## |
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 |
444 |
111 |
21920 |
◊ |
D |
y,x,-z |
4_555 |
437 |
111 |
21920 |
3970.6 |
-44.1 |
0.027 |
15 |
12 |
0 |
0.573 |
2 |
|
C |
446 |
111 |
22018 |
◊ |
C |
-x,-x+y,-z-1/3 |
6_554 |
446 |
111 |
22018 |
3944.8 |
-45.8 |
0.016 |
16 |
20 |
0 |
0.573 |
3 |
|
A |
445 |
110 |
21908 |
◊ |
A |
-x,-x+y,-z-1/3 |
6_554 |
441 |
110 |
21908 |
3917.0 |
-42.6 |
0.039 |
17 |
14 |
0 |
0.573 |
4 |
|
B |
444 |
109 |
21899 |
◊ |
B |
y,x,-z |
4_555 |
442 |
108 |
21899 |
3895.3 |
-42.7 |
0.030 |
14 |
10 |
0 |
0.573 |
Average: |
3931.9 |
-43.8 |
0.028 |
16 |
14 |
0 |
0.573 |
2 |
5 |
|
D |
128 |
40 |
21920 |
◊ |
B |
x,y,z |
1_555 |
123 |
40 |
21899 |
1094.7 |
-10.3 |
0.249 |
1 |
0 |
0 |
0.113 |
6 |
|
C |
117 |
37 |
22018 |
◊ |
A |
x,y,z |
1_555 |
113 |
40 |
21908 |
997.2 |
-11.1 |
0.182 |
2 |
0 |
0 |
0.113 |
Average: |
1045.9 |
-10.7 |
0.216 |
2 |
0 |
0 |
0.113 |
3 |
7 |
|
C |
50 |
14 |
22018 |
◊ |
B |
x,y-1,z |
1_545 |
49 |
13 |
21899 |
379.4 |
-0.3 |
0.688 |
0 |
4 |
0 |
0.000 |
4 |
8 |
|
D |
39 |
14 |
21920 |
◊ |
B |
y,x,-z |
4_555 |
41 |
14 |
21899 |
369.3 |
-1.8 |
0.520 |
0 |
0 |
0 |
0.017 |
9 |
|
C |
33 |
14 |
22018 |
◊ |
A |
-x,-x+y,-z-1/3 |
6_554 |
34 |
13 |
21908 |
261.3 |
-0.8 |
0.592 |
0 |
0 |
0 |
0.017 |
Average: |
315.3 |
-1.3 |
0.556 |
0 |
0 |
0 |
0.017 |
5 |
10 |
|
[TPP]D:602 |
26 |
1 |
605 |
f |
D |
x,y,z |
1_555 |
48 |
23 |
21920 |
321.5 |
-8.6 |
0.386 |
7 |
0 |
0 |
0.247 |
11 |
|
[TPP]A:602 |
25 |
1 |
602 |
f |
A |
x,y,z |
1_555 |
47 |
22 |
21908 |
321.3 |
-8.4 |
0.382 |
6 |
0 |
0 |
0.247 |
12 |
|
[TPP]B:602 |
26 |
1 |
603 |
f |
B |
x,y,z |
1_555 |
47 |
21 |
21899 |
320.8 |
-8.5 |
0.379 |
4 |
0 |
0 |
0.247 |
13 |
|
[TPP]C:602 |
25 |
1 |
603 |
f |
C |
x,y,z |
1_555 |
50 |
22 |
22018 |
315.7 |
-8.8 |
0.364 |
6 |
0 |
0 |
0.247 |
Average: |
319.8 |
-8.6 |
0.378 |
6 |
0 |
0 |
0.247 |
6 |
14 |
|
B |
31 |
9 |
21899 |
◊ |
A |
x,y,z |
1_555 |
34 |
9 |
21908 |
254.9 |
1.7 |
0.818 |
0 |
0 |
0 |
0.000 |
7 |
15 |
|
C |
27 |
12 |
22018 |
◊ |
D |
-x-1,-x+y-1,-z-1/3 |
6_444 |
34 |
12 |
21920 |
252.8 |
1.0 |
0.773 |
0 |
0 |
0 |
0.000 |
8 |
16 |
|
D |
26 |
7 |
21920 |
◊ |
A |
x,y,z |
1_555 |
22 |
8 |
21908 |
230.7 |
1.7 |
0.825 |
2 |
3 |
0 |
0.000 |
9 |
17 |
|
D |
31 |
11 |
21920 |
◊ |
C |
x-1,y,z |
1_455 |
18 |
5 |
22018 |
222.0 |
-0.5 |
0.577 |
1 |
1 |
0 |
0.000 |
10 |
18 |
|
D |
19 |
5 |
21920 |
◊ |
A |
x-1,y-1,z |
1_445 |
14 |
4 |
21908 |
156.1 |
-2.3 |
0.275 |
0 |
0 |
0 |
0.000 |
11 |
19 |
|
[TPP]D:602 |
13 |
1 |
605 |
◊ |
D |
y,x,-z |
4_555 |
22 |
9 |
21920 |
134.4 |
1.6 |
0.778 |
0 |
0 |
0 |
0.000 |
20 |
|
[TPP]C:602 |
13 |
1 |
603 |
◊ |
C |
-x,-x+y,-z-1/3 |
6_554 |
23 |
10 |
22018 |
133.7 |
1.8 |
0.780 |
0 |
0 |
0 |
0.000 |
21 |
|
[TPP]B:602 |
13 |
1 |
603 |
◊ |
B |
y,x,-z |
4_555 |
22 |
9 |
21899 |
132.3 |
1.6 |
0.790 |
0 |
0 |
0 |
0.000 |
22 |
|
[TPP]A:602 |
12 |
1 |
602 |
◊ |
A |
-x,-x+y,-z-1/3 |
6_554 |
21 |
9 |
21908 |
131.8 |
1.4 |
0.778 |
0 |
0 |
0 |
0.000 |
Average: |
133.1 |
1.6 |
0.781 |
0 |
0 |
0 |
0.000 |
12 |
23 |
|
D |
16 |
4 |
21920 |
◊ |
C |
x,y,z |
1_555 |
18 |
6 |
22018 |
121.5 |
-1.1 |
0.368 |
0 |
0 |
0 |
0.000 |
13 |
24 |
|
[PEG]C:603 |
7 |
1 |
263 |
◊ |
C |
x,y,z |
1_555 |
13 |
5 |
22018 |
95.6 |
1.2 |
0.164 |
0 |
0 |
0 |
0.000 |
14 |
25 |
|
D |
15 |
5 |
21920 |
◊ |
A |
x-1,y,z |
1_455 |
15 |
5 |
21908 |
86.7 |
-0.7 |
0.529 |
0 |
0 |
0 |
0.000 |
15 |
26 |
|
B |
13 |
7 |
21899 |
◊ |
A |
y,x,-z |
4_555 |
16 |
8 |
21908 |
81.7 |
-1.1 |
0.449 |
0 |
0 |
0 |
0.000 |
16 |
27 |
|
[PEG]C:603 |
6 |
1 |
263 |
f |
A |
x,y,z |
1_555 |
11 |
4 |
21908 |
78.8 |
0.9 |
0.177 |
0 |
0 |
0 |
0.000 |
17 |
28 |
|
C |
6 |
3 |
22018 |
◊ |
A |
x,y-1,z |
1_545 |
4 |
2 |
21908 |
46.2 |
0.7 |
0.780 |
0 |
0 |
0 |
0.000 |
29 |
|
D |
3 |
2 |
21920 |
◊ |
B |
x-1,y-1,z |
1_445 |
2 |
2 |
21899 |
15.5 |
0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
Average: |
30.9 |
0.4 |
0.727 |
0 |
0 |
0 |
0.000 |
18 |
30 |
|
[MG]C:601 |
1 |
1 |
98 |
f |
C |
x,y,z |
1_555 |
10 |
7 |
22018 |
36.8 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.136 |
31 |
|
[MG]D:601 |
1 |
1 |
98 |
f |
D |
x,y,z |
1_555 |
9 |
7 |
21920 |
36.2 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.136 |
32 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
7 |
21899 |
35.8 |
-6.1 |
0.000 |
0 |
0 |
0 |
0.136 |
33 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
6 |
5 |
21908 |
34.6 |
-5.9 |
0.000 |
0 |
0 |
0 |
0.136 |
Average: |
35.9 |
-6.0 |
0.000 |
0 |
0 |
0 |
0.136 |
19 |
34 |
|
[TPP]B:602 |
3 |
1 |
603 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.4 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.113 |
35 |
|
[TPP]C:602 |
3 |
1 |
603 |
f |
[MG]C:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.113 |
36 |
|
[TPP]A:602 |
4 |
1 |
602 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.1 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.113 |
37 |
|
[TPP]D:602 |
3 |
1 |
605 |
f |
[MG]D:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
30.9 |
-5.0 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
31.2 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.113 |
|