## |
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 |
|
F |
347 |
93 |
22395 |
◊ |
E |
x,y,z |
1_555 |
350 |
93 |
22658 |
3348.8 |
-38.5 |
0.013 |
47 |
7 |
0 |
0.581 |
2 |
|
G |
345 |
92 |
22479 |
◊ |
B |
x,y,z |
1_555 |
354 |
93 |
22513 |
3340.3 |
-37.6 |
0.018 |
49 |
7 |
0 |
0.581 |
3 |
|
H |
348 |
94 |
22392 |
◊ |
A |
x,y,z |
1_555 |
351 |
92 |
22578 |
3339.9 |
-38.6 |
0.017 |
50 |
7 |
0 |
0.581 |
4 |
|
D |
354 |
92 |
22337 |
◊ |
C |
x,y,z |
1_555 |
350 |
91 |
22565 |
3335.0 |
-37.9 |
0.013 |
44 |
7 |
0 |
0.581 |
Average: |
3341.0 |
-38.1 |
0.015 |
48 |
7 |
0 |
0.581 |
2 |
5 |
|
B |
179 |
44 |
22513 |
◊ |
A |
x,y,z |
1_555 |
176 |
44 |
22578 |
1541.9 |
-1.8 |
0.750 |
23 |
15 |
0 |
0.115 |
6 |
|
E |
172 |
43 |
22658 |
◊ |
C |
x,y,z |
1_555 |
173 |
44 |
22565 |
1456.6 |
-3.1 |
0.692 |
25 |
11 |
0 |
0.115 |
7 |
|
F |
169 |
43 |
22395 |
◊ |
D |
x,y,z |
1_555 |
169 |
42 |
22337 |
1445.1 |
-3.5 |
0.699 |
22 |
10 |
0 |
0.115 |
8 |
|
H |
164 |
42 |
22392 |
◊ |
G |
x,y,z |
1_555 |
166 |
40 |
22479 |
1390.9 |
-5.3 |
0.618 |
20 |
9 |
0 |
0.115 |
Average: |
1458.6 |
-3.4 |
0.690 |
23 |
11 |
0 |
0.115 |
3 |
9 |
|
C |
43 |
12 |
22565 |
◊ |
D |
x-1,y,z |
1_455 |
46 |
17 |
22337 |
450.4 |
2.2 |
0.793 |
3 |
2 |
0 |
0.000 |
10 |
|
B |
46 |
11 |
22513 |
◊ |
G |
x,y-1,z |
1_545 |
48 |
17 |
22479 |
432.3 |
0.4 |
0.740 |
1 |
3 |
0 |
0.000 |
Average: |
441.3 |
1.3 |
0.766 |
2 |
3 |
0 |
0.000 |
4 |
11 |
|
E |
49 |
20 |
22658 |
◊ |
D |
x-1,y,z |
1_455 |
46 |
15 |
22337 |
435.0 |
4.8 |
0.936 |
5 |
2 |
0 |
0.000 |
12 |
|
A |
46 |
18 |
22578 |
◊ |
G |
x,y-1,z |
1_545 |
42 |
15 |
22479 |
411.1 |
2.6 |
0.856 |
2 |
0 |
0 |
0.000 |
Average: |
423.1 |
3.7 |
0.896 |
4 |
1 |
0 |
0.000 |
5 |
13 |
|
[TD6]H:601 |
31 |
1 |
700 |
f |
H |
x,y,z |
1_555 |
48 |
23 |
22392 |
386.1 |
-9.4 |
0.292 |
16 |
0 |
0 |
0.149 |
14 |
|
[TD6]D:601 |
30 |
1 |
698 |
f |
D |
x,y,z |
1_555 |
53 |
25 |
22337 |
377.5 |
-9.3 |
0.298 |
13 |
0 |
0 |
0.149 |
15 |
|
[TD6]E:601 |
30 |
1 |
705 |
f |
E |
x,y,z |
1_555 |
51 |
23 |
22658 |
375.5 |
-9.3 |
0.303 |
14 |
0 |
0 |
0.149 |
Average: |
379.7 |
-9.4 |
0.298 |
14 |
0 |
0 |
0.149 |
6 |
16 |
|
E |
45 |
13 |
22658 |
◊ |
D |
x,y,z |
1_555 |
47 |
13 |
22337 |
372.2 |
-5.3 |
0.199 |
2 |
0 |
0 |
0.049 |
17 |
|
F |
47 |
12 |
22395 |
◊ |
C |
x,y,z |
1_555 |
46 |
12 |
22565 |
371.9 |
-5.2 |
0.211 |
4 |
0 |
0 |
0.049 |
18 |
|
H |
44 |
12 |
22392 |
◊ |
B |
x,y,z |
1_555 |
45 |
12 |
22513 |
368.1 |
-5.0 |
0.220 |
4 |
0 |
0 |
0.049 |
19 |
|
G |
46 |
13 |
22479 |
◊ |
A |
x,y,z |
1_555 |
46 |
13 |
22578 |
365.8 |
-5.2 |
0.226 |
2 |
0 |
0 |
0.049 |
Average: |
369.5 |
-5.2 |
0.214 |
3 |
0 |
0 |
0.049 |
7 |
20 |
|
H |
45 |
13 |
22392 |
◊ |
F |
x-1,y,z+1 |
1_456 |
44 |
16 |
22395 |
369.7 |
-0.8 |
0.582 |
3 |
3 |
0 |
0.000 |
8 |
21 |
|
[TD6]C:601 |
29 |
1 |
696 |
f |
C |
x,y,z |
1_555 |
49 |
23 |
22565 |
341.5 |
-10.5 |
0.233 |
13 |
0 |
0 |
0.265 |
22 |
|
[TD6]G:601 |
29 |
1 |
688 |
f |
G |
x,y,z |
1_555 |
47 |
23 |
22479 |
339.8 |
-10.4 |
0.258 |
12 |
0 |
0 |
0.265 |
23 |
|
[TD6]A:601 |
29 |
1 |
686 |
f |
A |
x,y,z |
1_555 |
45 |
23 |
22578 |
339.6 |
-10.6 |
0.227 |
13 |
0 |
0 |
0.265 |
24 |
|
[TD6]B:601 |
29 |
1 |
674 |
f |
B |
x,y,z |
1_555 |
45 |
22 |
22513 |
325.9 |
-10.0 |
0.249 |
14 |
0 |
0 |
0.265 |
Average: |
336.7 |
-10.4 |
0.242 |
13 |
0 |
0 |
0.265 |
9 |
25 |
|
[TDP]F:601 |
25 |
1 |
590 |
f |
F |
x,y,z |
1_555 |
44 |
21 |
22395 |
311.2 |
-4.9 |
0.290 |
12 |
0 |
0 |
0.099 |
10 |
26 |
|
C |
34 |
8 |
22565 |
◊ |
A |
x,y,z |
1_555 |
33 |
8 |
22578 |
292.2 |
-3.4 |
0.290 |
0 |
0 |
0 |
0.000 |
27 |
|
E |
33 |
9 |
22658 |
◊ |
B |
x,y,z |
1_555 |
30 |
7 |
22513 |
280.1 |
-3.6 |
0.247 |
0 |
0 |
0 |
0.000 |
Average: |
286.1 |
-3.5 |
0.269 |
0 |
0 |
0 |
0.000 |
11 |
28 |
|
[TD6]B:601 |
18 |
1 |
674 |
◊ |
G |
x,y,z |
1_555 |
27 |
13 |
22479 |
208.6 |
1.4 |
0.862 |
5 |
0 |
0 |
0.019 |
29 |
|
[TD6]C:601 |
19 |
1 |
696 |
◊ |
D |
x,y,z |
1_555 |
30 |
14 |
22337 |
205.9 |
1.4 |
0.849 |
6 |
0 |
0 |
0.019 |
30 |
|
[TD6]G:601 |
17 |
1 |
688 |
◊ |
B |
x,y,z |
1_555 |
28 |
14 |
22513 |
202.2 |
1.2 |
0.837 |
6 |
0 |
0 |
0.019 |
31 |
|
[TD6]A:601 |
19 |
1 |
686 |
◊ |
H |
x,y,z |
1_555 |
25 |
13 |
22392 |
197.3 |
1.4 |
0.844 |
6 |
0 |
0 |
0.019 |
Average: |
203.5 |
1.4 |
0.848 |
6 |
0 |
0 |
0.019 |
12 |
32 |
|
[TD6]E:601 |
19 |
1 |
705 |
◊ |
F |
x,y,z |
1_555 |
27 |
12 |
22395 |
185.4 |
1.9 |
0.847 |
0 |
0 |
0 |
0.000 |
33 |
|
[TD6]D:601 |
16 |
1 |
698 |
◊ |
C |
x,y,z |
1_555 |
25 |
12 |
22565 |
180.5 |
1.9 |
0.840 |
1 |
0 |
0 |
0.000 |
34 |
|
[TD6]H:601 |
17 |
1 |
700 |
◊ |
A |
x,y,z |
1_555 |
24 |
12 |
22578 |
158.9 |
1.5 |
0.798 |
1 |
0 |
0 |
0.000 |
Average: |
175.0 |
1.8 |
0.828 |
1 |
0 |
0 |
0.000 |
13 |
35 |
|
[TDP]F:601 |
14 |
1 |
590 |
◊ |
E |
x,y,z |
1_555 |
24 |
11 |
22658 |
144.8 |
2.7 |
0.748 |
0 |
0 |
0 |
0.000 |
14 |
36 |
|
[GOL]C:603 |
6 |
1 |
222 |
f |
C |
x,y,z |
1_555 |
17 |
7 |
22565 |
132.6 |
0.9 |
0.697 |
7 |
0 |
0 |
0.018 |
15 |
37 |
|
[GOL]H:603 |
6 |
1 |
219 |
f |
H |
x,y,z |
1_555 |
19 |
7 |
22392 |
131.2 |
0.9 |
0.731 |
5 |
0 |
0 |
0.011 |
16 |
38 |
|
C |
16 |
7 |
22565 |
◊ |
B |
x,y,z |
1_555 |
13 |
7 |
22513 |
129.2 |
-1.2 |
0.410 |
0 |
0 |
0 |
0.000 |
17 |
39 |
|
G |
18 |
6 |
22479 |
◊ |
A |
x-1,y+1,z |
1_465 |
12 |
7 |
22578 |
127.6 |
-0.1 |
0.573 |
2 |
0 |
0 |
0.000 |
40 |
|
E |
13 |
6 |
22658 |
◊ |
D |
x-1,y+1,z |
1_465 |
18 |
6 |
22337 |
126.0 |
-0.2 |
0.568 |
2 |
0 |
0 |
0.000 |
Average: |
126.8 |
-0.1 |
0.570 |
2 |
0 |
0 |
0.000 |
18 |
41 |
|
[EDO]F:603 |
4 |
1 |
184 |
f |
F |
x,y,z |
1_555 |
21 |
9 |
22395 |
115.3 |
3.4 |
0.542 |
2 |
0 |
0 |
0.000 |
19 |
42 |
|
H |
12 |
5 |
22392 |
◊ |
F |
x-1,y+1,z+1 |
1_466 |
13 |
4 |
22395 |
107.4 |
-1.6 |
0.280 |
0 |
0 |
0 |
0.000 |
20 |
43 |
|
[GOL]G:603 |
6 |
1 |
219 |
f |
G |
x,y,z |
1_555 |
19 |
8 |
22479 |
103.8 |
1.0 |
0.737 |
6 |
0 |
0 |
0.014 |
21 |
44 |
|
[GOL]D:603 |
5 |
1 |
218 |
f |
D |
x,y,z |
1_555 |
13 |
6 |
22337 |
102.6 |
-0.0 |
0.557 |
3 |
0 |
0 |
0.012 |
22 |
45 |
|
[GOL]D:604 |
5 |
1 |
213 |
f |
D |
x,y,z |
1_555 |
15 |
5 |
22337 |
91.3 |
-0.0 |
0.655 |
6 |
0 |
0 |
0.023 |
23 |
46 |
|
[FMT]C:604 |
3 |
1 |
151 |
f |
C |
x,y,z |
1_555 |
20 |
9 |
22565 |
88.4 |
-0.7 |
0.346 |
0 |
0 |
0 |
0.006 |
24 |
47 |
|
[FMT]F:604 |
3 |
1 |
149 |
f |
F |
x,y,z |
1_555 |
9 |
5 |
22395 |
86.0 |
-0.1 |
0.357 |
1 |
0 |
0 |
0.006 |
25 |
48 |
|
[FMT]E:603 |
3 |
1 |
151 |
f |
E |
x,y,z |
1_555 |
16 |
8 |
22658 |
85.3 |
-0.2 |
0.607 |
2 |
0 |
0 |
0.010 |
26 |
49 |
|
[FMT]B:603 |
3 |
1 |
151 |
f |
B |
x,y,z |
1_555 |
15 |
6 |
22513 |
81.6 |
0.6 |
0.683 |
3 |
0 |
0 |
0.006 |
27 |
50 |
|
[FMT]B:604 |
3 |
1 |
150 |
f |
B |
x,y,z |
1_555 |
17 |
6 |
22513 |
81.1 |
-0.2 |
0.590 |
0 |
0 |
0 |
0.002 |
28 |
51 |
|
[FMT]H:604 |
3 |
1 |
150 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
22392 |
78.9 |
-0.2 |
0.485 |
3 |
0 |
0 |
0.013 |
29 |
52 |
|
[FMT]D:605 |
3 |
1 |
150 |
f |
D |
x,y,z |
1_555 |
16 |
5 |
22337 |
78.3 |
-0.1 |
0.417 |
0 |
0 |
0 |
0.001 |
30 |
53 |
|
[FMT]E:604 |
3 |
1 |
149 |
f |
E |
x,y,z |
1_555 |
14 |
5 |
22658 |
74.4 |
0.2 |
0.450 |
1 |
0 |
0 |
0.002 |
31 |
54 |
|
[FMT]F:605 |
3 |
1 |
150 |
f |
F |
x,y,z |
1_555 |
15 |
4 |
22395 |
72.5 |
0.0 |
0.580 |
2 |
0 |
0 |
0.008 |
32 |
55 |
|
[FMT]G:604 |
3 |
1 |
149 |
f |
G |
x,y,z |
1_555 |
12 |
5 |
22479 |
66.3 |
-0.1 |
0.392 |
2 |
0 |
0 |
0.009 |
33 |
56 |
|
[MG]H:602 |
1 |
1 |
98 |
f |
H |
x,y,z |
1_555 |
11 |
8 |
22392 |
37.7 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.117 |
57 |
|
[MG]F:602 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
11 |
7 |
22395 |
37.3 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.117 |
58 |
|
[MG]E:602 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
11 |
7 |
22658 |
37.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.117 |
59 |
|
[MG]G:602 |
1 |
1 |
98 |
f |
G |
x,y,z |
1_555 |
10 |
7 |
22479 |
36.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.117 |
60 |
|
[MG]D:602 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
7 |
22337 |
36.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.117 |
61 |
|
[MG]A:602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
9 |
7 |
22578 |
36.6 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.117 |
62 |
|
[MG]C:602 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
7 |
22565 |
36.5 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.117 |
63 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
22513 |
36.3 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.117 |
Average: |
36.9 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.117 |
34 |
64 |
|
[FMT]G:604 |
3 |
1 |
149 |
◊ |
H |
x,y,z |
1_555 |
7 |
4 |
22392 |
34.5 |
0.2 |
0.631 |
0 |
0 |
0 |
0.000 |
35 |
65 |
|
[FMT]E:603 |
3 |
1 |
151 |
◊ |
F |
x,y,z |
1_555 |
6 |
3 |
22395 |
34.3 |
-0.1 |
0.412 |
0 |
0 |
0 |
0.000 |
36 |
66 |
|
[MG]H:602 |
1 |
1 |
98 |
f |
[TD6]H:601 |
x,y,z |
1_555 |
5 |
1 |
700 |
31.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.084 |
67 |
|
[MG]G:602 |
1 |
1 |
98 |
f |
[TD6]G:601 |
x,y,z |
1_555 |
4 |
1 |
688 |
31.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.084 |
68 |
|
[MG]D:602 |
1 |
1 |
98 |
f |
[TD6]D:601 |
x,y,z |
1_555 |
5 |
1 |
698 |
31.7 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.084 |
69 |
|
[MG]E:602 |
1 |
1 |
98 |
f |
[TD6]E:601 |
x,y,z |
1_555 |
3 |
1 |
705 |
31.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.084 |
70 |
|
[MG]A:602 |
1 |
1 |
98 |
f |
[TD6]A:601 |
x,y,z |
1_555 |
4 |
1 |
686 |
31.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.084 |
71 |
|
[MG]C:602 |
1 |
1 |
98 |
f |
[TD6]C:601 |
x,y,z |
1_555 |
3 |
1 |
696 |
31.3 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.084 |
72 |
|
[MG]B:602 |
1 |
1 |
98 |
f |
[TD6]B:601 |
x,y,z |
1_555 |
5 |
1 |
674 |
30.7 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.084 |
Average: |
31.5 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.084 |
37 |
73 |
|
[TDP]F:601 |
4 |
1 |
590 |
f |
[MG]F:602 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.041 |
38 |
74 |
|
H |
2 |
1 |
22392 |
◊ |
A |
x-1,y+1,z |
1_465 |
4 |
1 |
22578 |
30.4 |
-0.6 |
0.235 |
0 |
0 |
0 |
0.000 |
75 |
|
E |
4 |
1 |
22658 |
◊ |
F |
x-1,y+1,z |
1_465 |
3 |
1 |
22395 |
30.0 |
-0.4 |
0.324 |
0 |
0 |
0 |
0.000 |
Average: |
30.2 |
-0.5 |
0.279 |
0 |
0 |
0 |
0.000 |
39 |
76 |
|
[FMT]F:605 |
2 |
1 |
150 |
◊ |
E |
x,y,z |
1_555 |
2 |
1 |
22658 |
19.5 |
-0.5 |
0.329 |
0 |
0 |
0 |
0.004 |
40 |
77 |
|
C |
4 |
2 |
22565 |
◊ |
G |
x,y-1,z |
1_545 |
7 |
4 |
22479 |
17.5 |
0.3 |
0.721 |
0 |
0 |
0 |
0.000 |
78 |
|
B |
2 |
1 |
22513 |
◊ |
D |
x-1,y,z |
1_455 |
3 |
2 |
22337 |
8.6 |
0.1 |
0.669 |
0 |
0 |
0 |
0.000 |
Average: |
13.0 |
0.2 |
0.695 |
0 |
0 |
0 |
0.000 |
41 |
79 |
|
[GOL]H:603 |
3 |
1 |
219 |
◊ |
A |
x,y,z |
1_555 |
4 |
2 |
22578 |
13.7 |
0.3 |
0.635 |
0 |
0 |
0 |
0.000 |
42 |
80 |
|
E |
2 |
1 |
22658 |
◊ |
[GOL]D:604 |
x-1,y+1,z |
1_465 |
3 |
1 |
213 |
13.7 |
-0.4 |
0.362 |
0 |
0 |
0 |
0.000 |
43 |
81 |
|
[GOL]G:603 |
3 |
1 |
219 |
◊ |
A |
x-1,y+1,z |
1_465 |
2 |
1 |
22578 |
12.0 |
-0.4 |
0.361 |
0 |
0 |
0 |
0.000 |
44 |
82 |
|
[GOL]C:603 |
2 |
1 |
222 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22337 |
10.8 |
0.3 |
0.722 |
0 |
0 |
0 |
0.000 |
45 |
83 |
|
E |
1 |
1 |
22658 |
◊ |
H |
x,y,z-1 |
1_554 |
2 |
1 |
22392 |
3.0 |
-0.1 |
0.471 |
0 |
0 |
0 |
0.000 |
46 |
84 |
|
F |
1 |
1 |
22395 |
◊ |
A |
x,y,z-1 |
1_554 |
1 |
1 |
22578 |
1.1 |
0.0 |
0.727 |
0 |
0 |
0 |
0.000 |
47 |
85 |
|
B |
1 |
1 |
22513 |
◊ |
A |
x-1,y+1,z |
1_465 |
1 |
1 |
22578 |
0.9 |
0.0 |
0.693 |
0 |
0 |
0 |
0.000 |
48 |
86 |
|
H |
1 |
1 |
22392 |
◊ |
D |
x-1,y,z+1 |
1_456 |
1 |
1 |
22337 |
0.2 |
-0.0 |
0.605 |
0 |
0 |
0 |
0.000 |
|