## |
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 |
|
B |
143 |
39 |
13072 |
◊ |
A |
x,y,z |
1_555 |
147 |
40 |
12997 |
1356.1 |
-8.3 |
0.347 |
22 |
19 |
0 |
0.718 |
2 |
|
H |
139 |
36 |
12869 |
◊ |
E |
x,y,z |
1_555 |
138 |
37 |
12798 |
1331.5 |
-8.6 |
0.345 |
19 |
19 |
0 |
0.718 |
3 |
|
F |
135 |
36 |
13005 |
◊ |
C |
x,y,z |
1_555 |
138 |
38 |
12989 |
1328.3 |
-8.7 |
0.336 |
22 |
19 |
0 |
0.718 |
4 |
|
G |
136 |
36 |
12963 |
◊ |
D |
x,y,z |
1_555 |
142 |
39 |
12953 |
1297.3 |
-6.2 |
0.404 |
18 |
19 |
0 |
0.718 |
Average: |
1328.3 |
-7.9 |
0.358 |
20 |
19 |
0 |
0.718 |
2 |
5 |
|
C |
79 |
21 |
12989 |
◊ |
B |
-x+1/2,y-1/2,-z |
4_545 |
81 |
27 |
13072 |
815.3 |
-7.4 |
0.148 |
6 |
8 |
0 |
0.000 |
6 |
|
B |
79 |
22 |
13072 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
70 |
23 |
12953 |
731.2 |
-5.6 |
0.293 |
8 |
7 |
0 |
0.000 |
Average: |
773.2 |
-6.5 |
0.220 |
7 |
8 |
0 |
0.000 |
3 |
7 |
|
E |
70 |
22 |
12798 |
◊ |
D |
x,y,z |
1_555 |
63 |
19 |
12953 |
665.7 |
-3.6 |
0.385 |
8 |
9 |
0 |
0.000 |
8 |
|
E |
68 |
20 |
12798 |
◊ |
C |
x,y,z |
1_555 |
66 |
24 |
12989 |
646.8 |
-4.7 |
0.328 |
8 |
6 |
0 |
0.000 |
Average: |
656.3 |
-4.2 |
0.356 |
8 |
8 |
0 |
0.000 |
4 |
9 |
|
H |
51 |
15 |
12869 |
◊ |
B |
x,y,z |
1_555 |
57 |
13 |
13072 |
502.5 |
-1.7 |
0.555 |
2 |
1 |
0 |
0.000 |
10 |
|
E |
56 |
12 |
12798 |
◊ |
A |
x,y,z |
1_555 |
49 |
15 |
12997 |
499.5 |
-2.7 |
0.440 |
2 |
1 |
0 |
0.000 |
11 |
|
G |
54 |
15 |
12963 |
◊ |
D |
-x,y,-z-1 |
2_554 |
56 |
11 |
12953 |
498.2 |
-2.2 |
0.484 |
2 |
2 |
0 |
0.000 |
12 |
|
F |
50 |
16 |
13005 |
◊ |
C |
-x,y,-z-1 |
2_554 |
59 |
12 |
12989 |
494.0 |
-1.9 |
0.535 |
2 |
1 |
0 |
0.000 |
Average: |
498.5 |
-2.2 |
0.504 |
2 |
1 |
0 |
0.000 |
5 |
13 |
|
H |
39 |
15 |
12869 |
◊ |
D |
-x+1/2,y-1/2,-z |
4_545 |
34 |
12 |
12953 |
329.6 |
1.3 |
0.712 |
4 |
2 |
0 |
0.000 |
14 |
|
F |
32 |
14 |
13005 |
◊ |
B |
x-1/2,y-1/2,z-1 |
3_444 |
30 |
10 |
13072 |
286.0 |
-0.2 |
0.535 |
1 |
0 |
0 |
0.000 |
Average: |
307.8 |
0.6 |
0.623 |
3 |
1 |
0 |
0.000 |
6 |
15 |
|
F |
23 |
7 |
13005 |
◊ |
E |
x-1/2,y-1/2,z |
3_445 |
31 |
10 |
12798 |
248.0 |
-0.1 |
0.644 |
1 |
0 |
0 |
0.000 |
7 |
16 |
|
C |
20 |
8 |
12989 |
◊ |
A |
-x,y,-z |
2_555 |
21 |
7 |
12997 |
202.4 |
1.5 |
0.719 |
3 |
0 |
0 |
0.000 |
8 |
17 |
|
G |
20 |
9 |
12963 |
◊ |
H |
x-1/2,y+1/2,z |
3_455 |
21 |
6 |
12869 |
189.0 |
-0.4 |
0.533 |
1 |
0 |
0 |
0.000 |
18 |
|
G |
15 |
6 |
12963 |
◊ |
A |
-x,y,-z |
2_555 |
14 |
6 |
12997 |
120.3 |
-0.4 |
0.503 |
1 |
0 |
0 |
0.000 |
Average: |
154.6 |
-0.4 |
0.518 |
1 |
0 |
0 |
0.000 |
9 |
19 |
|
D |
18 |
6 |
12953 |
◊ |
H |
x-1/2,y+1/2,z |
3_455 |
17 |
4 |
12869 |
174.0 |
1.2 |
0.786 |
1 |
2 |
0 |
0.000 |
10 |
20 |
|
[GOL]D:403 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
22 |
14 |
12953 |
146.8 |
-2.3 |
0.210 |
3 |
0 |
0 |
0.125 |
11 |
21 |
|
G |
16 |
4 |
12963 |
◊ |
B |
-x,y,-z |
2_555 |
16 |
5 |
13072 |
144.7 |
0.2 |
0.658 |
1 |
1 |
0 |
0.000 |
12 |
22 |
|
G |
18 |
9 |
12963 |
◊ |
E |
-x,y,-z-1 |
2_554 |
24 |
8 |
12798 |
137.2 |
-0.1 |
0.630 |
2 |
0 |
0 |
0.000 |
23 |
|
C |
24 |
8 |
12989 |
◊ |
A |
x,y,z |
1_555 |
18 |
10 |
12997 |
130.7 |
-0.2 |
0.602 |
0 |
0 |
0 |
0.000 |
Average: |
134.0 |
-0.1 |
0.616 |
1 |
0 |
0 |
0.000 |
13 |
24 |
|
A |
16 |
6 |
12997 |
◊ |
A |
-x,y,-z |
2_555 |
16 |
6 |
12997 |
126.1 |
-0.9 |
0.480 |
0 |
0 |
0 |
0.000 |
25 |
|
F |
16 |
5 |
13005 |
◊ |
G |
-x-1/2,y-1/2,-z-1 |
4_444 |
15 |
5 |
12963 |
108.3 |
-0.5 |
0.551 |
1 |
0 |
0 |
0.000 |
Average: |
117.2 |
-0.7 |
0.516 |
1 |
0 |
0 |
0.000 |
14 |
26 |
|
[MES]D:401 |
9 |
1 |
341 |
f |
D |
x,y,z |
1_555 |
16 |
4 |
12953 |
125.3 |
5.2 |
0.182 |
0 |
0 |
0 |
0.000 |
15 |
27 |
|
[MES]C:403 |
11 |
1 |
339 |
f |
C |
x,y,z |
1_555 |
15 |
4 |
12989 |
124.6 |
6.2 |
0.127 |
0 |
0 |
0 |
0.000 |
28 |
|
[MES]B:402 |
11 |
1 |
337 |
f |
B |
x,y,z |
1_555 |
15 |
4 |
13072 |
122.9 |
6.2 |
0.132 |
0 |
0 |
0 |
0.000 |
Average: |
123.7 |
6.2 |
0.130 |
0 |
0 |
0 |
0.000 |
16 |
29 |
|
[GOL]D:406 |
6 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
17 |
7 |
12953 |
122.1 |
-0.2 |
0.568 |
5 |
0 |
0 |
0.084 |
17 |
30 |
|
[GOL]A:407 |
6 |
1 |
216 |
f |
A |
x,y,z |
1_555 |
15 |
6 |
12997 |
119.5 |
-0.3 |
0.564 |
5 |
0 |
0 |
0.062 |
18 |
31 |
|
[GOL]F:403 |
6 |
1 |
219 |
f |
F |
x,y,z |
1_555 |
15 |
6 |
13005 |
118.5 |
-0.2 |
0.593 |
5 |
0 |
0 |
0.061 |
19 |
32 |
|
[GOL]G:404 |
6 |
1 |
218 |
f |
G |
x,y,z |
1_555 |
14 |
6 |
12963 |
118.3 |
-0.3 |
0.532 |
4 |
0 |
0 |
0.068 |
20 |
33 |
|
[GOL]A:406 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
16 |
6 |
12997 |
117.1 |
0.2 |
0.664 |
4 |
0 |
0 |
0.039 |
21 |
34 |
|
[GOL]C:405 |
6 |
1 |
218 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
12989 |
116.3 |
-0.7 |
0.542 |
2 |
0 |
0 |
0.043 |
35 |
|
[GOL]B:403 |
6 |
1 |
216 |
f |
B |
x,y,z |
1_555 |
19 |
8 |
13072 |
109.6 |
-0.9 |
0.483 |
2 |
0 |
0 |
0.043 |
Average: |
113.0 |
-0.8 |
0.513 |
2 |
0 |
0 |
0.043 |
22 |
36 |
|
[GOL]D:402 |
6 |
1 |
216 |
f |
D |
x,y,z |
1_555 |
24 |
11 |
12953 |
115.4 |
0.1 |
0.569 |
3 |
0 |
0 |
0.041 |
23 |
37 |
|
[MES]A:404 |
8 |
1 |
330 |
◊ |
A |
x,y,z |
1_555 |
19 |
5 |
12997 |
113.2 |
1.6 |
0.116 |
0 |
0 |
0 |
0.000 |
24 |
38 |
|
[GOL]A:405 |
6 |
1 |
218 |
f |
A |
x,y,z |
1_555 |
17 |
5 |
12997 |
112.8 |
0.6 |
0.706 |
3 |
0 |
0 |
0.019 |
25 |
39 |
|
[GOL]E:404 |
6 |
1 |
221 |
f |
D |
x,y,z |
1_555 |
17 |
6 |
12953 |
108.8 |
-1.7 |
0.331 |
0 |
0 |
0 |
0.057 |
26 |
40 |
|
[GOL]F:402 |
6 |
1 |
217 |
◊ |
B |
x-1/2,y-1/2,z-1 |
3_444 |
14 |
8 |
13072 |
106.8 |
0.0 |
0.652 |
1 |
0 |
0 |
0.000 |
27 |
41 |
|
[GOL]D:404 |
6 |
1 |
215 |
f |
D |
x,y,z |
1_555 |
14 |
5 |
12953 |
103.7 |
0.1 |
0.565 |
2 |
0 |
0 |
0.028 |
28 |
42 |
|
[GOL]C:404 |
6 |
1 |
221 |
f |
E |
x,y,z |
1_555 |
17 |
5 |
12798 |
100.9 |
-1.3 |
0.365 |
1 |
0 |
0 |
0.063 |
29 |
43 |
|
[MES]G:403 |
9 |
1 |
340 |
◊ |
G |
x,y,z |
1_555 |
15 |
5 |
12963 |
98.0 |
2.5 |
0.066 |
0 |
0 |
0 |
0.000 |
44 |
|
[MES]A:403 |
9 |
1 |
342 |
◊ |
A |
x,y,z |
1_555 |
14 |
5 |
12997 |
97.1 |
2.5 |
0.073 |
0 |
0 |
0 |
0.000 |
Average: |
97.6 |
2.5 |
0.070 |
0 |
0 |
0 |
0.000 |
30 |
45 |
|
[MES]H:402 |
11 |
1 |
337 |
◊ |
H |
x,y,z |
1_555 |
15 |
6 |
12869 |
96.5 |
2.1 |
0.032 |
0 |
0 |
0 |
0.000 |
46 |
|
[MES]C:402 |
11 |
1 |
335 |
◊ |
F |
x,y,z |
1_555 |
16 |
6 |
13005 |
96.3 |
2.3 |
0.037 |
0 |
0 |
0 |
0.000 |
Average: |
96.4 |
2.2 |
0.034 |
0 |
0 |
0 |
0.000 |
31 |
47 |
|
[GOL]C:406 |
5 |
1 |
217 |
◊ |
C |
x,y,z |
1_555 |
15 |
8 |
12989 |
96.4 |
0.5 |
0.676 |
3 |
0 |
0 |
0.000 |
32 |
48 |
|
[GOL]D:405 |
6 |
1 |
219 |
f |
D |
x,y,z |
1_555 |
10 |
4 |
12953 |
91.0 |
0.2 |
0.665 |
1 |
0 |
0 |
0.009 |
33 |
49 |
|
[MES]G:402 |
7 |
1 |
339 |
◊ |
G |
x,y,z |
1_555 |
18 |
6 |
12963 |
90.7 |
1.1 |
0.036 |
0 |
0 |
0 |
0.000 |
34 |
50 |
|
[MES]G:402 |
9 |
1 |
339 |
◊ |
D |
x,y,z |
1_555 |
14 |
5 |
12953 |
90.5 |
2.0 |
0.044 |
0 |
0 |
0 |
0.000 |
35 |
51 |
|
[MES]G:403 |
6 |
1 |
340 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
12953 |
88.1 |
0.5 |
0.054 |
0 |
0 |
0 |
0.000 |
52 |
|
[MES]A:403 |
5 |
1 |
342 |
f |
B |
x,y,z |
1_555 |
16 |
5 |
13072 |
82.7 |
0.2 |
0.066 |
0 |
0 |
0 |
0.000 |
Average: |
85.4 |
0.3 |
0.060 |
0 |
0 |
0 |
0.000 |
36 |
53 |
|
[MES]H:401 |
8 |
1 |
336 |
f |
H |
x,y,z |
1_555 |
16 |
5 |
12869 |
87.6 |
0.2 |
0.022 |
0 |
0 |
0 |
0.000 |
37 |
54 |
|
[MES]H:401 |
9 |
1 |
336 |
◊ |
E |
x,y,z |
1_555 |
13 |
5 |
12798 |
85.8 |
1.8 |
0.064 |
0 |
0 |
0 |
0.000 |
38 |
55 |
|
[GOL]C:404 |
6 |
1 |
221 |
◊ |
C |
x,y,z |
1_555 |
10 |
3 |
12989 |
80.1 |
0.1 |
0.593 |
3 |
0 |
0 |
0.000 |
39 |
56 |
|
[MES]H:402 |
4 |
1 |
337 |
f |
E |
x,y,z |
1_555 |
16 |
4 |
12798 |
79.6 |
-0.0 |
0.136 |
0 |
0 |
0 |
0.000 |
57 |
|
[MES]C:402 |
4 |
1 |
335 |
f |
C |
x,y,z |
1_555 |
16 |
4 |
12989 |
79.0 |
0.0 |
0.137 |
0 |
0 |
0 |
0.000 |
Average: |
79.3 |
0.0 |
0.136 |
0 |
0 |
0 |
0.000 |
40 |
58 |
|
[MES]A:404 |
8 |
1 |
330 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
13072 |
76.6 |
1.9 |
0.088 |
0 |
0 |
0 |
0.000 |
41 |
59 |
|
[CL]G:401 |
1 |
1 |
125 |
f |
G |
x,y,z |
1_555 |
15 |
9 |
12963 |
73.0 |
-10.4 |
0.000 |
0 |
0 |
0 |
0.556 |
60 |
|
[CL]F:401 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
14 |
9 |
13005 |
71.3 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.556 |
61 |
|
[CL]A:401 |
1 |
1 |
125 |
f |
A |
x,y,z |
1_555 |
14 |
8 |
12997 |
71.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.556 |
62 |
|
[CL]B:401 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
14 |
8 |
13072 |
70.4 |
-10.6 |
0.000 |
0 |
0 |
0 |
0.556 |
63 |
|
[CL]C:401 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
12 |
7 |
12989 |
70.1 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.556 |
64 |
|
[CL]E:401 |
1 |
1 |
125 |
f |
E |
x,y,z |
1_555 |
14 |
8 |
12798 |
69.9 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.556 |
Average: |
71.0 |
-10.7 |
0.000 |
0 |
0 |
0 |
0.556 |
42 |
65 |
|
[GOL]E:403 |
5 |
1 |
215 |
f |
E |
x,y,z |
1_555 |
12 |
2 |
12798 |
70.1 |
-0.8 |
0.421 |
0 |
0 |
0 |
0.030 |
43 |
66 |
|
[GOL]E:404 |
4 |
1 |
221 |
◊ |
E |
x,y,z |
1_555 |
10 |
3 |
12798 |
70.0 |
0.2 |
0.614 |
3 |
0 |
0 |
0.000 |
44 |
67 |
|
[GOL]F:402 |
5 |
1 |
217 |
f |
F |
x,y,z |
1_555 |
8 |
3 |
13005 |
64.1 |
-0.5 |
0.481 |
1 |
0 |
0 |
0.024 |
45 |
68 |
|
[MES]A:404 |
8 |
1 |
330 |
f |
E |
x,y,z |
1_555 |
8 |
4 |
12798 |
60.9 |
1.4 |
0.058 |
0 |
0 |
0 |
0.000 |
46 |
69 |
|
H |
9 |
4 |
12869 |
◊ |
H |
-x+1,y,-z |
2_655 |
9 |
4 |
12869 |
52.6 |
0.1 |
0.647 |
0 |
0 |
0 |
0.000 |
47 |
70 |
|
H |
6 |
2 |
12869 |
◊ |
[GOL]D:405 |
-x+1/2,y-1/2,-z |
4_545 |
5 |
1 |
219 |
51.7 |
1.0 |
0.768 |
2 |
0 |
0 |
0.000 |
48 |
71 |
|
[CL]E:402 |
1 |
1 |
125 |
◊ |
H |
x,y,z |
1_555 |
9 |
4 |
12869 |
48.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.307 |
72 |
|
[CL]A:402 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
4 |
13072 |
48.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.307 |
73 |
|
[CL]D:407 |
1 |
1 |
125 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
12963 |
48.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.307 |
74 |
|
[CL]C:407 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
9 |
4 |
13005 |
48.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.307 |
75 |
|
[CL]A:402 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
9 |
4 |
12997 |
48.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.307 |
76 |
|
[CL]D:407 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
9 |
4 |
12953 |
48.0 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.307 |
77 |
|
[CL]E:402 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
9 |
4 |
12798 |
47.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.307 |
78 |
|
[CL]C:407 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
12989 |
47.6 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.307 |
Average: |
48.1 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.307 |
49 |
79 |
|
[GOL]D:402 |
5 |
1 |
216 |
f |
[MES]D:401 |
x,y,z |
1_555 |
6 |
1 |
341 |
47.7 |
1.4 |
0.060 |
0 |
0 |
0 |
0.000 |
50 |
80 |
|
[GOL]C:406 |
3 |
1 |
217 |
f |
A |
x,y,z |
1_555 |
7 |
3 |
12997 |
46.3 |
-0.6 |
0.478 |
1 |
0 |
0 |
0.025 |
51 |
81 |
|
[GOL]G:404 |
3 |
1 |
218 |
◊ |
D |
-x,y,-z-1 |
2_554 |
5 |
1 |
12953 |
44.9 |
-0.4 |
0.537 |
0 |
0 |
0 |
0.000 |
52 |
82 |
|
[GOL]F:403 |
4 |
1 |
219 |
◊ |
C |
-x,y,-z-1 |
2_554 |
5 |
1 |
12989 |
44.4 |
-0.3 |
0.521 |
0 |
0 |
0 |
0.000 |
53 |
83 |
|
[GOL]A:407 |
4 |
1 |
216 |
◊ |
E |
x,y,z |
1_555 |
5 |
1 |
12798 |
44.1 |
-0.4 |
0.464 |
0 |
0 |
0 |
0.000 |
54 |
84 |
|
[GOL]D:404 |
4 |
1 |
215 |
◊ |
G |
-x,y,-z-1 |
2_554 |
4 |
2 |
12963 |
42.2 |
0.3 |
0.712 |
1 |
0 |
0 |
0.000 |
55 |
85 |
|
[MES]G:402 |
4 |
1 |
339 |
◊ |
D |
-x,y,-z-1 |
2_554 |
5 |
2 |
12953 |
39.5 |
0.7 |
0.112 |
0 |
0 |
0 |
0.000 |
56 |
86 |
|
[MES]H:401 |
4 |
1 |
336 |
◊ |
B |
x,y,z |
1_555 |
5 |
2 |
13072 |
36.7 |
0.6 |
0.142 |
0 |
0 |
0 |
0.000 |
57 |
87 |
|
F |
5 |
3 |
13005 |
◊ |
H |
x-1/2,y-1/2,z |
3_445 |
2 |
2 |
12869 |
25.5 |
0.3 |
0.746 |
0 |
0 |
0 |
0.000 |
88 |
|
F |
2 |
2 |
13005 |
◊ |
A |
-x,y,-z |
2_555 |
2 |
2 |
12997 |
10.2 |
-0.2 |
0.446 |
0 |
0 |
0 |
0.000 |
Average: |
17.8 |
0.1 |
0.596 |
0 |
0 |
0 |
0.000 |
58 |
89 |
|
[GOL]C:405 |
2 |
1 |
218 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
12997 |
10.1 |
0.2 |
0.701 |
0 |
0 |
0 |
0.000 |
59 |
90 |
|
[MES]G:402 |
2 |
1 |
339 |
f |
[MES]G:402 |
-x,y,-z-1 |
2_554 |
2 |
1 |
339 |
9.9 |
0.7 |
0.083 |
0 |
0 |
0 |
0.000 |
60 |
91 |
|
F |
1 |
1 |
13005 |
◊ |
[GOL]B:403 |
x-1/2,y-1/2,z-1 |
3_444 |
2 |
1 |
216 |
5.2 |
0.1 |
0.715 |
0 |
0 |
0 |
0.000 |
|