## |
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 |
509 |
141 |
32607 |
◊ |
A |
x,y,z |
1_555 |
503 |
142 |
32623 |
4866.8 |
-25.3 |
0.378 |
94 |
39 |
0 |
0.449 |
2 |
|
D |
496 |
140 |
32456 |
◊ |
C |
x,y,z |
1_555 |
496 |
140 |
32558 |
4797.7 |
-24.4 |
0.409 |
96 |
39 |
0 |
0.449 |
Average: |
4832.2 |
-24.9 |
0.394 |
95 |
39 |
0 |
0.449 |
2 |
3 |
|
C |
77 |
23 |
32558 |
◊ |
A |
x,y,z |
1_555 |
66 |
19 |
32623 |
592.8 |
6.5 |
0.961 |
17 |
14 |
0 |
0.000 |
3 |
4 |
|
B |
46 |
14 |
32607 |
◊ |
D |
x,y,z-1 |
1_554 |
47 |
17 |
32456 |
446.9 |
-3.3 |
0.384 |
5 |
3 |
0 |
0.000 |
4 |
5 |
|
A |
47 |
14 |
32623 |
◊ |
D |
x-1,y,z-1 |
1_454 |
43 |
15 |
32456 |
418.4 |
3.8 |
0.926 |
10 |
13 |
0 |
0.000 |
6 |
|
B |
33 |
10 |
32607 |
◊ |
C |
x-1,y-1,z-1 |
1_444 |
37 |
11 |
32558 |
309.1 |
4.8 |
0.953 |
9 |
11 |
0 |
0.000 |
Average: |
363.8 |
4.3 |
0.939 |
10 |
12 |
0 |
0.000 |
5 |
7 |
|
A |
40 |
13 |
32623 |
◊ |
B |
x-1,y,z |
1_455 |
45 |
14 |
32607 |
370.5 |
-2.4 |
0.459 |
3 |
1 |
0 |
0.000 |
6 |
8 |
|
[TPP]D:2001 |
25 |
1 |
595 |
f |
D |
x,y,z |
1_555 |
47 |
16 |
32456 |
319.6 |
-8.5 |
0.432 |
8 |
0 |
0 |
0.151 |
9 |
|
[TPP]C:2001 |
25 |
1 |
595 |
f |
C |
x,y,z |
1_555 |
46 |
15 |
32558 |
319.3 |
-8.4 |
0.411 |
9 |
0 |
0 |
0.151 |
10 |
|
[TPP]B:2001 |
25 |
1 |
594 |
f |
B |
x,y,z |
1_555 |
46 |
16 |
32607 |
318.5 |
-8.3 |
0.428 |
8 |
0 |
0 |
0.151 |
11 |
|
[TPP]A:2001 |
25 |
1 |
592 |
f |
A |
x,y,z |
1_555 |
47 |
16 |
32623 |
317.8 |
-8.6 |
0.411 |
8 |
0 |
0 |
0.151 |
Average: |
318.8 |
-8.5 |
0.421 |
8 |
0 |
0 |
0.151 |
7 |
12 |
|
D |
25 |
11 |
32456 |
◊ |
C |
x-1,y,z |
1_455 |
30 |
14 |
32558 |
257.8 |
3.0 |
0.878 |
7 |
4 |
0 |
0.000 |
8 |
13 |
|
C |
21 |
8 |
32558 |
x |
C |
x,y-1,z |
1_545 |
20 |
6 |
32558 |
205.7 |
2.3 |
0.670 |
3 |
5 |
0 |
0.000 |
14 |
|
A |
19 |
7 |
32623 |
x |
A |
x,y-1,z |
1_545 |
18 |
5 |
32623 |
173.4 |
0.7 |
0.528 |
2 |
2 |
0 |
0.000 |
Average: |
189.5 |
1.5 |
0.599 |
3 |
4 |
0 |
0.000 |
9 |
15 |
|
[MPD]D:2228 |
7 |
1 |
281 |
f |
D |
x,y,z |
1_555 |
25 |
9 |
32456 |
183.6 |
-10.2 |
0.849 |
2 |
0 |
0 |
0.136 |
16 |
|
[MPD]A:2228 |
7 |
1 |
282 |
f |
A |
x,y,z |
1_555 |
25 |
9 |
32623 |
181.9 |
-10.4 |
0.822 |
2 |
0 |
0 |
0.136 |
17 |
|
[MPD]C:2228 |
7 |
1 |
280 |
f |
C |
x,y,z |
1_555 |
25 |
9 |
32558 |
181.2 |
-10.2 |
0.822 |
2 |
0 |
0 |
0.136 |
Average: |
182.2 |
-10.3 |
0.831 |
2 |
0 |
0 |
0.136 |
10 |
18 |
|
[TPP]B:2001 |
20 |
1 |
594 |
◊ |
A |
x,y,z |
1_555 |
24 |
8 |
32623 |
182.8 |
2.0 |
0.622 |
0 |
0 |
0 |
0.000 |
19 |
|
[TPP]D:2001 |
20 |
1 |
595 |
◊ |
C |
x,y,z |
1_555 |
25 |
7 |
32558 |
180.9 |
1.9 |
0.593 |
0 |
0 |
0 |
0.000 |
20 |
|
[TPP]A:2001 |
20 |
1 |
592 |
◊ |
B |
x,y,z |
1_555 |
26 |
7 |
32607 |
180.5 |
1.7 |
0.563 |
0 |
0 |
0 |
0.000 |
21 |
|
[TPP]C:2001 |
20 |
1 |
595 |
◊ |
D |
x,y,z |
1_555 |
26 |
7 |
32456 |
180.5 |
1.9 |
0.631 |
0 |
0 |
0 |
0.000 |
Average: |
181.2 |
1.9 |
0.602 |
0 |
0 |
0 |
0.000 |
11 |
22 |
|
[MPD]B:2228 |
7 |
1 |
280 |
f |
B |
x,y,z |
1_555 |
25 |
9 |
32607 |
179.6 |
-9.8 |
0.858 |
2 |
0 |
0 |
0.066 |
12 |
23 |
|
B |
10 |
3 |
32607 |
x |
B |
x,y-1,z |
1_545 |
13 |
4 |
32607 |
89.8 |
0.5 |
0.724 |
1 |
2 |
0 |
0.000 |
24 |
|
D |
5 |
3 |
32456 |
x |
D |
x,y-1,z |
1_545 |
8 |
3 |
32456 |
72.0 |
1.2 |
0.860 |
1 |
2 |
0 |
0.000 |
Average: |
80.9 |
0.9 |
0.792 |
1 |
2 |
0 |
0.000 |
13 |
25 |
|
[CA]C:2003 |
1 |
1 |
85 |
f |
C |
x,y,z |
1_555 |
10 |
6 |
32558 |
43.1 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.154 |
26 |
|
[CA]D:2003 |
1 |
1 |
85 |
f |
D |
x,y,z |
1_555 |
7 |
5 |
32456 |
42.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.154 |
27 |
|
[CA]B:2003 |
1 |
1 |
85 |
f |
B |
x,y,z |
1_555 |
8 |
5 |
32607 |
42.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.154 |
28 |
|
[CA]A:2003 |
1 |
1 |
85 |
f |
A |
x,y,z |
1_555 |
6 |
4 |
32623 |
42.9 |
-12.5 |
0.000 |
0 |
0 |
0 |
0.154 |
Average: |
42.9 |
-12.4 |
0.000 |
0 |
0 |
0 |
0.154 |
14 |
29 |
|
[MG]A:2002 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
32623 |
37.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.073 |
30 |
|
[MG]B:2002 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
7 |
32607 |
37.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.073 |
31 |
|
[MG]C:2002 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
32558 |
37.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.073 |
32 |
|
[MG]D:2002 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
10 |
7 |
32456 |
37.7 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.073 |
Average: |
37.8 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.073 |
15 |
33 |
|
[MG]D:2002 |
1 |
1 |
98 |
f |
[TPP]D:2001 |
x,y,z |
1_555 |
5 |
1 |
595 |
32.5 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.063 |
34 |
|
[MG]B:2002 |
1 |
1 |
98 |
f |
[TPP]B:2001 |
x,y,z |
1_555 |
4 |
1 |
594 |
32.0 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.063 |
35 |
|
[MG]C:2002 |
1 |
1 |
98 |
f |
[TPP]C:2001 |
x,y,z |
1_555 |
4 |
1 |
595 |
31.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.063 |
36 |
|
[MG]A:2002 |
1 |
1 |
98 |
f |
[TPP]A:2001 |
x,y,z |
1_555 |
4 |
1 |
592 |
31.9 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.063 |
Average: |
32.1 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.063 |
16 |
37 |
|
B |
4 |
3 |
32607 |
◊ |
D |
x,y-1,z-1 |
1_544 |
1 |
1 |
32456 |
24.9 |
-0.8 |
0.137 |
0 |
0 |
0 |
0.000 |
|