| ## |
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 |
|
H |
132 |
40 |
7992 |
◊ |
G |
x,y,z |
1_555 |
134 |
40 |
8045 |
1365.8 |
-18.0 |
0.186 |
18 |
8 |
0 |
0.575 |
2 |
|
B |
133 |
40 |
7874 |
◊ |
A |
x,y,z |
1_555 |
134 |
39 |
7735 |
1333.7 |
-17.7 |
0.178 |
18 |
8 |
0 |
0.575 |
3 |
|
F |
131 |
39 |
7870 |
◊ |
E |
x,y,z |
1_555 |
133 |
40 |
7881 |
1324.6 |
-17.3 |
0.178 |
19 |
9 |
0 |
0.575 |
4 |
|
I |
136 |
39 |
7658 |
◊ |
C |
x,y,z |
1_555 |
132 |
39 |
8318 |
1301.4 |
-17.5 |
0.185 |
17 |
9 |
0 |
0.575 |
5 |
|
J |
133 |
39 |
7652 |
◊ |
D |
x,y,z |
1_555 |
134 |
39 |
8055 |
1297.1 |
-17.5 |
0.184 |
17 |
8 |
0 |
0.575 |
6 |
|
L |
131 |
39 |
8118 |
◊ |
K |
x,y,z |
1_555 |
132 |
38 |
8060 |
1296.1 |
-17.0 |
0.218 |
17 |
7 |
0 |
0.575 |
| Average: |
1319.8 |
-17.5 |
0.188 |
18 |
8 |
0 |
0.575 |
| 2 |
7 |
|
E |
88 |
20 |
7881 |
◊ |
C |
x,y,z |
1_555 |
64 |
18 |
8318 |
675.4 |
-4.8 |
0.525 |
7 |
8 |
0 |
0.490 |
8 |
|
I |
92 |
24 |
7658 |
◊ |
G |
x,y,z |
1_555 |
59 |
17 |
8045 |
656.8 |
-4.2 |
0.543 |
7 |
7 |
0 |
0.490 |
9 |
|
J |
76 |
21 |
7652 |
◊ |
H |
x,y,z |
1_555 |
54 |
16 |
7992 |
589.1 |
-4.4 |
0.484 |
3 |
7 |
0 |
0.490 |
10 |
|
D |
69 |
17 |
8055 |
◊ |
B |
x,y,z |
1_555 |
55 |
16 |
7874 |
559.1 |
-2.7 |
0.597 |
5 |
7 |
0 |
0.490 |
11 |
|
L |
74 |
18 |
8118 |
◊ |
D |
x,y,z |
1_555 |
54 |
15 |
8055 |
556.9 |
-2.9 |
0.600 |
3 |
7 |
0 |
0.490 |
12 |
|
K |
48 |
15 |
8060 |
◊ |
G |
x,y,z |
1_555 |
67 |
17 |
8045 |
522.6 |
-2.8 |
0.608 |
3 |
6 |
0 |
0.490 |
13 |
|
H |
68 |
17 |
7992 |
◊ |
F |
x,y,z |
1_555 |
49 |
14 |
7870 |
520.4 |
-2.2 |
0.609 |
4 |
6 |
0 |
0.490 |
14 |
|
E |
49 |
15 |
7881 |
◊ |
A |
x,y,z |
1_555 |
63 |
17 |
7735 |
491.1 |
-2.7 |
0.621 |
3 |
6 |
0 |
0.490 |
15 |
|
L |
46 |
15 |
8118 |
◊ |
B |
x,y,z |
1_555 |
65 |
18 |
7874 |
491.0 |
-2.5 |
0.637 |
4 |
7 |
0 |
0.490 |
16 |
|
K |
61 |
15 |
8060 |
◊ |
I |
x,y,z |
1_555 |
45 |
12 |
7658 |
459.3 |
-1.9 |
0.665 |
7 |
7 |
0 |
0.490 |
17 |
|
J |
41 |
12 |
7652 |
◊ |
F |
x,y,z |
1_555 |
60 |
15 |
7870 |
455.4 |
-1.5 |
0.663 |
3 |
7 |
0 |
0.490 |
18 |
|
C |
54 |
14 |
8318 |
◊ |
A |
x,y,z |
1_555 |
42 |
12 |
7735 |
439.3 |
-1.3 |
0.709 |
3 |
7 |
0 |
0.490 |
| Average: |
534.7 |
-2.8 |
0.605 |
4 |
7 |
0 |
0.490 |
| 3 |
19 |
|
H |
54 |
19 |
7992 |
◊ |
G |
-x+1,y-1/2,-z+1 |
2_646 |
53 |
20 |
8045 |
478.4 |
-3.2 |
0.645 |
3 |
2 |
0 |
0.022 |
| 4 |
20 |
|
L |
53 |
17 |
8118 |
◊ |
F |
x-1,y,z |
1_455 |
51 |
16 |
7870 |
450.8 |
-5.8 |
0.386 |
2 |
0 |
0 |
0.067 |
| 5 |
21 |
|
B |
52 |
18 |
7874 |
◊ |
A |
-x,y-1/2,-z |
2_545 |
49 |
15 |
7735 |
441.3 |
-5.8 |
0.375 |
1 |
0 |
0 |
0.039 |
| 6 |
22 |
|
J |
48 |
10 |
7652 |
◊ |
G |
x,y,z |
1_555 |
44 |
11 |
8045 |
433.4 |
-5.2 |
0.374 |
4 |
0 |
0 |
0.187 |
23 |
|
K |
46 |
12 |
8060 |
◊ |
B |
x,y,z |
1_555 |
46 |
11 |
7874 |
430.8 |
-6.6 |
0.235 |
3 |
0 |
0 |
0.187 |
24 |
|
L |
45 |
11 |
8118 |
◊ |
G |
x,y,z |
1_555 |
48 |
11 |
8045 |
429.1 |
-5.7 |
0.344 |
2 |
0 |
0 |
0.187 |
25 |
|
K |
47 |
11 |
8060 |
◊ |
C |
x,y,z |
1_555 |
46 |
11 |
8318 |
424.9 |
-5.5 |
0.380 |
4 |
0 |
0 |
0.187 |
26 |
|
L |
46 |
11 |
8118 |
◊ |
J |
x,y,z |
1_555 |
44 |
11 |
7652 |
421.8 |
-5.5 |
0.337 |
3 |
0 |
0 |
0.187 |
27 |
|
C |
48 |
11 |
8318 |
◊ |
B |
x,y,z |
1_555 |
45 |
11 |
7874 |
420.5 |
-5.7 |
0.356 |
4 |
0 |
0 |
0.187 |
28 |
|
H |
49 |
11 |
7992 |
◊ |
E |
x,y,z |
1_555 |
42 |
10 |
7881 |
419.8 |
-5.8 |
0.329 |
4 |
0 |
0 |
0.187 |
29 |
|
F |
44 |
11 |
7870 |
◊ |
A |
x,y,z |
1_555 |
48 |
11 |
7735 |
419.2 |
-6.7 |
0.214 |
2 |
0 |
0 |
0.187 |
30 |
|
I |
46 |
12 |
7658 |
◊ |
E |
x,y,z |
1_555 |
49 |
11 |
7881 |
418.8 |
-5.7 |
0.334 |
2 |
0 |
0 |
0.187 |
31 |
|
F |
48 |
11 |
7870 |
◊ |
D |
x,y,z |
1_555 |
43 |
11 |
8055 |
418.0 |
-5.4 |
0.367 |
2 |
0 |
0 |
0.187 |
32 |
|
I |
49 |
11 |
7658 |
◊ |
H |
x,y,z |
1_555 |
45 |
12 |
7992 |
415.3 |
-5.5 |
0.341 |
2 |
0 |
0 |
0.187 |
33 |
|
D |
47 |
12 |
8055 |
◊ |
A |
x,y,z |
1_555 |
46 |
11 |
7735 |
412.8 |
-5.4 |
0.367 |
3 |
0 |
0 |
0.187 |
| Average: |
422.0 |
-5.7 |
0.332 |
3 |
0 |
0 |
0.187 |
| 7 |
34 |
|
[OFE]E:1159 |
2 |
1 |
167 |
◊ |
F |
x,y,z |
1_555 |
9 |
5 |
7870 |
69.2 |
-5.1 |
0.759 |
0 |
0 |
0 |
0.107 |
| 8 |
35 |
|
L |
6 |
4 |
8118 |
◊ |
E |
x-1,y,z |
1_455 |
8 |
3 |
7881 |
68.2 |
-1.7 |
0.237 |
0 |
0 |
0 |
0.000 |
| 9 |
36 |
|
[OFE]L:1159 |
2 |
1 |
167 |
◊ |
K |
x,y,z |
1_555 |
8 |
5 |
8060 |
67.6 |
-4.9 |
0.743 |
0 |
0 |
0 |
0.105 |
| 10 |
37 |
|
[OFE]K:1159 |
2 |
1 |
166 |
◊ |
L |
x,y,z |
1_555 |
8 |
5 |
8118 |
67.5 |
-5.3 |
0.754 |
0 |
0 |
0 |
0.112 |
| 11 |
38 |
|
[OFE]H:1159 |
2 |
1 |
167 |
◊ |
C |
x,y,z |
1_555 |
9 |
5 |
8318 |
66.7 |
-4.9 |
0.760 |
0 |
0 |
0 |
0.106 |
| 12 |
39 |
|
[OFE]A:1159 |
2 |
1 |
167 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
7874 |
66.6 |
-4.9 |
0.742 |
0 |
0 |
0 |
0.102 |
| 13 |
40 |
|
[OFE]C:1159 |
2 |
1 |
162 |
◊ |
I |
x,y,z |
1_555 |
8 |
5 |
7658 |
65.5 |
-4.8 |
0.740 |
0 |
0 |
0 |
0.103 |
| 14 |
41 |
|
[OFE]D:1159 |
2 |
1 |
164 |
◊ |
J |
x,y,z |
1_555 |
8 |
5 |
7652 |
65.0 |
-4.9 |
0.740 |
0 |
0 |
0 |
0.106 |
| 15 |
42 |
|
[OFE]J:1159 |
2 |
1 |
160 |
◊ |
D |
x,y,z |
1_555 |
8 |
5 |
8055 |
64.6 |
-4.9 |
0.739 |
0 |
0 |
0 |
0.106 |
| 16 |
43 |
|
[OFE]G:1159 |
2 |
1 |
162 |
◊ |
H |
x,y,z |
1_555 |
8 |
5 |
7992 |
64.3 |
-5.1 |
0.750 |
0 |
0 |
0 |
0.101 |
| 17 |
44 |
|
[OFE]B:1159 |
2 |
1 |
163 |
◊ |
A |
x,y,z |
1_555 |
8 |
5 |
7735 |
64.0 |
-4.8 |
0.735 |
0 |
0 |
0 |
0.101 |
| 18 |
45 |
|
A |
7 |
3 |
7735 |
x |
A |
-x,y-1/2,-z |
2_545 |
5 |
3 |
7735 |
60.9 |
-1.5 |
0.227 |
0 |
0 |
0 |
0.000 |
| 19 |
46 |
|
[OFE]F:1159 |
2 |
1 |
167 |
f |
E |
x,y,z |
1_555 |
9 |
5 |
7881 |
57.7 |
-5.2 |
0.753 |
0 |
0 |
0 |
0.110 |
| 20 |
47 |
|
[OFE]H:1159 |
2 |
1 |
167 |
f |
I |
x,y,z |
1_555 |
7 |
2 |
7658 |
57.3 |
-4.9 |
0.786 |
0 |
0 |
0 |
0.108 |
| 21 |
48 |
|
[OFE]K:1159 |
2 |
1 |
166 |
f |
K |
x,y,z |
1_555 |
6 |
2 |
8060 |
56.4 |
-5.6 |
0.797 |
0 |
0 |
0 |
0.120 |
| 22 |
49 |
|
[OFE]A:1159 |
2 |
1 |
167 |
f |
A |
x,y,z |
1_555 |
6 |
2 |
7735 |
55.3 |
-5.4 |
0.798 |
0 |
0 |
0 |
0.114 |
| 23 |
50 |
|
[OFE]B:1159 |
2 |
1 |
163 |
f |
B |
x,y,z |
1_555 |
5 |
2 |
7874 |
55.0 |
-5.6 |
0.802 |
0 |
0 |
0 |
0.117 |
| 24 |
51 |
|
[OFE]G:1159 |
2 |
1 |
162 |
f |
G |
x,y,z |
1_555 |
6 |
2 |
8045 |
54.5 |
-5.4 |
0.792 |
0 |
0 |
0 |
0.107 |
| 25 |
52 |
|
[OFE]D:1159 |
2 |
1 |
164 |
f |
D |
x,y,z |
1_555 |
6 |
2 |
8055 |
54.4 |
-5.5 |
0.795 |
0 |
0 |
0 |
0.118 |
| 26 |
53 |
|
[OFE]C:1159 |
2 |
1 |
162 |
f |
C |
x,y,z |
1_555 |
6 |
2 |
8318 |
54.2 |
-5.0 |
0.798 |
0 |
0 |
0 |
0.108 |
| 27 |
54 |
|
[OFE]E:1159 |
2 |
1 |
167 |
f |
E |
x,y,z |
1_555 |
7 |
2 |
7881 |
54.0 |
-5.5 |
0.792 |
0 |
0 |
0 |
0.116 |
| 28 |
55 |
|
[OFE]L:1159 |
2 |
1 |
167 |
f |
L |
x,y,z |
1_555 |
6 |
2 |
8118 |
53.8 |
-5.6 |
0.800 |
0 |
0 |
0 |
0.120 |
| 29 |
56 |
|
[OFE]J:1159 |
2 |
1 |
160 |
f |
J |
x,y,z |
1_555 |
7 |
2 |
7652 |
53.4 |
-5.0 |
0.782 |
0 |
0 |
0 |
0.156 |
| 30 |
57 |
|
[OFE]F:1159 |
2 |
1 |
167 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
7870 |
52.7 |
-4.7 |
0.807 |
0 |
0 |
0 |
0.099 |
| 31 |
58 |
|
[FE]I:1159 |
1 |
1 |
137 |
f |
G |
x,y,z |
1_555 |
8 |
5 |
8045 |
51.2 |
-6.7 |
0.000 |
0 |
0 |
0 |
0.135 |
| 32 |
59 |
|
[FE]I:1159 |
1 |
1 |
137 |
◊ |
H |
x,y,z |
1_555 |
6 |
2 |
7992 |
48.2 |
-5.6 |
0.000 |
0 |
0 |
0 |
0.112 |
| 33 |
60 |
|
[FE]B:1160 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
8 |
4 |
7874 |
40.6 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.199 |
61 |
|
[FE]B:1160 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
7 |
4 |
8118 |
39.2 |
-4.0 |
0.000 |
0 |
0 |
0 |
0.199 |
62 |
|
[FE]B:1160 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
8055 |
37.4 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.199 |
| Average: |
39.1 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.199 |
| 34 |
63 |
|
[FE]D:1160 |
1 |
1 |
137 |
◊ |
K |
x,y,z |
1_555 |
7 |
3 |
8060 |
36.2 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.319 |
64 |
|
[FE]J:1160 |
1 |
1 |
137 |
◊ |
F |
x,y,z |
1_555 |
6 |
2 |
7870 |
35.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.319 |
65 |
|
[FE]L:1160 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
6 |
2 |
8118 |
33.2 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.319 |
66 |
|
[FE]L:1160 |
1 |
1 |
137 |
◊ |
B |
x,y,z |
1_555 |
6 |
2 |
7874 |
33.0 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.319 |
67 |
|
[FE]C:1160 |
1 |
1 |
137 |
◊ |
A |
x,y,z |
1_555 |
5 |
2 |
7735 |
32.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.319 |
68 |
|
[FE]C:1160 |
1 |
1 |
137 |
◊ |
E |
x,y,z |
1_555 |
6 |
2 |
7881 |
32.5 |
-3.2 |
0.000 |
0 |
0 |
0 |
0.319 |
69 |
|
[FE]J:1160 |
1 |
1 |
137 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
7992 |
32.4 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.319 |
70 |
|
[FE]J:1160 |
1 |
1 |
137 |
◊ |
J |
x,y,z |
1_555 |
6 |
2 |
7652 |
32.0 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.319 |
71 |
|
[FE]D:1160 |
1 |
1 |
137 |
◊ |
G |
x,y,z |
1_555 |
6 |
2 |
8045 |
31.7 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.319 |
72 |
|
[FE]L:1160 |
1 |
1 |
137 |
◊ |
D |
x,y,z |
1_555 |
6 |
2 |
8055 |
30.8 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.319 |
73 |
|
[FE]C:1160 |
1 |
1 |
137 |
◊ |
C |
x,y,z |
1_555 |
6 |
2 |
8318 |
30.7 |
-3.1 |
0.000 |
0 |
0 |
0 |
0.319 |
74 |
|
[FE]D:1160 |
1 |
1 |
137 |
◊ |
I |
x,y,z |
1_555 |
5 |
2 |
7658 |
29.5 |
-3.0 |
0.000 |
0 |
0 |
0 |
0.319 |
| Average: |
32.5 |
-3.3 |
0.000 |
0 |
0 |
0 |
0.319 |
| 35 |
75 |
|
J |
6 |
2 |
7652 |
◊ |
I |
x,y-1,z |
1_545 |
5 |
2 |
7658 |
31.8 |
-0.2 |
0.602 |
0 |
0 |
0 |
0.000 |
| 36 |
76 |
|
[OFE]F:1159 |
2 |
1 |
167 |
◊ |
H |
x,y,z |
1_555 |
6 |
3 |
7992 |
28.1 |
-0.4 |
0.726 |
0 |
0 |
0 |
0.000 |
| 37 |
77 |
|
D |
3 |
2 |
8055 |
◊ |
K |
-x,y-1/2,-z+1 |
2_546 |
6 |
2 |
8060 |
26.9 |
-0.4 |
0.422 |
0 |
0 |
0 |
0.002 |
| 38 |
78 |
|
J |
5 |
2 |
7652 |
◊ |
C |
x,y-1,z |
1_545 |
4 |
2 |
8318 |
22.6 |
0.1 |
0.682 |
0 |
0 |
0 |
0.000 |
| 39 |
79 |
|
[FE]L:1160 |
1 |
1 |
137 |
f |
[FE]B:1160 |
x,y,z |
1_555 |
1 |
1 |
137 |
17.5 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.100 |
| 40 |
80 |
|
D |
2 |
1 |
8055 |
◊ |
B |
-x,y-1/2,-z |
2_545 |
1 |
1 |
7874 |
16.5 |
0.0 |
0.384 |
0 |
0 |
0 |
0.000 |
| 41 |
81 |
|
[OFE]A:1159 |
1 |
1 |
167 |
◊ |
C |
x,y,z |
1_555 |
5 |
3 |
8318 |
13.0 |
-1.4 |
0.763 |
0 |
0 |
0 |
0.027 |
| 42 |
82 |
|
[OFE]G:1159 |
1 |
1 |
162 |
◊ |
I |
x,y,z |
1_555 |
4 |
3 |
7658 |
11.4 |
-0.9 |
0.870 |
0 |
0 |
0 |
0.017 |
| 43 |
83 |
|
[OFE]H:1159 |
1 |
1 |
167 |
◊ |
K |
x,y,z |
1_555 |
4 |
3 |
8060 |
11.3 |
-1.1 |
0.825 |
0 |
0 |
0 |
0.020 |
| 44 |
84 |
|
[OFE]L:1159 |
1 |
1 |
167 |
◊ |
B |
x,y,z |
1_555 |
5 |
3 |
7874 |
11.1 |
-1.1 |
0.800 |
0 |
0 |
0 |
0.018 |
| 45 |
85 |
|
[OFE]D:1159 |
1 |
1 |
164 |
◊ |
L |
x,y,z |
1_555 |
4 |
3 |
8118 |
10.7 |
-0.9 |
0.850 |
0 |
0 |
0 |
0.015 |
| 46 |
86 |
|
[OFE]J:1159 |
1 |
1 |
160 |
◊ |
F |
x,y,z |
1_555 |
5 |
3 |
7870 |
10.4 |
-1.1 |
0.773 |
0 |
0 |
0 |
0.035 |
| 47 |
87 |
|
[OFE]B:1159 |
1 |
1 |
163 |
◊ |
D |
x,y,z |
1_555 |
3 |
2 |
8055 |
10.2 |
-0.9 |
0.873 |
0 |
0 |
0 |
0.014 |
| 48 |
88 |
|
[FE]I:1159 |
1 |
1 |
137 |
◊ |
J |
x,y,z |
1_555 |
5 |
3 |
7652 |
9.4 |
-1.0 |
0.000 |
0 |
0 |
0 |
0.002 |
| 49 |
89 |
|
[OFE]C:1159 |
1 |
1 |
162 |
◊ |
E |
x,y,z |
1_555 |
4 |
3 |
7881 |
9.3 |
-0.9 |
0.817 |
0 |
0 |
0 |
0.017 |
| 50 |
90 |
|
[OFE]E:1159 |
1 |
1 |
167 |
◊ |
A |
x,y,z |
1_555 |
3 |
2 |
7735 |
8.4 |
-1.0 |
0.703 |
0 |
0 |
0 |
0.019 |
| 51 |
91 |
|
[OFE]K:1159 |
1 |
1 |
166 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
8045 |
6.2 |
-0.8 |
0.734 |
0 |
0 |
0 |
0.014 |
|