## |
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 |
135 |
40 |
22787 |
◊ |
A |
x,y,z |
1_555 |
138 |
42 |
23013 |
1334.9 |
3.6 |
0.929 |
23 |
24 |
0 |
0.078 |
2 |
2 |
|
D |
98 |
11 |
3339 |
◊ |
A |
x,y,z |
1_555 |
109 |
33 |
23013 |
952.8 |
-17.0 |
0.375 |
22 |
0 |
0 |
0.471 |
3 |
|
T |
97 |
10 |
3357 |
◊ |
B |
x,y,z |
1_555 |
105 |
34 |
22787 |
935.5 |
-16.1 |
0.392 |
19 |
0 |
0 |
0.471 |
Average: |
944.1 |
-16.6 |
0.384 |
21 |
0 |
0 |
0.471 |
3 |
4 |
|
P |
71 |
9 |
2233 |
◊ |
B |
x,y,z |
1_555 |
71 |
28 |
22787 |
646.2 |
-14.6 |
0.268 |
18 |
0 |
0 |
0.529 |
5 |
|
C |
65 |
9 |
2241 |
◊ |
A |
x,y,z |
1_555 |
70 |
29 |
23013 |
619.7 |
-14.9 |
0.217 |
21 |
0 |
0 |
0.529 |
Average: |
632.9 |
-14.8 |
0.242 |
20 |
0 |
0 |
0.529 |
4 |
6 |
|
T |
40 |
10 |
3357 |
◊ |
P |
x,y,z |
1_555 |
45 |
9 |
2233 |
413.1 |
-1.2 |
0.713 |
18 |
0 |
0 |
0.440 |
7 |
|
D |
38 |
10 |
3339 |
◊ |
C |
x,y,z |
1_555 |
42 |
9 |
2241 |
404.0 |
-1.0 |
0.722 |
19 |
0 |
0 |
0.440 |
Average: |
408.6 |
-1.1 |
0.718 |
19 |
0 |
0 |
0.440 |
5 |
8 |
|
[0KX]B:602 |
26 |
1 |
557 |
f |
B |
x,y,z |
1_555 |
44 |
17 |
22787 |
273.4 |
0.1 |
0.609 |
9 |
0 |
0 |
0.091 |
9 |
|
[0KX]A:604 |
26 |
1 |
549 |
f |
A |
x,y,z |
1_555 |
45 |
17 |
23013 |
266.4 |
-0.0 |
0.569 |
10 |
0 |
0 |
0.091 |
Average: |
269.9 |
0.0 |
0.589 |
10 |
0 |
0 |
0.091 |
6 |
10 |
|
A |
29 |
12 |
23013 |
◊ |
B |
-x-1/2,-y-1,z-1/2 |
2_444 |
30 |
8 |
22787 |
272.3 |
-1.7 |
0.512 |
5 |
4 |
0 |
0.000 |
7 |
11 |
|
D |
22 |
2 |
3339 |
◊ |
B |
x,y,z |
1_555 |
28 |
11 |
22787 |
199.7 |
-1.2 |
0.666 |
3 |
0 |
0 |
0.042 |
12 |
|
T |
21 |
2 |
3357 |
◊ |
A |
x,y,z |
1_555 |
27 |
11 |
23013 |
191.9 |
-1.2 |
0.610 |
4 |
0 |
0 |
0.042 |
Average: |
195.8 |
-1.2 |
0.638 |
4 |
0 |
0 |
0.042 |
8 |
13 |
|
A |
14 |
7 |
23013 |
x |
A |
x-1/2,-y-1/2,-z |
4_445 |
22 |
6 |
23013 |
168.2 |
-0.3 |
0.606 |
0 |
0 |
0 |
0.000 |
9 |
14 |
|
P |
17 |
1 |
2233 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
13 |
1 |
3339 |
124.9 |
2.0 |
0.778 |
1 |
0 |
0 |
0.000 |
10 |
15 |
|
T |
13 |
1 |
3357 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
16 |
1 |
2241 |
123.3 |
2.1 |
0.777 |
1 |
0 |
0 |
0.000 |
11 |
16 |
|
[PEG]T:601 |
7 |
1 |
264 |
◊ |
T |
x,y,z |
1_555 |
17 |
3 |
3357 |
99.6 |
4.5 |
0.373 |
0 |
0 |
0 |
0.000 |
12 |
17 |
|
[PEG]D:601 |
7 |
1 |
258 |
◊ |
D |
x,y,z |
1_555 |
18 |
3 |
3339 |
98.7 |
4.7 |
0.466 |
0 |
0 |
0 |
0.000 |
13 |
18 |
|
[0KX]B:602 |
13 |
1 |
557 |
◊ |
P |
x,y,z |
1_555 |
12 |
1 |
2233 |
95.3 |
1.4 |
0.616 |
0 |
0 |
0 |
0.000 |
19 |
|
[0KX]A:604 |
14 |
1 |
549 |
◊ |
C |
x,y,z |
1_555 |
14 |
1 |
2241 |
87.6 |
1.3 |
0.604 |
0 |
0 |
0 |
0.000 |
Average: |
91.4 |
1.3 |
0.610 |
0 |
0 |
0 |
0.000 |
14 |
20 |
|
[CPT]D:602 |
3 |
1 |
189 |
f |
D |
x,y,z |
1_555 |
10 |
3 |
3339 |
82.9 |
-12.1 |
0.568 |
0 |
0 |
0 |
0.566 |
21 |
|
[CPT]T:602 |
3 |
1 |
189 |
f |
T |
x,y,z |
1_555 |
9 |
3 |
3357 |
81.1 |
-11.9 |
0.575 |
0 |
0 |
0 |
0.566 |
Average: |
82.0 |
-12.0 |
0.571 |
0 |
0 |
0 |
0.566 |
15 |
22 |
|
A |
11 |
3 |
23013 |
◊ |
B |
-x-1/2,-y,z-1/2 |
2_454 |
9 |
3 |
22787 |
80.9 |
0.1 |
0.657 |
0 |
0 |
0 |
0.000 |
16 |
23 |
|
[0KX]B:602 |
5 |
1 |
557 |
◊ |
T |
x,y,z |
1_555 |
9 |
2 |
3357 |
59.1 |
-0.3 |
0.544 |
3 |
0 |
0 |
0.031 |
24 |
|
[0KX]A:604 |
5 |
1 |
549 |
◊ |
D |
x,y,z |
1_555 |
7 |
2 |
3339 |
53.6 |
-0.4 |
0.513 |
3 |
0 |
0 |
0.031 |
Average: |
56.4 |
-0.3 |
0.528 |
3 |
0 |
0 |
0.031 |
17 |
25 |
|
[MG]P:101 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
9 |
6 |
22787 |
43.7 |
-7.0 |
0.000 |
0 |
0 |
0 |
0.164 |
26 |
|
[MG]A:602 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
10 |
7 |
23013 |
43.4 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.164 |
Average: |
43.5 |
-7.1 |
0.000 |
0 |
0 |
0 |
0.164 |
18 |
27 |
|
[PEG]D:601 |
4 |
1 |
258 |
f |
[0KX]A:604 |
x,y,z |
1_555 |
8 |
1 |
549 |
40.2 |
1.5 |
0.315 |
0 |
0 |
0 |
0.000 |
19 |
28 |
|
[PEG]T:601 |
5 |
1 |
264 |
f |
[0KX]B:602 |
x,y,z |
1_555 |
6 |
1 |
557 |
39.9 |
1.7 |
0.261 |
0 |
0 |
0 |
0.000 |
20 |
29 |
|
T |
4 |
1 |
3357 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
4 |
1 |
3339 |
39.6 |
1.4 |
0.741 |
0 |
0 |
0 |
0.000 |
21 |
30 |
|
[PEG]D:601 |
3 |
1 |
258 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
2241 |
35.8 |
0.3 |
0.251 |
0 |
0 |
0 |
0.000 |
22 |
31 |
|
[MG]B:601 |
1 |
1 |
98 |
f |
B |
x,y,z |
1_555 |
10 |
6 |
22787 |
34.6 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.113 |
32 |
|
[MG]A:601 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
11 |
6 |
23013 |
31.5 |
-4.4 |
0.000 |
0 |
0 |
0 |
0.113 |
Average: |
33.0 |
-4.6 |
0.000 |
0 |
0 |
0 |
0.113 |
23 |
33 |
|
[0KX]B:602 |
4 |
1 |
557 |
f |
[MG]B:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
34.1 |
-5.3 |
0.000 |
0 |
0 |
0 |
0.124 |
34 |
|
[0KX]A:604 |
4 |
1 |
549 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
31.3 |
-4.8 |
0.000 |
0 |
0 |
0 |
0.124 |
Average: |
32.7 |
-5.1 |
0.000 |
0 |
0 |
0 |
0.124 |
24 |
35 |
|
[PEG]T:601 |
2 |
1 |
264 |
◊ |
P |
x,y,z |
1_555 |
6 |
1 |
2233 |
33.0 |
1.3 |
0.464 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
[PEG]T:601 |
3 |
1 |
264 |
f |
B |
x,y,z |
1_555 |
5 |
3 |
22787 |
31.6 |
0.6 |
0.308 |
0 |
0 |
0 |
0.000 |
26 |
37 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
A |
x,y,z |
1_555 |
7 |
4 |
23013 |
28.9 |
-3.5 |
0.000 |
0 |
0 |
0 |
0.061 |
27 |
38 |
|
[MG]P:101 |
1 |
1 |
98 |
◊ |
P |
x,y,z |
1_555 |
2 |
1 |
2233 |
27.6 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.096 |
39 |
|
[MG]A:602 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
2 |
1 |
2241 |
27.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.096 |
Average: |
27.5 |
-4.1 |
0.000 |
0 |
0 |
0 |
0.096 |
28 |
40 |
|
[PEG]D:601 |
5 |
1 |
258 |
f |
A |
x,y,z |
1_555 |
3 |
3 |
23013 |
27.3 |
0.2 |
0.177 |
0 |
0 |
0 |
0.000 |
29 |
41 |
|
[MG]A:603 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
6 |
1 |
2241 |
27.2 |
-2.9 |
0.000 |
0 |
0 |
0 |
0.051 |
30 |
42 |
|
[0KX]A:604 |
5 |
1 |
549 |
f |
[MG]A:603 |
x,y,z |
1_555 |
1 |
1 |
98 |
25.6 |
-3.4 |
0.000 |
0 |
0 |
0 |
0.059 |
31 |
43 |
|
B |
2 |
1 |
22787 |
◊ |
A |
-x-1,y-1/2,-z+1/2 |
3_445 |
3 |
1 |
23013 |
24.9 |
0.5 |
0.829 |
1 |
1 |
0 |
0.000 |
32 |
44 |
|
P |
5 |
2 |
2233 |
◊ |
C |
-x,y-1/2,-z+1/2 |
3_545 |
6 |
2 |
2241 |
24.8 |
-1.1 |
0.452 |
0 |
0 |
0 |
0.000 |
33 |
45 |
|
[CPT]D:602 |
2 |
1 |
189 |
◊ |
C |
x,y,z |
1_555 |
2 |
2 |
2241 |
12.9 |
-0.1 |
0.754 |
0 |
0 |
0 |
0.004 |
46 |
|
[CPT]T:602 |
2 |
1 |
189 |
◊ |
P |
x,y,z |
1_555 |
2 |
2 |
2233 |
9.3 |
0.1 |
0.713 |
0 |
0 |
0 |
0.004 |
Average: |
11.1 |
0.0 |
0.733 |
0 |
0 |
0 |
0.004 |
34 |
47 |
|
T |
2 |
1 |
3357 |
◊ |
A |
-x,y-1/2,-z+1/2 |
3_545 |
3 |
2 |
23013 |
12.4 |
-0.2 |
0.450 |
0 |
0 |
0 |
0.000 |
35 |
48 |
|
[CPT]D:602 |
2 |
1 |
189 |
◊ |
A |
x,y,z |
1_555 |
3 |
3 |
23013 |
11.0 |
-0.0 |
0.749 |
0 |
0 |
0 |
0.000 |
36 |
49 |
|
[CPT]T:602 |
2 |
1 |
189 |
◊ |
B |
x,y,z |
1_555 |
4 |
4 |
22787 |
10.5 |
0.1 |
0.818 |
0 |
0 |
0 |
0.000 |
37 |
50 |
|
B |
2 |
2 |
22787 |
◊ |
D |
-x,y-1/2,-z+1/2 |
3_545 |
2 |
1 |
3339 |
9.3 |
-0.2 |
0.444 |
0 |
0 |
0 |
0.000 |
38 |
51 |
|
[MG]A:603 |
1 |
1 |
98 |
f |
[MG]A:601 |
x,y,z |
1_555 |
1 |
1 |
98 |
9.2 |
-1.8 |
0.000 |
0 |
0 |
0 |
0.032 |
39 |
52 |
|
[MG]A:601 |
1 |
1 |
98 |
◊ |
C |
x,y,z |
1_555 |
1 |
1 |
2241 |
0.6 |
-0.1 |
0.000 |
0 |
0 |
0 |
0.001 |
|