## |
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 |
119 |
32 |
7694 |
◊ |
A |
x,y,z |
1_555 |
127 |
33 |
7565 |
1202.0 |
-16.3 |
0.103 |
16 |
0 |
0 |
0.172 |
2 |
|
C |
130 |
32 |
7623 |
◊ |
B |
x,y,z |
1_555 |
126 |
33 |
7538 |
1190.5 |
-15.7 |
0.080 |
14 |
0 |
0 |
0.172 |
3 |
|
F |
124 |
31 |
7571 |
◊ |
E |
x,y,z |
1_555 |
125 |
31 |
7537 |
1150.9 |
-16.1 |
0.136 |
16 |
2 |
0 |
0.172 |
Average: |
1181.1 |
-16.0 |
0.106 |
15 |
1 |
0 |
0.172 |
2 |
4 |
|
E |
81 |
24 |
7537 |
◊ |
D |
x,y,z |
1_555 |
78 |
23 |
7694 |
798.5 |
-10.6 |
0.169 |
8 |
0 |
0 |
0.107 |
5 |
|
F |
72 |
22 |
7571 |
◊ |
C |
x,y,z |
1_555 |
77 |
22 |
7623 |
783.6 |
-11.8 |
0.094 |
5 |
0 |
0 |
0.107 |
6 |
|
B |
72 |
22 |
7538 |
◊ |
A |
x,y,z |
1_555 |
77 |
22 |
7565 |
707.0 |
-9.5 |
0.144 |
5 |
0 |
0 |
0.107 |
Average: |
763.0 |
-10.6 |
0.136 |
6 |
0 |
0 |
0.107 |
3 |
7 |
|
[TMP]A:204 |
21 |
1 |
450 |
f |
A |
x,y,z |
1_555 |
48 |
17 |
7565 |
323.5 |
-1.8 |
0.659 |
8 |
0 |
0 |
0.095 |
8 |
|
[TMP]E:204 |
21 |
1 |
449 |
f |
E |
x,y,z |
1_555 |
46 |
16 |
7537 |
322.3 |
-2.0 |
0.634 |
9 |
0 |
0 |
0.095 |
9 |
|
[TMP]C:204 |
21 |
1 |
445 |
f |
C |
x,y,z |
1_555 |
48 |
17 |
7623 |
322.3 |
-2.6 |
0.567 |
9 |
0 |
0 |
0.095 |
10 |
|
[TMP]D:204 |
21 |
1 |
453 |
f |
D |
x,y,z |
1_555 |
48 |
18 |
7694 |
321.9 |
-2.2 |
0.624 |
7 |
0 |
0 |
0.095 |
11 |
|
[TMP]B:203 |
21 |
1 |
444 |
f |
B |
x,y,z |
1_555 |
46 |
17 |
7538 |
320.1 |
-2.5 |
0.566 |
9 |
0 |
0 |
0.095 |
12 |
|
[TMP]F:204 |
21 |
1 |
445 |
f |
F |
x,y,z |
1_555 |
44 |
17 |
7571 |
317.9 |
-2.4 |
0.597 |
8 |
0 |
0 |
0.095 |
Average: |
321.3 |
-2.2 |
0.608 |
8 |
0 |
0 |
0.095 |
4 |
13 |
|
[TTP]B:204 |
27 |
1 |
590 |
f |
B |
x,y,z |
1_555 |
40 |
14 |
7538 |
310.5 |
-0.8 |
0.686 |
6 |
0 |
0 |
0.043 |
14 |
|
[TTP]A:203 |
26 |
1 |
571 |
f |
A |
x,y,z |
1_555 |
41 |
13 |
7565 |
300.8 |
1.4 |
0.806 |
6 |
0 |
0 |
0.043 |
15 |
|
[TTP]E:203 |
26 |
1 |
587 |
f |
E |
x,y,z |
1_555 |
41 |
14 |
7537 |
299.2 |
-0.1 |
0.757 |
6 |
0 |
0 |
0.043 |
16 |
|
[TTP]F:203 |
27 |
1 |
580 |
f |
F |
x,y,z |
1_555 |
40 |
13 |
7571 |
293.2 |
0.3 |
0.787 |
6 |
0 |
0 |
0.043 |
17 |
|
[TTP]D:203 |
27 |
1 |
596 |
f |
D |
x,y,z |
1_555 |
42 |
14 |
7694 |
293.2 |
-0.2 |
0.723 |
6 |
0 |
0 |
0.043 |
18 |
|
[TTP]C:203 |
26 |
1 |
582 |
f |
C |
x,y,z |
1_555 |
42 |
13 |
7623 |
283.6 |
0.4 |
0.767 |
6 |
0 |
0 |
0.043 |
Average: |
296.8 |
0.2 |
0.754 |
6 |
0 |
0 |
0.043 |
5 |
19 |
|
B |
36 |
12 |
7538 |
◊ |
D |
-x+1/2,-y,z-1/2 |
2_554 |
34 |
10 |
7694 |
258.6 |
0.8 |
0.745 |
1 |
0 |
0 |
0.000 |
6 |
20 |
|
C |
31 |
10 |
7623 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
31 |
9 |
7565 |
251.8 |
1.0 |
0.776 |
3 |
0 |
0 |
0.000 |
7 |
21 |
|
C |
32 |
8 |
7623 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
32 |
8 |
7571 |
242.5 |
-5.7 |
0.127 |
0 |
0 |
0 |
0.000 |
8 |
22 |
|
B |
25 |
7 |
7538 |
◊ |
A |
x-1/2,-y-1/2,-z |
4_445 |
27 |
7 |
7565 |
198.4 |
-1.8 |
0.360 |
1 |
1 |
0 |
0.000 |
9 |
23 |
|
A |
27 |
12 |
7565 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
30 |
10 |
7537 |
197.1 |
2.2 |
0.858 |
0 |
1 |
0 |
0.000 |
10 |
24 |
|
F |
25 |
9 |
7571 |
◊ |
D |
x-1,y,z |
1_455 |
22 |
7 |
7694 |
168.8 |
-0.2 |
0.658 |
0 |
1 |
0 |
0.000 |
11 |
25 |
|
B |
18 |
8 |
7538 |
◊ |
F |
-x-1/2,-y,z-1/2 |
2_454 |
18 |
4 |
7571 |
154.5 |
-0.5 |
0.571 |
1 |
0 |
0 |
0.000 |
26 |
|
C |
19 |
4 |
7623 |
◊ |
E |
-x-1/2,-y,z-1/2 |
2_454 |
17 |
7 |
7537 |
149.9 |
-0.2 |
0.627 |
0 |
0 |
0 |
0.000 |
Average: |
152.2 |
-0.3 |
0.599 |
1 |
0 |
0 |
0.000 |
12 |
27 |
|
B |
17 |
6 |
7538 |
◊ |
E |
-x+1/2,-y,z-1/2 |
2_554 |
17 |
6 |
7537 |
129.3 |
1.1 |
0.783 |
3 |
2 |
0 |
0.000 |
13 |
28 |
|
F |
14 |
7 |
7571 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
7 |
7694 |
107.8 |
-0.4 |
0.589 |
1 |
0 |
0 |
0.000 |
14 |
29 |
|
[TTP]A:203 |
9 |
1 |
571 |
◊ |
B |
x,y,z |
1_555 |
9 |
5 |
7538 |
101.9 |
-0.8 |
0.519 |
3 |
0 |
0 |
0.033 |
30 |
|
[TTP]B:204 |
11 |
1 |
590 |
◊ |
A |
x,y,z |
1_555 |
9 |
5 |
7565 |
101.2 |
-1.3 |
0.571 |
2 |
0 |
0 |
0.033 |
31 |
|
[TTP]D:203 |
9 |
1 |
596 |
◊ |
E |
x,y,z |
1_555 |
8 |
4 |
7537 |
79.8 |
0.2 |
0.654 |
1 |
0 |
0 |
0.033 |
32 |
|
[TTP]F:203 |
9 |
1 |
580 |
◊ |
C |
x,y,z |
1_555 |
7 |
4 |
7623 |
78.7 |
-1.3 |
0.528 |
1 |
0 |
0 |
0.033 |
Average: |
90.4 |
-0.8 |
0.568 |
2 |
0 |
0 |
0.033 |
15 |
33 |
|
B |
12 |
2 |
7538 |
◊ |
D |
x-1/2,-y-1/2,-z |
4_445 |
12 |
3 |
7694 |
96.6 |
-2.2 |
0.219 |
0 |
0 |
0 |
0.000 |
16 |
34 |
|
B |
14 |
5 |
7538 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
11 |
2 |
7565 |
86.1 |
-1.3 |
0.370 |
0 |
0 |
0 |
0.000 |
17 |
35 |
|
C |
10 |
4 |
7623 |
◊ |
A |
x-1/2,-y+1/2,-z |
4_455 |
7 |
3 |
7565 |
83.1 |
-0.6 |
0.512 |
0 |
0 |
0 |
0.000 |
18 |
36 |
|
[TTP]E:203 |
10 |
1 |
587 |
◊ |
D |
x,y,z |
1_555 |
7 |
4 |
7694 |
82.5 |
-1.7 |
0.481 |
3 |
0 |
0 |
0.023 |
37 |
|
[TTP]C:203 |
4 |
1 |
582 |
◊ |
F |
x,y,z |
1_555 |
4 |
3 |
7571 |
31.1 |
-0.9 |
0.371 |
0 |
0 |
0 |
0.023 |
Average: |
56.8 |
-1.3 |
0.426 |
2 |
0 |
0 |
0.023 |
19 |
38 |
|
C |
8 |
2 |
7623 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
9 |
3 |
7694 |
65.1 |
-1.0 |
0.364 |
0 |
2 |
0 |
0.000 |
20 |
39 |
|
C |
9 |
5 |
7623 |
◊ |
A |
x-1,y,z |
1_455 |
13 |
5 |
7565 |
64.2 |
0.2 |
0.633 |
0 |
0 |
0 |
0.000 |
21 |
40 |
|
C |
8 |
2 |
7623 |
◊ |
E |
-x,y-1/2,-z+1/2 |
3_545 |
7 |
3 |
7537 |
59.0 |
1.5 |
0.853 |
1 |
2 |
0 |
0.000 |
22 |
41 |
|
B |
9 |
2 |
7538 |
◊ |
D |
x-1/2,-y+1/2,-z |
4_455 |
5 |
1 |
7694 |
55.0 |
0.5 |
0.664 |
1 |
0 |
0 |
0.000 |
23 |
42 |
|
[CL]E:205 |
1 |
1 |
125 |
◊ |
F |
x,y,z |
1_555 |
10 |
6 |
7571 |
48.1 |
-6.5 |
0.000 |
0 |
0 |
0 |
0.083 |
43 |
|
[CL]B:205 |
1 |
1 |
125 |
◊ |
B |
x,y,z |
1_555 |
9 |
6 |
7538 |
47.2 |
-6.3 |
0.000 |
0 |
0 |
0 |
0.083 |
44 |
|
[CL]A:205 |
1 |
1 |
125 |
◊ |
A |
x,y,z |
1_555 |
11 |
6 |
7565 |
46.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.083 |
45 |
|
[CL]A:205 |
1 |
1 |
125 |
◊ |
D |
x,y,z |
1_555 |
10 |
6 |
7694 |
46.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.083 |
46 |
|
[CL]B:205 |
1 |
1 |
125 |
◊ |
C |
x,y,z |
1_555 |
11 |
7 |
7623 |
46.4 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.083 |
47 |
|
[CL]E:205 |
1 |
1 |
125 |
◊ |
E |
x,y,z |
1_555 |
10 |
6 |
7537 |
46.1 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.083 |
Average: |
46.9 |
-6.2 |
0.000 |
0 |
0 |
0 |
0.083 |
24 |
48 |
|
[MG]D:202 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
11 |
6 |
7694 |
44.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.073 |
49 |
|
[MG]A:202 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
7565 |
42.9 |
-4.9 |
0.000 |
0 |
0 |
0 |
0.073 |
50 |
|
[MG]C:202 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
11 |
6 |
7623 |
42.6 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.073 |
51 |
|
[MG]F:202 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
10 |
6 |
7571 |
42.2 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.073 |
52 |
|
[MG]B:202 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
11 |
6 |
7538 |
41.5 |
-4.5 |
0.000 |
0 |
0 |
0 |
0.073 |
53 |
|
[MG]E:202 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
10 |
6 |
7537 |
41.0 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
42.4 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.073 |
25 |
54 |
|
[TTP]F:203 |
3 |
1 |
580 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
3 |
7694 |
41.5 |
0.3 |
0.600 |
0 |
0 |
0 |
0.000 |
26 |
55 |
|
[ZN]B:201 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
6 |
3 |
7538 |
40.5 |
-31.2 |
0.000 |
0 |
0 |
0 |
0.475 |
56 |
|
[ZN]D:201 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
5 |
3 |
7694 |
40.1 |
-30.2 |
0.000 |
0 |
0 |
0 |
0.475 |
57 |
|
[ZN]E:201 |
1 |
1 |
98 |
f |
E |
x,y,z |
1_555 |
3 |
3 |
7537 |
39.8 |
-31.5 |
0.000 |
0 |
0 |
0 |
0.475 |
58 |
|
[ZN]C:201 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
3 |
3 |
7623 |
39.3 |
-31.0 |
0.000 |
0 |
0 |
0 |
0.475 |
59 |
|
[ZN]A:201 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
7565 |
38.9 |
-30.7 |
0.000 |
0 |
0 |
0 |
0.475 |
60 |
|
[ZN]F:201 |
1 |
1 |
98 |
f |
F |
x,y,z |
1_555 |
2 |
2 |
7571 |
38.4 |
-30.6 |
0.000 |
0 |
0 |
0 |
0.475 |
Average: |
39.5 |
-30.8 |
0.000 |
0 |
0 |
0 |
0.475 |
27 |
61 |
|
[TTP]D:203 |
7 |
1 |
596 |
f |
[MG]D:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.9 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.079 |
62 |
|
[TTP]C:203 |
5 |
1 |
582 |
f |
[MG]C:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.7 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.079 |
63 |
|
[TTP]F:203 |
4 |
1 |
580 |
f |
[MG]F:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
35.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.079 |
64 |
|
[TTP]A:203 |
5 |
1 |
571 |
f |
[MG]A:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.8 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.079 |
65 |
|
[TTP]E:203 |
5 |
1 |
587 |
f |
[MG]E:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.1 |
-4.7 |
0.000 |
0 |
0 |
0 |
0.079 |
66 |
|
[TTP]B:204 |
5 |
1 |
590 |
f |
[MG]B:202 |
x,y,z |
1_555 |
1 |
1 |
98 |
33.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.079 |
Average: |
34.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.079 |
28 |
67 |
|
[TTP]F:203 |
8 |
1 |
580 |
◊ |
E |
x,y,z |
1_555 |
3 |
1 |
7537 |
35.1 |
0.8 |
0.794 |
1 |
0 |
0 |
0.000 |
68 |
|
[TTP]B:204 |
7 |
1 |
590 |
◊ |
C |
x,y,z |
1_555 |
3 |
1 |
7623 |
34.9 |
1.1 |
0.813 |
1 |
0 |
0 |
0.000 |
69 |
|
[TTP]E:203 |
6 |
1 |
587 |
◊ |
F |
x,y,z |
1_555 |
3 |
1 |
7571 |
34.2 |
1.0 |
0.793 |
1 |
0 |
0 |
0.000 |
70 |
|
[TTP]C:203 |
4 |
1 |
582 |
◊ |
B |
x,y,z |
1_555 |
3 |
1 |
7538 |
32.8 |
0.8 |
0.769 |
1 |
0 |
0 |
0.000 |
71 |
|
[TTP]A:203 |
6 |
1 |
571 |
◊ |
D |
x,y,z |
1_555 |
3 |
1 |
7694 |
31.8 |
0.8 |
0.772 |
1 |
0 |
0 |
0.000 |
72 |
|
[TTP]D:203 |
5 |
1 |
596 |
◊ |
A |
x,y,z |
1_555 |
3 |
1 |
7565 |
30.4 |
0.8 |
0.760 |
1 |
0 |
0 |
0.000 |
Average: |
33.2 |
0.9 |
0.783 |
1 |
0 |
0 |
0.000 |
29 |
73 |
|
C |
7 |
3 |
7623 |
◊ |
[TTP]A:203 |
x-1/2,-y+1/2,-z |
4_455 |
2 |
1 |
571 |
27.9 |
-0.3 |
0.505 |
0 |
0 |
0 |
0.000 |
30 |
74 |
|
[TMP]D:204 |
5 |
1 |
453 |
f |
[ZN]D:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
22.4 |
-9.0 |
0.000 |
0 |
0 |
0 |
0.128 |
75 |
|
[TMP]F:204 |
5 |
1 |
445 |
f |
[ZN]F:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.8 |
-8.6 |
0.000 |
0 |
0 |
0 |
0.128 |
76 |
|
[TMP]A:204 |
5 |
1 |
450 |
f |
[ZN]A:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
21.3 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.128 |
77 |
|
[TMP]C:204 |
5 |
1 |
445 |
f |
[ZN]C:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.8 |
-8.1 |
0.000 |
0 |
0 |
0 |
0.128 |
78 |
|
[TMP]B:203 |
5 |
1 |
444 |
f |
[ZN]B:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
20.1 |
-7.9 |
0.000 |
0 |
0 |
0 |
0.128 |
79 |
|
[TMP]E:204 |
6 |
1 |
449 |
f |
[ZN]E:201 |
x,y,z |
1_555 |
1 |
1 |
98 |
19.2 |
-7.5 |
0.000 |
0 |
0 |
0 |
0.128 |
Average: |
20.9 |
-8.3 |
0.000 |
0 |
0 |
0 |
0.128 |
31 |
80 |
|
E |
6 |
4 |
7537 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
4 |
7571 |
19.8 |
0.2 |
0.654 |
0 |
0 |
0 |
0.000 |
32 |
81 |
|
[TTP]C:203 |
1 |
1 |
582 |
◊ |
[TTP]A:203 |
x-1/2,-y+1/2,-z |
4_455 |
3 |
1 |
571 |
16.2 |
0.4 |
0.572 |
0 |
0 |
0 |
0.000 |
33 |
82 |
|
D |
2 |
1 |
7694 |
x |
D |
-x+1,y-1/2,-z+1/2 |
3_645 |
2 |
1 |
7694 |
6.4 |
-0.1 |
0.544 |
0 |
0 |
0 |
0.000 |
34 |
83 |
|
[MG]B:202 |
1 |
1 |
98 |
◊ |
A |
x,y,z |
1_555 |
1 |
1 |
7565 |
3.4 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.000 |
84 |
|
[MG]D:202 |
1 |
1 |
98 |
◊ |
E |
x,y,z |
1_555 |
1 |
1 |
7537 |
1.2 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
Average: |
2.3 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
35 |
85 |
|
[TTP]D:203 |
1 |
1 |
596 |
◊ |
F |
-x,y-1/2,-z+1/2 |
3_545 |
1 |
1 |
7571 |
0.5 |
0.0 |
0.530 |
0 |
0 |
0 |
0.000 |
|