_555 |
4 |
2 |
6779 |
38.1 |
-4.1 |
0.880 |
2 |
0 |
0 |
0.081 |
29 |
62 |
|
[SO4]H:9015 |
4 |
1 |
185 |
◊ |
G |
x,y,z |
1_555 |
4 |
2 |
6798 |
37.8 |
-3.9 |
0.859 |
1 |
0 |
0 |
0.050 |
63 |
|
[SO4]A:9013 |
4 |
1 |
185 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
6707 |
37.6 |
-3.9 |
0.871 |
2 |
0 |
0 |
0.050 |
Average: |
37.7 |
-3.9 |
0.865 |
2 |
0 |
0 |
0.050 |
30 |
64 |
|
[SO4]L:9016 |
4 |
1 |
184 |
◊ |
L |
x,y,z |
1_555 |
3 |
2 |
6780 |
37.4 |
-3.9 |
0.877 |
1 |
0 |
0 |
0.047 |
31 |
65 |
|
[SO4]C:9014 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
3 |
2 |
6709 |
37.3 |
-3.8 |
0.882 |
2 |
0 |
0 |
0.049 |
66 |
|
[SO4]H:9015 |
4 |
1 |
185 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
6716 |
37.1 |
-3.7 |
0.887 |
1 |
0 |
0 |
0.049 |
Average: |
37.2 |
-3.7 |
0.884 |
2 |
0 |
0 |
0.049 |
32 |
67 |
|
[SO4]A:9013 |
4 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
4 |
2 |
6700 |
37.2 |
-3.8 |
0.868 |
1 |
0 |
0 |
0.045 |
33 |
68 |
|
[SO4]C:9014 |
4 |
1 |
184 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
6790 |
36.7 |
-3.8 |
0.875 |
1 |
0 |
0 |
0.045 |
34 |
69 |
|
[SO4]L:9016 |
4 |
1 |
184 |
◊ |
K |
x,y,z |
1_555 |
3 |
2 |
6779 |
35.6 |
-3.7 |
0.880 |
1 |
0 |
0 |
0.044 |
35 |
70 |
|
B |
3 |
1 |
6700 |
◊ |
K |
-x+1/2,-y+1,z-1/2 |
2_564 |
3 |
1 |
6779 |
31.2 |
0.7 |
0.840 |
0 |
0 |
0 |
0.000 |
36 |
71 |
|
[NI]D:118 |
1 |
1 |
115 |
f |
F |
x,y,z |
1_555 |
8 |
4 |
6802 |
27.8 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.110 |
72 |
|
[NI]B:118 |
1 |
1 |
115 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
6790 |
27.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.110 |
73 |
|
[NI]C:118 |
1 |
1 |
115 |
f |
A |
x,y,z |
1_555 |
8 |
4 |
6707 |
27.3 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.110 |
74 |
|
[NI]F:118 |
1 |
1 |
115 |
f |
D |
x,y,z |
1_555 |
8 |
4 |
6774 |
27.2 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.110 |
75 |
|
[NI]E:118 |
1 |
1 |
115 |
f |
B |
x,y,z |
1_555 |
8 |
4 |
6700 |
27.0 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.110 |
76 |
|
[NI]H:118 |
1 |
1 |
115 |
f |
K |
x,y,z |
1_555 |
8 |
4 |
6779 |
26.9 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.110 |
77 |
|
[NI]J:118 |
1 |
1 |
115 |
f |
L |
x,y,z |
1_555 |
8 |
4 |
6780 |
26.9 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.110 |
78 |
|
[NI]L:118 |
1 |
1 |
115 |
f |
J |
x,y,z |
1_555 |
8 |
4 |
6779 |
26.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.110 |
79 |
|
[NI]A:118 |
1 |
1 |
115 |
f |
C |
x,y,z |
1_555 |
8 |
4 |
6709 |
26.6 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.110 |
80 |
|
[NI]G:118 |
1 |
1 |
115 |
f |
I |
x,y,z |
1_555 |
8 |
4 |
6767 |
26.4 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.110 |
81 |
|
[NI]K:118 |
1 |
1 |
115 |
f |
H |
x,y,z |
1_555 |
8 |
4 |
6716 |
26.0 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.110 |
82 |
|
[NI]I:118 |
1 |
1 |
115 |
f |
G |
x,y,z |
1_555 |
9 |
4 |
6798 |
25.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.110 |
Average: |
26.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.110 |
37 |
83 |
|
[SO4]F:9006 |
3 |
1 |
184 |
◊ |
G |
-x+1/2,-y,z-1/2 |
2_554 |
4 |
2 |
6798 |
23.5 |
-3.0 |
0.830 |
0 |
0 |
0 |
0.000 |
38 |
84 |
|
[SO4]G:9007 |
1 |
1 |
184 |
◊ |
I |
x,y,z |
1_555 |
1 |
1 |
6767 |
2.2 |
-0.3 |
0.694 |
0 |
0 |
0 |
0.005 |
39 |
85 |
|
[SO4]E:9005 |
1 |
1 |
185 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
6700 |
0.2 |
-0.0 |
0.793 |
0 |
0 |
0 |
0.000 |
|