## |
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 |
|
L |
167 |
41 |
10011 |
◊ |
K |
x,y,z |
1_555 |
149 |
41 |
9532 |
1546.8 |
-25.1 |
0.068 |
17 |
4 |
0 |
0.337 |
2 |
|
B |
161 |
40 |
10060 |
◊ |
A |
x,y,z |
1_555 |
163 |
41 |
9504 |
1541.7 |
-27.4 |
0.047 |
19 |
5 |
0 |
0.337 |
Average: |
1544.2 |
-26.2 |
0.058 |
18 |
5 |
0 |
0.337 |
2 |
3 |
|
K |
105 |
29 |
9532 |
◊ |
A |
x,y,z |
1_555 |
95 |
30 |
9504 |
920.6 |
-4.0 |
0.739 |
15 |
10 |
0 |
0.052 |
3 |
4 |
|
A |
62 |
17 |
9504 |
◊ |
K |
-y,x-y,z |
2_555 |
69 |
19 |
9532 |
607.5 |
2.8 |
0.924 |
10 |
5 |
0 |
0.009 |
4 |
5 |
|
[CYC]B:175 |
43 |
1 |
915 |
cf |
B |
x,y,z |
1_555 |
72 |
28 |
10060 |
575.2 |
-13.9 |
0.737 |
7 |
0 |
0 |
0.206 |
6 |
|
[CYC]L:177 |
43 |
1 |
909 |
cf |
L |
x,y,z |
1_555 |
67 |
28 |
10011 |
573.6 |
-15.1 |
0.587 |
4 |
0 |
0 |
0.206 |
Average: |
574.4 |
-14.5 |
0.662 |
6 |
0 |
0 |
0.206 |
5 |
7 |
|
[CYC]A:175 |
43 |
1 |
920 |
cf |
A |
x,y,z |
1_555 |
81 |
25 |
9504 |
569.2 |
-14.0 |
0.698 |
5 |
0 |
0 |
0.197 |
8 |
|
[CYC]K:175 |
42 |
1 |
911 |
cf |
K |
x,y,z |
1_555 |
81 |
25 |
9532 |
557.4 |
-12.6 |
0.787 |
8 |
0 |
0 |
0.197 |
Average: |
563.3 |
-13.3 |
0.742 |
7 |
0 |
0 |
0.197 |
6 |
9 |
|
[PUB]L:175 |
41 |
1 |
898 |
cf |
L |
x,y,z |
1_555 |
53 |
21 |
10011 |
495.1 |
-11.6 |
0.410 |
7 |
0 |
0 |
0.185 |
10 |
|
[PUB]B:177 |
40 |
1 |
909 |
cf |
B |
x,y,z |
1_555 |
57 |
21 |
10060 |
492.9 |
-12.5 |
0.298 |
6 |
0 |
0 |
0.185 |
Average: |
494.0 |
-12.1 |
0.354 |
7 |
0 |
0 |
0.185 |
7 |
11 |
|
[CYC]L:176 |
42 |
1 |
918 |
cf |
L |
x,y,z |
1_555 |
56 |
17 |
10011 |
460.0 |
-11.3 |
0.629 |
4 |
0 |
0 |
0.152 |
12 |
|
[CYC]B:176 |
40 |
1 |
909 |
cf |
B |
x,y,z |
1_555 |
56 |
17 |
10060 |
457.7 |
-11.2 |
0.617 |
3 |
0 |
0 |
0.152 |
Average: |
458.9 |
-11.2 |
0.623 |
4 |
0 |
0 |
0.152 |
8 |
13 |
|
[CYC]A:141 |
38 |
1 |
910 |
cf |
A |
x,y,z |
1_555 |
55 |
15 |
9504 |
457.5 |
-7.9 |
0.837 |
3 |
0 |
0 |
0.112 |
9 |
14 |
|
[CYC]K:141 |
39 |
1 |
895 |
cf |
K |
x,y,z |
1_555 |
52 |
15 |
9532 |
444.8 |
-6.7 |
0.890 |
5 |
0 |
0 |
0.085 |
10 |
15 |
|
L |
45 |
14 |
10011 |
◊ |
K |
-y,x-y,z |
2_555 |
49 |
17 |
9532 |
432.2 |
-5.6 |
0.317 |
3 |
0 |
0 |
0.086 |
16 |
|
A |
53 |
18 |
9504 |
◊ |
B |
-y,x-y,z |
2_555 |
47 |
16 |
10060 |
427.2 |
-5.7 |
0.346 |
3 |
0 |
0 |
0.086 |
Average: |
429.7 |
-5.7 |
0.332 |
3 |
0 |
0 |
0.086 |
11 |
17 |
|
L |
35 |
14 |
10011 |
◊ |
A |
x,y,z |
1_555 |
38 |
15 |
9504 |
322.7 |
1.3 |
0.782 |
5 |
2 |
0 |
0.020 |
18 |
|
B |
30 |
12 |
10060 |
◊ |
K |
x,y,z |
1_555 |
32 |
13 |
9532 |
292.0 |
0.7 |
0.800 |
8 |
4 |
0 |
0.020 |
Average: |
307.3 |
1.0 |
0.791 |
7 |
3 |
0 |
0.020 |
12 |
19 |
|
L |
32 |
13 |
10011 |
◊ |
B |
-y,x-y,z-1 |
2_554 |
28 |
13 |
10060 |
266.1 |
0.2 |
0.782 |
0 |
0 |
0 |
0.000 |
13 |
20 |
|
[CYC]A:175 |
19 |
1 |
920 |
◊ |
B |
-y,x-y,z |
2_555 |
30 |
8 |
10060 |
199.6 |
-5.2 |
0.655 |
0 |
0 |
0 |
0.063 |
21 |
|
L |
29 |
8 |
10011 |
◊ |
[CYC]K:175 |
-y,x-y,z |
2_555 |
18 |
1 |
911 |
192.9 |
-4.6 |
0.664 |
0 |
0 |
0 |
0.063 |
Average: |
196.2 |
-4.9 |
0.660 |
0 |
0 |
0 |
0.063 |
14 |
22 |
|
[CYC]K:141 |
16 |
1 |
895 |
◊ |
L |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
27 |
10 |
10011 |
187.3 |
-3.4 |
0.784 |
3 |
0 |
0 |
0.000 |
15 |
23 |
|
K |
19 |
6 |
9532 |
◊ |
L |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
18 |
5 |
10011 |
165.4 |
-1.0 |
0.444 |
1 |
0 |
0 |
0.000 |
16 |
24 |
|
[CYC]B:176 |
16 |
1 |
909 |
◊ |
K |
x,y,z |
1_555 |
15 |
4 |
9532 |
124.0 |
-1.1 |
0.907 |
0 |
0 |
0 |
0.009 |
25 |
|
[CYC]L:176 |
16 |
1 |
918 |
◊ |
A |
x,y,z |
1_555 |
14 |
4 |
9504 |
122.2 |
-1.0 |
0.905 |
0 |
0 |
0 |
0.009 |
Average: |
123.1 |
-1.0 |
0.906 |
0 |
0 |
0 |
0.009 |
17 |
26 |
|
B |
8 |
2 |
10060 |
◊ |
L |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
14 |
3 |
10011 |
105.0 |
0.4 |
0.764 |
2 |
2 |
0 |
0.000 |
18 |
27 |
|
[CYC]L:176 |
7 |
1 |
918 |
◊ |
K |
x,y,z |
1_555 |
13 |
4 |
9532 |
104.3 |
-1.5 |
0.664 |
1 |
0 |
0 |
0.019 |
28 |
|
[CYC]B:176 |
8 |
1 |
909 |
◊ |
A |
x,y,z |
1_555 |
16 |
4 |
9504 |
100.3 |
-1.9 |
0.649 |
0 |
0 |
0 |
0.019 |
Average: |
102.3 |
-1.7 |
0.656 |
1 |
0 |
0 |
0.019 |
19 |
29 |
|
B |
13 |
4 |
10060 |
◊ |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
9 |
4 |
9504 |
94.1 |
-2.9 |
0.105 |
0 |
0 |
0 |
0.000 |
20 |
30 |
|
L |
11 |
4 |
10011 |
x |
L |
-y,x-y,z |
2_555 |
11 |
4 |
10011 |
93.3 |
-0.9 |
0.488 |
1 |
0 |
0 |
0.011 |
31 |
|
B |
9 |
4 |
10060 |
x |
B |
-y,x-y,z |
2_555 |
8 |
3 |
10060 |
88.6 |
-0.6 |
0.471 |
1 |
0 |
0 |
0.011 |
Average: |
90.9 |
-0.8 |
0.480 |
1 |
0 |
0 |
0.011 |
21 |
32 |
|
B |
9 |
2 |
10060 |
◊ |
[CYC]A:141 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
7 |
1 |
910 |
51.6 |
-1.1 |
0.696 |
0 |
0 |
0 |
0.000 |
22 |
33 |
|
[CYC]K:141 |
3 |
1 |
895 |
◊ |
[CYC]L:176 |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
5 |
1 |
918 |
44.3 |
-1.1 |
0.705 |
0 |
0 |
0 |
0.000 |
23 |
34 |
|
[PUB]B:177 |
1 |
1 |
909 |
◊ |
A |
-y+2/3,x-y+1/3,z+1/3 |
5_555 |
3 |
2 |
9504 |
14.7 |
-1.1 |
0.209 |
0 |
0 |
0 |
0.000 |
24 |
35 |
|
A |
1 |
1 |
9504 |
◊ |
[PUB]B:177 |
-y,x-y,z |
2_555 |
1 |
1 |
909 |
9.2 |
0.0 |
0.637 |
0 |
0 |
0 |
0.000 |
25 |
36 |
|
[CYC]A:175 |
1 |
1 |
920 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
10060 |
5.9 |
0.0 |
0.743 |
0 |
0 |
0 |
0.000 |
37 |
|
[CYC]K:175 |
1 |
1 |
911 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
10011 |
3.8 |
-0.0 |
0.777 |
0 |
0 |
0 |
0.000 |
Average: |
4.8 |
0.0 |
0.760 |
0 |
0 |
0 |
0.000 |
|