## |
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 |
|
D |
216 |
62 |
22155 |
◊ |
B |
x,y,z |
1_555 |
211 |
60 |
22234 |
2001.0 |
-6.1 |
0.419 |
27 |
6 |
0 |
0.240 |
2 |
|
C |
187 |
54 |
22382 |
◊ |
A |
x,y,z |
1_555 |
176 |
51 |
22114 |
1694.7 |
-0.9 |
0.630 |
29 |
6 |
0 |
0.240 |
Average: |
1847.9 |
-3.5 |
0.524 |
28 |
6 |
0 |
0.240 |
2 |
3 |
|
D |
198 |
50 |
22155 |
◊ |
A |
x,y,z |
1_555 |
198 |
50 |
22114 |
1749.9 |
-11.2 |
0.205 |
22 |
0 |
0 |
0.248 |
4 |
|
C |
198 |
50 |
22382 |
◊ |
B |
x,y,z |
1_555 |
191 |
50 |
22234 |
1741.8 |
-11.2 |
0.195 |
23 |
0 |
0 |
0.248 |
Average: |
1745.9 |
-11.2 |
0.200 |
23 |
0 |
0 |
0.248 |
3 |
5 |
|
D |
80 |
23 |
22155 |
◊ |
A |
x-1,y,z |
1_455 |
85 |
25 |
22114 |
787.0 |
-3.5 |
0.341 |
2 |
2 |
0 |
0.000 |
6 |
|
B |
70 |
22 |
22234 |
◊ |
C |
x-1,y,z |
1_455 |
76 |
23 |
22382 |
723.7 |
-1.4 |
0.443 |
4 |
3 |
0 |
0.000 |
Average: |
755.3 |
-2.5 |
0.392 |
3 |
3 |
0 |
0.000 |
4 |
7 |
|
D |
49 |
12 |
22155 |
x |
D |
-x+2,y-1/2,-z+3 |
2_748 |
48 |
14 |
22155 |
471.1 |
-1.9 |
0.385 |
5 |
4 |
0 |
0.000 |
5 |
8 |
|
D |
50 |
16 |
22155 |
◊ |
C |
x,y,z |
1_555 |
50 |
15 |
22382 |
451.6 |
-1.5 |
0.463 |
3 |
5 |
0 |
0.033 |
9 |
|
B |
48 |
14 |
22234 |
◊ |
A |
x,y,z |
1_555 |
45 |
13 |
22114 |
430.2 |
-3.3 |
0.306 |
0 |
4 |
0 |
0.033 |
Average: |
440.9 |
-2.4 |
0.384 |
2 |
5 |
0 |
0.033 |
6 |
10 |
|
[HF7]D:701 |
31 |
1 |
634 |
f |
D |
x,y,z |
1_555 |
63 |
27 |
22155 |
440.4 |
-1.8 |
0.544 |
11 |
0 |
0 |
0.172 |
11 |
|
[HF7]B:703 |
30 |
1 |
639 |
f |
B |
x,y,z |
1_555 |
60 |
25 |
22234 |
440.2 |
-2.0 |
0.511 |
11 |
0 |
0 |
0.172 |
12 |
|
[HF7]A:705 |
30 |
1 |
634 |
f |
A |
x,y,z |
1_555 |
62 |
27 |
22114 |
440.0 |
-1.1 |
0.612 |
12 |
0 |
0 |
0.172 |
13 |
|
[HF7]C:701 |
30 |
1 |
634 |
f |
C |
x,y,z |
1_555 |
61 |
26 |
22382 |
432.2 |
-2.0 |
0.511 |
12 |
0 |
0 |
0.172 |
Average: |
438.2 |
-1.7 |
0.544 |
12 |
0 |
0 |
0.172 |
7 |
14 |
|
B |
49 |
16 |
22234 |
◊ |
A |
x-1,y,z-1 |
1_454 |
43 |
14 |
22114 |
402.1 |
2.4 |
0.666 |
4 |
4 |
0 |
0.000 |
8 |
15 |
|
A |
39 |
13 |
22114 |
◊ |
C |
-x+3,y-1/2,-z+3 |
2_848 |
40 |
13 |
22382 |
383.1 |
0.3 |
0.600 |
6 |
3 |
0 |
0.000 |
9 |
16 |
|
C |
39 |
14 |
22382 |
◊ |
D |
x,y,z-1 |
1_554 |
53 |
16 |
22155 |
376.9 |
2.5 |
0.718 |
2 |
1 |
0 |
0.000 |
10 |
17 |
|
[GTP]A:702 |
25 |
1 |
590 |
◊ |
D |
x,y,z |
1_555 |
34 |
13 |
22155 |
217.4 |
0.5 |
0.643 |
5 |
0 |
0 |
0.036 |
18 |
|
[GTP]B:702 |
26 |
1 |
591 |
◊ |
C |
x,y,z |
1_555 |
35 |
13 |
22382 |
217.1 |
0.4 |
0.622 |
5 |
0 |
0 |
0.036 |
19 |
|
[GTP]C:703 |
25 |
1 |
592 |
◊ |
B |
x,y,z |
1_555 |
33 |
12 |
22234 |
215.9 |
0.4 |
0.623 |
5 |
0 |
0 |
0.036 |
20 |
|
[GTP]D:703 |
25 |
1 |
593 |
◊ |
A |
x,y,z |
1_555 |
26 |
10 |
22114 |
193.7 |
0.5 |
0.654 |
3 |
0 |
0 |
0.036 |
Average: |
211.0 |
0.5 |
0.636 |
5 |
0 |
0 |
0.036 |
11 |
21 |
|
[GTP]D:703 |
22 |
1 |
593 |
f |
D |
x,y,z |
1_555 |
26 |
11 |
22155 |
210.5 |
0.9 |
0.669 |
7 |
0 |
0 |
0.052 |
22 |
|
[GTP]C:703 |
22 |
1 |
592 |
f |
C |
x,y,z |
1_555 |
27 |
12 |
22382 |
205.6 |
1.2 |
0.676 |
6 |
0 |
0 |
0.052 |
23 |
|
[GTP]B:702 |
22 |
1 |
591 |
f |
B |
x,y,z |
1_555 |
26 |
11 |
22234 |
204.7 |
1.2 |
0.683 |
7 |
0 |
0 |
0.052 |
24 |
|
[GTP]A:702 |
21 |
1 |
590 |
f |
A |
x,y,z |
1_555 |
24 |
11 |
22114 |
204.1 |
1.0 |
0.678 |
7 |
0 |
0 |
0.052 |
Average: |
206.2 |
1.1 |
0.677 |
7 |
0 |
0 |
0.052 |
12 |
25 |
|
[HF7]D:702 |
24 |
1 |
629 |
◊ |
B |
x,y,z |
1_555 |
26 |
9 |
22234 |
196.5 |
0.7 |
0.599 |
4 |
0 |
0 |
0.025 |
26 |
|
[HF7]B:701 |
24 |
1 |
633 |
◊ |
D |
x,y,z |
1_555 |
26 |
9 |
22155 |
195.4 |
0.5 |
0.579 |
4 |
0 |
0 |
0.025 |
27 |
|
[HF7]A:703 |
24 |
1 |
629 |
◊ |
C |
x,y,z |
1_555 |
26 |
9 |
22382 |
193.3 |
0.3 |
0.565 |
4 |
0 |
0 |
0.025 |
28 |
|
[HF7]C:704 |
23 |
1 |
627 |
◊ |
A |
x,y,z |
1_555 |
24 |
9 |
22114 |
188.9 |
0.5 |
0.571 |
1 |
0 |
0 |
0.025 |
Average: |
193.5 |
0.5 |
0.578 |
3 |
0 |
0 |
0.025 |
13 |
29 |
|
[HF7]A:703 |
22 |
1 |
629 |
◊ |
A |
x,y,z |
1_555 |
21 |
8 |
22114 |
193.1 |
1.4 |
0.662 |
6 |
0 |
0 |
0.019 |
30 |
|
[HF7]B:701 |
22 |
1 |
633 |
◊ |
B |
x,y,z |
1_555 |
21 |
8 |
22234 |
192.3 |
1.1 |
0.642 |
5 |
0 |
0 |
0.019 |
31 |
|
[HF7]C:704 |
21 |
1 |
627 |
◊ |
C |
x,y,z |
1_555 |
19 |
7 |
22382 |
190.3 |
1.9 |
0.695 |
6 |
0 |
0 |
0.019 |
32 |
|
[HF7]D:702 |
21 |
1 |
629 |
◊ |
D |
x,y,z |
1_555 |
22 |
8 |
22155 |
189.1 |
2.2 |
0.678 |
8 |
0 |
0 |
0.019 |
Average: |
191.2 |
1.7 |
0.669 |
6 |
0 |
0 |
0.019 |
14 |
33 |
|
B |
22 |
7 |
22234 |
◊ |
A |
x-1,y,z |
1_455 |
17 |
6 |
22114 |
163.5 |
2.0 |
0.814 |
1 |
0 |
0 |
0.000 |
15 |
34 |
|
A |
14 |
5 |
22114 |
◊ |
D |
-x+3,y-1/2,-z+3 |
2_848 |
23 |
7 |
22155 |
149.0 |
-0.3 |
0.536 |
1 |
2 |
0 |
0.000 |
16 |
35 |
|
[HF7]D:702 |
15 |
1 |
629 |
f |
C |
x,y,z |
1_555 |
16 |
5 |
22382 |
107.5 |
0.3 |
0.552 |
1 |
0 |
0 |
0.007 |
36 |
|
[HF7]B:701 |
13 |
1 |
633 |
f |
A |
x,y,z |
1_555 |
15 |
5 |
22114 |
107.5 |
0.5 |
0.565 |
1 |
0 |
0 |
0.007 |
37 |
|
[HF7]A:703 |
14 |
1 |
629 |
f |
B |
x,y,z |
1_555 |
15 |
5 |
22234 |
106.2 |
0.4 |
0.558 |
1 |
0 |
0 |
0.007 |
38 |
|
[HF7]C:704 |
12 |
1 |
627 |
f |
D |
x,y,z |
1_555 |
17 |
5 |
22155 |
106.2 |
0.4 |
0.551 |
2 |
0 |
0 |
0.007 |
Average: |
106.9 |
0.4 |
0.557 |
1 |
0 |
0 |
0.007 |
17 |
39 |
|
[GTP]D:703 |
12 |
1 |
593 |
f |
[HF7]C:704 |
x,y,z |
1_555 |
13 |
1 |
627 |
97.9 |
-2.5 |
0.334 |
0 |
0 |
0 |
0.060 |
40 |
|
[GTP]C:703 |
12 |
1 |
592 |
f |
[HF7]D:702 |
x,y,z |
1_555 |
13 |
1 |
629 |
93.7 |
-2.5 |
0.323 |
0 |
0 |
0 |
0.060 |
41 |
|
[GTP]A:702 |
11 |
1 |
590 |
f |
[HF7]B:701 |
x,y,z |
1_555 |
12 |
1 |
633 |
93.2 |
-2.2 |
0.334 |
0 |
0 |
0 |
0.060 |
42 |
|
[GTP]B:702 |
11 |
1 |
591 |
f |
[HF7]A:703 |
x,y,z |
1_555 |
12 |
1 |
629 |
93.2 |
-2.3 |
0.324 |
0 |
0 |
0 |
0.060 |
Average: |
94.5 |
-2.4 |
0.329 |
0 |
0 |
0 |
0.060 |
18 |
43 |
|
B |
10 |
3 |
22234 |
◊ |
C |
-x+2,y-1/2,-z+2 |
2_747 |
9 |
4 |
22382 |
69.0 |
-0.3 |
0.514 |
0 |
0 |
0 |
0.000 |
19 |
44 |
|
[NA]C:707 |
1 |
1 |
125 |
f |
C |
x,y,z |
1_555 |
16 |
8 |
22382 |
65.1 |
-10.5 |
0.000 |
0 |
0 |
0 |
0.105 |
20 |
45 |
|
[MG]C:706 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
9 |
5 |
22382 |
43.2 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.107 |
46 |
|
[MG]B:704 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
22234 |
42.9 |
-4.3 |
0.000 |
0 |
0 |
0 |
0.107 |
47 |
|
[MG]A:706 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
8 |
5 |
22114 |
42.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.107 |
48 |
|
[MG]D:704 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
5 |
22155 |
41.9 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.107 |
Average: |
42.6 |
-4.2 |
0.000 |
0 |
0 |
0 |
0.107 |
21 |
49 |
|
[MG]A:706 |
1 |
1 |
98 |
f |
[HF7]A:705 |
x,y,z |
1_555 |
3 |
1 |
634 |
38.6 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.227 |
50 |
|
[MG]D:704 |
1 |
1 |
98 |
f |
[HF7]D:701 |
x,y,z |
1_555 |
3 |
1 |
634 |
38.5 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.227 |
51 |
|
[MG]B:704 |
1 |
1 |
98 |
f |
[HF7]B:703 |
x,y,z |
1_555 |
3 |
1 |
639 |
38.0 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.227 |
52 |
|
[MG]C:706 |
1 |
1 |
98 |
f |
[HF7]C:701 |
x,y,z |
1_555 |
3 |
1 |
634 |
37.9 |
-5.4 |
0.000 |
0 |
0 |
0 |
0.227 |
53 |
|
[MG]C:705 |
1 |
1 |
98 |
f |
[HF7]C:704 |
x,y,z |
1_555 |
3 |
1 |
627 |
28.1 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.227 |
54 |
|
[MG]A:704 |
1 |
1 |
98 |
f |
[HF7]A:703 |
x,y,z |
1_555 |
4 |
1 |
629 |
27.4 |
-3.6 |
0.000 |
0 |
0 |
0 |
0.227 |
55 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
[HF7]D:702 |
x,y,z |
1_555 |
4 |
1 |
629 |
27.2 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.227 |
56 |
|
[MG]A:701 |
1 |
1 |
98 |
f |
[HF7]B:701 |
x,y,z |
1_555 |
4 |
1 |
633 |
27.1 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.227 |
Average: |
32.8 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.227 |
22 |
57 |
|
[GTP]D:703 |
4 |
1 |
593 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
22382 |
37.4 |
1.5 |
0.740 |
2 |
0 |
0 |
0.000 |
58 |
|
[GTP]A:702 |
5 |
1 |
590 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22234 |
36.0 |
1.2 |
0.729 |
1 |
0 |
0 |
0.000 |
59 |
|
[GTP]C:703 |
5 |
1 |
592 |
◊ |
D |
x,y,z |
1_555 |
2 |
1 |
22155 |
35.9 |
1.1 |
0.709 |
2 |
0 |
0 |
0.000 |
60 |
|
[GTP]B:702 |
5 |
1 |
591 |
◊ |
A |
x,y,z |
1_555 |
2 |
1 |
22114 |
35.2 |
1.2 |
0.725 |
1 |
0 |
0 |
0.000 |
Average: |
36.1 |
1.2 |
0.726 |
2 |
0 |
0 |
0.000 |
23 |
61 |
|
[MG]C:705 |
1 |
1 |
98 |
f |
[GTP]D:703 |
x,y,z |
1_555 |
5 |
1 |
593 |
32.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.119 |
62 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
[GTP]C:703 |
x,y,z |
1_555 |
5 |
1 |
592 |
31.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.119 |
63 |
|
[MG]A:704 |
1 |
1 |
98 |
f |
[GTP]B:702 |
x,y,z |
1_555 |
5 |
1 |
591 |
31.1 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.119 |
64 |
|
[MG]A:701 |
1 |
1 |
98 |
f |
[GTP]A:702 |
x,y,z |
1_555 |
5 |
1 |
590 |
30.7 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.119 |
Average: |
31.3 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.119 |
24 |
65 |
|
[NA]C:707 |
1 |
1 |
125 |
f |
[HF7]C:701 |
x,y,z |
1_555 |
3 |
1 |
634 |
24.1 |
-2.2 |
0.000 |
0 |
0 |
0 |
0.022 |
25 |
66 |
|
[MG]C:705 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
22382 |
14.8 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
67 |
|
[MG]A:701 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
1 |
22234 |
13.3 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.008 |
68 |
|
[MG]C:702 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
1 |
1 |
22155 |
13.3 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.008 |
69 |
|
[MG]A:704 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
22114 |
12.7 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
13.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
26 |
70 |
|
[MG]A:704 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
3 |
1 |
22234 |
14.4 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.016 |
71 |
|
[MG]C:702 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
1 |
22382 |
14.1 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.016 |
72 |
|
[MG]C:705 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
3 |
1 |
22155 |
13.6 |
-0.7 |
0.000 |
0 |
0 |
0 |
0.016 |
73 |
|
[MG]A:701 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
1 |
22114 |
13.2 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.016 |
Average: |
13.8 |
-0.6 |
0.000 |
0 |
0 |
0 |
0.016 |
27 |
74 |
|
[MG]A:701 |
1 |
1 |
98 |
◊ |
D |
x,y,z |
1_555 |
2 |
2 |
22155 |
6.5 |
-0.5 |
0.000 |
0 |
0 |
0 |
0.008 |
75 |
|
[MG]A:704 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
22382 |
4.6 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
76 |
|
[MG]C:702 |
1 |
1 |
98 |
◊ |
B |
x,y,z |
1_555 |
2 |
2 |
22234 |
3.9 |
-0.4 |
0.000 |
0 |
0 |
0 |
0.008 |
77 |
|
[MG]C:705 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
22114 |
1.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.008 |
Average: |
4.1 |
-0.3 |
0.000 |
0 |
0 |
0 |
0.008 |
28 |
78 |
|
D |
1 |
1 |
22155 |
◊ |
C |
x-1,y,z |
1_455 |
1 |
1 |
22382 |
5.0 |
0.2 |
0.807 |
0 |
0 |
0 |
0.000 |
29 |
79 |
|
C |
2 |
2 |
22382 |
◊ |
A |
x-1,y,z-1 |
1_454 |
2 |
2 |
22114 |
3.8 |
-0.0 |
0.599 |
0 |
0 |
0 |
0.000 |
|