| ## |
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 |
219 |
56 |
10976 |
◊ |
G |
x,y,z |
1_555 |
228 |
59 |
10971 |
2089.1 |
-19.9 |
0.176 |
22 |
1 |
0 |
1.000 |
2 |
|
B |
232 |
58 |
11049 |
◊ |
A |
x,y,z |
1_555 |
236 |
59 |
11089 |
2054.9 |
-16.7 |
0.242 |
24 |
0 |
0 |
1.000 |
3 |
|
I |
219 |
56 |
11034 |
◊ |
I |
-x,y,-z+1 |
2_556 |
216 |
56 |
11034 |
2049.0 |
-23.3 |
0.073 |
22 |
2 |
0 |
1.000 |
4 |
|
F |
222 |
54 |
10787 |
◊ |
E |
x,y,z |
1_555 |
228 |
58 |
10912 |
2028.1 |
-20.0 |
0.154 |
17 |
1 |
0 |
1.000 |
5 |
|
D |
235 |
61 |
11121 |
◊ |
C |
x,y,z |
1_555 |
231 |
60 |
11279 |
2026.8 |
-16.3 |
0.352 |
19 |
1 |
0 |
1.000 |
| Average: |
2049.5 |
-19.2 |
0.199 |
21 |
1 |
0 |
1.000 |
| 2 |
6 |
|
F |
97 |
33 |
10787 |
◊ |
A |
x,y,z |
1_555 |
98 |
33 |
11089 |
987.6 |
-23.5 |
0.000 |
3 |
1 |
0 |
1.000 |
7 |
|
I |
96 |
33 |
11034 |
◊ |
H |
x,y,z |
1_555 |
98 |
33 |
10976 |
985.5 |
-23.3 |
0.000 |
2 |
0 |
0 |
1.000 |
8 |
|
E |
100 |
32 |
10912 |
◊ |
D |
x,y,z |
1_555 |
100 |
32 |
11121 |
982.8 |
-23.2 |
0.001 |
4 |
2 |
0 |
1.000 |
9 |
|
C |
99 |
33 |
11279 |
◊ |
B |
x,y,z |
1_555 |
99 |
33 |
11049 |
982.1 |
-23.6 |
0.001 |
2 |
0 |
0 |
1.000 |
10 |
|
G |
96 |
32 |
10971 |
◊ |
G |
-x,y,-z+1 |
2_556 |
97 |
32 |
10971 |
952.8 |
-22.2 |
0.001 |
2 |
2 |
0 |
1.000 |
| Average: |
978.2 |
-23.1 |
0.001 |
3 |
1 |
0 |
1.000 |
| 3 |
11 |
|
E |
56 |
17 |
10912 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
39 |
12 |
11049 |
368.4 |
0.3 |
0.644 |
1 |
0 |
0 |
0.000 |
12 |
|
H |
33 |
10 |
10976 |
◊ |
B |
x,y,z |
1_555 |
43 |
13 |
11049 |
303.4 |
-2.4 |
0.453 |
5 |
0 |
0 |
0.000 |
13 |
|
E |
34 |
10 |
10912 |
◊ |
H |
-x+1/2,y-1/2,-z+1 |
4_546 |
38 |
13 |
10976 |
290.9 |
0.5 |
0.718 |
4 |
4 |
0 |
0.000 |
| Average: |
320.9 |
-0.6 |
0.605 |
3 |
1 |
0 |
0.000 |
| 4 |
14 |
|
F |
27 |
8 |
10787 |
◊ |
D |
x-1/2,y-1/2,z |
3_445 |
28 |
9 |
11121 |
248.3 |
-0.3 |
0.551 |
1 |
0 |
0 |
0.000 |
| 5 |
15 |
|
H |
15 |
3 |
10976 |
◊ |
G |
-x,y,-z+1 |
2_556 |
21 |
8 |
10971 |
191.6 |
2.0 |
0.685 |
4 |
4 |
0 |
0.035 |
16 |
|
E |
17 |
3 |
10912 |
◊ |
A |
x,y,z |
1_555 |
16 |
8 |
11089 |
185.4 |
2.3 |
0.706 |
6 |
4 |
0 |
0.035 |
17 |
|
I |
19 |
8 |
11034 |
◊ |
G |
x,y,z |
1_555 |
17 |
4 |
10971 |
181.9 |
1.8 |
0.688 |
5 |
4 |
0 |
0.035 |
18 |
|
C |
21 |
8 |
11279 |
◊ |
A |
x,y,z |
1_555 |
14 |
3 |
11089 |
181.6 |
1.6 |
0.756 |
6 |
2 |
0 |
0.035 |
19 |
|
E |
16 |
7 |
10912 |
◊ |
C |
x,y,z |
1_555 |
16 |
3 |
11279 |
181.1 |
1.9 |
0.675 |
5 |
4 |
0 |
0.035 |
20 |
|
I |
15 |
3 |
11034 |
◊ |
H |
-x,y,-z+1 |
2_556 |
19 |
8 |
10976 |
178.7 |
1.5 |
0.698 |
5 |
4 |
0 |
0.035 |
21 |
|
F |
18 |
8 |
10787 |
◊ |
B |
x,y,z |
1_555 |
16 |
3 |
11049 |
175.9 |
1.6 |
0.714 |
4 |
4 |
0 |
0.035 |
22 |
|
D |
16 |
3 |
11121 |
◊ |
B |
x,y,z |
1_555 |
19 |
8 |
11049 |
174.7 |
1.9 |
0.715 |
5 |
4 |
0 |
0.035 |
23 |
|
F |
14 |
3 |
10787 |
◊ |
D |
x,y,z |
1_555 |
18 |
8 |
11121 |
171.2 |
1.5 |
0.713 |
5 |
4 |
0 |
0.035 |
| Average: |
180.2 |
1.8 |
0.706 |
5 |
4 |
0 |
0.035 |
| 6 |
24 |
|
A |
24 |
7 |
11089 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
17 |
7 |
11279 |
170.2 |
0.5 |
0.593 |
3 |
0 |
0 |
0.000 |
| 7 |
25 |
|
[URF]G:1301 |
9 |
1 |
253 |
f |
G |
x,y,z |
1_555 |
23 |
13 |
10971 |
160.2 |
4.0 |
0.622 |
3 |
0 |
0 |
0.000 |
| 8 |
26 |
|
[URF]H:1301 |
9 |
1 |
253 |
f |
H |
x,y,z |
1_555 |
24 |
13 |
10976 |
159.8 |
4.2 |
0.627 |
3 |
0 |
0 |
0.000 |
27 |
|
[URF]D:1301 |
9 |
1 |
251 |
f |
D |
x,y,z |
1_555 |
28 |
13 |
11121 |
158.8 |
4.2 |
0.635 |
3 |
0 |
0 |
0.000 |
28 |
|
[URF]A:1301 |
9 |
1 |
253 |
f |
A |
x,y,z |
1_555 |
27 |
13 |
11089 |
145.1 |
4.1 |
0.638 |
3 |
0 |
0 |
0.000 |
29 |
|
[URF]F:1301 |
9 |
1 |
251 |
f |
F |
x,y,z |
1_555 |
29 |
13 |
10787 |
141.5 |
3.8 |
0.630 |
4 |
0 |
0 |
0.000 |
30 |
|
[URF]C:1301 |
9 |
1 |
251 |
f |
C |
x,y,z |
1_555 |
26 |
13 |
11279 |
140.7 |
4.1 |
0.640 |
3 |
0 |
0 |
0.000 |
31 |
|
[URF]B:1301 |
9 |
1 |
252 |
f |
B |
x,y,z |
1_555 |
22 |
13 |
11049 |
139.4 |
4.0 |
0.639 |
3 |
0 |
0 |
0.000 |
32 |
|
[URF]E:1301 |
9 |
1 |
250 |
f |
E |
x,y,z |
1_555 |
26 |
13 |
10912 |
138.5 |
4.0 |
0.615 |
3 |
0 |
0 |
0.000 |
| Average: |
146.3 |
4.1 |
0.632 |
3 |
0 |
0 |
0.000 |
| 9 |
33 |
|
H |
19 |
7 |
10976 |
◊ |
G |
-x+1/2,y-1/2,-z+1 |
4_546 |
12 |
5 |
10971 |
149.4 |
2.8 |
0.865 |
4 |
0 |
0 |
0.000 |
34 |
|
A |
16 |
7 |
11089 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
15 |
6 |
10912 |
140.9 |
1.6 |
0.731 |
3 |
0 |
0 |
0.000 |
| Average: |
145.1 |
2.2 |
0.798 |
4 |
0 |
0 |
0.000 |
| 10 |
35 |
|
G |
15 |
6 |
10971 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
18 |
6 |
11121 |
134.2 |
-0.5 |
0.584 |
1 |
0 |
0 |
0.000 |
| 11 |
36 |
|
I |
19 |
6 |
11034 |
◊ |
F |
x,y,z |
1_555 |
17 |
5 |
10787 |
131.9 |
0.2 |
0.662 |
1 |
0 |
0 |
0.000 |
| 12 |
37 |
|
I |
16 |
6 |
11034 |
◊ |
G |
x,y-1,z |
1_545 |
14 |
4 |
10971 |
120.8 |
-0.2 |
0.575 |
0 |
0 |
0 |
0.000 |
| 13 |
38 |
|
A |
12 |
3 |
11089 |
◊ |
C |
-x+1/2,y-1/2,-z |
4_545 |
19 |
6 |
11279 |
120.6 |
0.6 |
0.738 |
2 |
0 |
0 |
0.000 |
| 14 |
39 |
|
[GOL]F:1302 |
6 |
1 |
220 |
f |
F |
x,y,z |
1_555 |
23 |
10 |
10787 |
119.2 |
-1.6 |
0.365 |
5 |
0 |
0 |
0.270 |
| 15 |
40 |
|
[GOL]E:1302 |
6 |
1 |
220 |
f |
E |
x,y,z |
1_555 |
25 |
10 |
10912 |
117.9 |
-0.0 |
0.600 |
3 |
0 |
0 |
0.066 |
| 16 |
41 |
|
[GOL]A:1302 |
6 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
21 |
9 |
11089 |
117.3 |
-0.2 |
0.574 |
5 |
0 |
0 |
0.091 |
| 17 |
42 |
|
[GOL]B:1302 |
6 |
1 |
217 |
f |
B |
x,y,z |
1_555 |
23 |
11 |
11049 |
114.0 |
-0.3 |
0.562 |
4 |
0 |
0 |
0.094 |
| 18 |
43 |
|
[GOL]C:1303 |
6 |
1 |
221 |
f |
C |
x,y,z |
1_555 |
21 |
8 |
11279 |
112.3 |
-0.5 |
0.535 |
4 |
0 |
0 |
0.104 |
| 19 |
44 |
|
[K]D:1302 |
1 |
1 |
216 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
11121 |
81.1 |
-54.0 |
0.000 |
0 |
0 |
0 |
0.841 |
45 |
|
[K]A:1303 |
1 |
1 |
216 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
11089 |
80.1 |
-54.2 |
0.000 |
0 |
0 |
0 |
0.841 |
46 |
|
[K]A:1303 |
1 |
1 |
216 |
◊ |
B |
x,y,z |
1_555 |
15 |
5 |
11049 |
79.9 |
-53.7 |
0.000 |
0 |
0 |
0 |
0.841 |
47 |
|
[K]E:1303 |
1 |
1 |
216 |
◊ |
F |
x,y,z |
1_555 |
14 |
5 |
10787 |
79.7 |
-54.4 |
0.000 |
0 |
0 |
0 |
0.841 |
48 |
|
[K]D:1302 |
1 |
1 |
216 |
◊ |
C |
x,y,z |
1_555 |
15 |
6 |
11279 |
79.1 |
-53.9 |
0.000 |
0 |
0 |
0 |
0.841 |
49 |
|
[K]E:1303 |
1 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
17 |
5 |
10912 |
78.5 |
-53.8 |
0.000 |
0 |
0 |
0 |
0.841 |
| Average: |
79.7 |
-54.0 |
0.000 |
0 |
0 |
0 |
0.841 |
| 20 |
50 |
|
[EDO]C:1302 |
4 |
1 |
184 |
◊ |
D |
x,y,z |
1_555 |
8 |
3 |
11121 |
62.7 |
1.0 |
0.581 |
0 |
0 |
0 |
0.000 |
| 21 |
51 |
|
H |
7 |
4 |
10976 |
◊ |
F |
x,y,z |
1_555 |
7 |
2 |
10787 |
62.5 |
1.1 |
0.732 |
0 |
1 |
0 |
0.000 |
52 |
|
G |
3 |
1 |
10971 |
◊ |
E |
x-1/2,y+1/2,z |
3_455 |
5 |
2 |
10912 |
42.9 |
0.7 |
0.824 |
1 |
2 |
0 |
0.000 |
53 |
|
A |
4 |
1 |
11089 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
4 |
2 |
11049 |
33.4 |
0.3 |
0.719 |
0 |
0 |
0 |
0.000 |
| Average: |
46.3 |
0.7 |
0.758 |
0 |
1 |
0 |
0.000 |
| 22 |
54 |
|
[EDO]C:1302 |
4 |
1 |
184 |
◊ |
C |
x,y,z |
1_555 |
5 |
1 |
11279 |
55.4 |
1.7 |
0.889 |
1 |
0 |
0 |
0.000 |
| 23 |
55 |
|
[GOL]C:1303 |
4 |
1 |
221 |
◊ |
D |
x,y,z |
1_555 |
8 |
4 |
11121 |
53.9 |
0.9 |
0.662 |
1 |
0 |
0 |
0.000 |
| 24 |
56 |
|
I |
7 |
1 |
11034 |
◊ |
D |
-x+1/2,y-1/2,-z+1 |
4_546 |
8 |
3 |
11121 |
51.8 |
0.3 |
0.716 |
0 |
0 |
0 |
0.000 |
57 |
|
I |
5 |
3 |
11034 |
◊ |
C |
x-1/2,y-1/2,z |
3_445 |
4 |
1 |
11279 |
50.5 |
0.8 |
0.828 |
0 |
0 |
0 |
0.000 |
| Average: |
51.1 |
0.5 |
0.772 |
0 |
0 |
0 |
0.000 |
| 25 |
58 |
|
F |
5 |
4 |
10787 |
◊ |
B |
x,y-1,z |
1_545 |
6 |
3 |
11049 |
49.8 |
0.8 |
0.824 |
1 |
0 |
0 |
0.000 |
| 26 |
59 |
|
[GOL]F:1302 |
4 |
1 |
220 |
◊ |
E |
x,y,z |
1_555 |
6 |
3 |
10912 |
49.3 |
1.4 |
0.778 |
1 |
0 |
0 |
0.000 |
| 27 |
60 |
|
[GOL]A:1302 |
3 |
1 |
217 |
◊ |
B |
x,y,z |
1_555 |
7 |
4 |
11049 |
43.7 |
0.9 |
0.650 |
1 |
0 |
0 |
0.000 |
| 28 |
61 |
|
[GOL]E:1302 |
3 |
1 |
220 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
10787 |
43.4 |
1.1 |
0.680 |
0 |
0 |
0 |
0.000 |
| 29 |
62 |
|
[GOL]B:1302 |
4 |
1 |
217 |
f |
[URF]B:1301 |
x,y,z |
1_555 |
4 |
1 |
252 |
41.4 |
0.5 |
0.382 |
2 |
0 |
0 |
0.016 |
| 30 |
63 |
|
[GOL]B:1302 |
4 |
1 |
217 |
◊ |
A |
x,y,z |
1_555 |
8 |
3 |
11089 |
41.1 |
0.9 |
0.659 |
0 |
0 |
0 |
0.000 |
| 31 |
64 |
|
[GOL]F:1302 |
4 |
1 |
220 |
f |
[URF]F:1301 |
x,y,z |
1_555 |
4 |
1 |
251 |
40.2 |
0.4 |
0.352 |
0 |
0 |
0 |
0.000 |
| 32 |
65 |
|
[GOL]E:1302 |
5 |
1 |
220 |
f |
[URF]E:1301 |
x,y,z |
1_555 |
4 |
1 |
250 |
37.7 |
0.5 |
0.344 |
1 |
0 |
0 |
0.000 |
| 33 |
66 |
|
[GOL]A:1302 |
5 |
1 |
217 |
f |
[URF]A:1301 |
x,y,z |
1_555 |
4 |
1 |
253 |
37.7 |
0.2 |
0.308 |
1 |
0 |
0 |
0.008 |
| 34 |
67 |
|
[GOL]C:1303 |
5 |
1 |
221 |
f |
[URF]C:1301 |
x,y,z |
1_555 |
4 |
1 |
251 |
36.7 |
0.5 |
0.346 |
0 |
0 |
0 |
0.000 |
| 35 |
68 |
|
[URF]G:1301 |
5 |
1 |
253 |
◊ |
H |
x,y,z |
1_555 |
5 |
2 |
10976 |
19.2 |
0.4 |
0.301 |
0 |
0 |
0 |
0.000 |
69 |
|
[URF]H:1301 |
5 |
1 |
253 |
◊ |
G |
x,y,z |
1_555 |
3 |
2 |
10971 |
13.8 |
0.3 |
0.275 |
0 |
0 |
0 |
0.000 |
70 |
|
[URF]F:1301 |
4 |
1 |
251 |
◊ |
E |
x,y,z |
1_555 |
3 |
2 |
10912 |
11.5 |
0.2 |
0.295 |
0 |
0 |
0 |
0.000 |
71 |
|
[URF]E:1301 |
3 |
1 |
250 |
◊ |
F |
x,y,z |
1_555 |
2 |
1 |
10787 |
11.3 |
0.1 |
0.267 |
0 |
0 |
0 |
0.000 |
72 |
|
[URF]D:1301 |
3 |
1 |
251 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
11279 |
9.7 |
0.1 |
0.292 |
0 |
0 |
0 |
0.000 |
73 |
|
[URF]A:1301 |
3 |
1 |
253 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
11049 |
9.3 |
0.1 |
0.287 |
0 |
0 |
0 |
0.000 |
74 |
|
[URF]B:1301 |
3 |
1 |
252 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
11089 |
8.2 |
0.1 |
0.296 |
0 |
0 |
0 |
0.000 |
75 |
|
[URF]C:1301 |
3 |
1 |
251 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
11121 |
8.1 |
0.1 |
0.301 |
0 |
0 |
0 |
0.000 |
| Average: |
11.4 |
0.2 |
0.289 |
0 |
0 |
0 |
0.000 |
| 36 |
76 |
|
H |
1 |
1 |
10976 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
11121 |
11.9 |
-0.4 |
0.201 |
0 |
0 |
0 |
0.000 |
77 |
|
C |
1 |
1 |
11279 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
3 |
1 |
11049 |
5.3 |
-0.1 |
0.466 |
0 |
0 |
0 |
0.000 |
| Average: |
8.6 |
-0.2 |
0.334 |
0 |
0 |
0 |
0.000 |
| 37 |
78 |
|
[EDO]C:1302 |
1 |
1 |
184 |
f |
B |
x,y,z |
1_555 |
1 |
1 |
11049 |
7.5 |
0.2 |
0.911 |
0 |
0 |
0 |
0.000 |
| 38 |
79 |
|
A |
1 |
1 |
11089 |
◊ |
D |
x-1/2,y+1/2,z |
3_455 |
1 |
1 |
11121 |
0.9 |
0.0 |
0.731 |
0 |
0 |
0 |
0.000 |
|