## |
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 |
|
J |
155 |
40 |
9473 |
◊ |
I |
x,y,z |
1_555 |
154 |
40 |
8955 |
1561.8 |
-29.7 |
0.022 |
6 |
6 |
0 |
0.443 |
2 |
|
F |
150 |
40 |
9424 |
◊ |
E |
x,y,z |
1_555 |
161 |
43 |
9014 |
1552.7 |
-29.5 |
0.020 |
8 |
5 |
0 |
0.443 |
3 |
|
B |
157 |
41 |
9475 |
◊ |
A |
x,y,z |
1_555 |
160 |
42 |
9044 |
1548.7 |
-29.5 |
0.022 |
7 |
6 |
0 |
0.443 |
4 |
|
H |
159 |
41 |
9394 |
◊ |
G |
x,y,z |
1_555 |
154 |
40 |
9029 |
1539.4 |
-31.3 |
0.015 |
5 |
5 |
0 |
0.443 |
5 |
|
D |
161 |
39 |
9486 |
◊ |
C |
x,y,z |
1_555 |
162 |
40 |
9039 |
1529.6 |
-29.3 |
0.025 |
6 |
6 |
0 |
0.443 |
6 |
|
L |
154 |
39 |
9435 |
◊ |
K |
x,y,z |
1_555 |
155 |
39 |
9021 |
1519.1 |
-30.9 |
0.019 |
7 |
6 |
0 |
0.443 |
Average: |
1541.9 |
-30.0 |
0.021 |
7 |
6 |
0 |
0.443 |
2 |
7 |
|
C |
109 |
30 |
9039 |
◊ |
A |
x,y,z |
1_555 |
108 |
30 |
9044 |
956.0 |
-1.4 |
0.880 |
13 |
8 |
0 |
0.043 |
8 |
|
G |
100 |
27 |
9029 |
◊ |
E |
x,y,z |
1_555 |
105 |
28 |
9014 |
941.0 |
-2.3 |
0.843 |
12 |
6 |
0 |
0.043 |
9 |
|
K |
107 |
27 |
9021 |
◊ |
I |
x,y,z |
1_555 |
101 |
28 |
8955 |
934.8 |
-1.8 |
0.867 |
14 |
8 |
0 |
0.043 |
Average: |
943.9 |
-1.8 |
0.863 |
13 |
7 |
0 |
0.043 |
3 |
10 |
|
[CYC]K:201 |
43 |
1 |
895 |
f |
K |
x,y,z |
1_555 |
83 |
27 |
9021 |
569.6 |
-15.0 |
0.611 |
3 |
0 |
0 |
0.319 |
11 |
|
[CYC]G:201 |
43 |
1 |
899 |
f |
G |
x,y,z |
1_555 |
85 |
28 |
9029 |
568.5 |
-16.2 |
0.488 |
2 |
0 |
0 |
0.319 |
12 |
|
[CYC]E:201 |
43 |
1 |
897 |
f |
E |
x,y,z |
1_555 |
83 |
28 |
9014 |
563.6 |
-15.1 |
0.604 |
4 |
0 |
0 |
0.319 |
13 |
|
[CYC]C:201 |
43 |
1 |
891 |
f |
C |
x,y,z |
1_555 |
82 |
27 |
9039 |
562.3 |
-16.1 |
0.480 |
3 |
0 |
0 |
0.319 |
14 |
|
[CYC]A:201 |
43 |
1 |
875 |
f |
A |
x,y,z |
1_555 |
84 |
27 |
9044 |
556.5 |
-15.1 |
0.577 |
3 |
0 |
0 |
0.319 |
Average: |
564.1 |
-15.5 |
0.552 |
3 |
0 |
0 |
0.319 |
4 |
15 |
|
[BLA]I:201 |
43 |
1 |
883 |
f |
I |
x,y,z |
1_555 |
83 |
28 |
8955 |
556.9 |
-15.9 |
0.510 |
3 |
0 |
0 |
0.217 |
5 |
16 |
|
[BLA]F:201 |
42 |
1 |
884 |
f |
F |
x,y,z |
1_555 |
68 |
25 |
9424 |
553.5 |
-13.1 |
0.648 |
0 |
0 |
0 |
0.253 |
17 |
|
[BLA]D:201 |
43 |
1 |
886 |
f |
D |
x,y,z |
1_555 |
68 |
25 |
9486 |
551.2 |
-12.7 |
0.706 |
1 |
0 |
0 |
0.253 |
18 |
|
[BLA]L:201 |
42 |
1 |
886 |
f |
L |
x,y,z |
1_555 |
69 |
26 |
9435 |
549.0 |
-13.2 |
0.685 |
1 |
0 |
0 |
0.253 |
19 |
|
[BLA]B:201 |
42 |
1 |
891 |
f |
B |
x,y,z |
1_555 |
66 |
25 |
9475 |
548.3 |
-12.4 |
0.711 |
1 |
0 |
0 |
0.253 |
20 |
|
[BLA]J:201 |
42 |
1 |
882 |
f |
J |
x,y,z |
1_555 |
63 |
25 |
9473 |
546.0 |
-13.6 |
0.596 |
1 |
0 |
0 |
0.253 |
21 |
|
[BLA]H:201 |
42 |
1 |
880 |
f |
H |
x,y,z |
1_555 |
66 |
25 |
9394 |
542.5 |
-13.4 |
0.647 |
1 |
0 |
0 |
0.253 |
Average: |
548.4 |
-13.1 |
0.666 |
1 |
0 |
0 |
0.253 |
6 |
22 |
|
E |
57 |
18 |
9014 |
◊ |
A |
x,y,z |
1_555 |
54 |
19 |
9044 |
523.7 |
-2.5 |
0.689 |
3 |
5 |
0 |
0.025 |
23 |
|
I |
60 |
18 |
8955 |
◊ |
C |
x,y,z |
1_555 |
54 |
17 |
9039 |
517.9 |
-4.1 |
0.586 |
1 |
4 |
0 |
0.025 |
24 |
|
K |
55 |
18 |
9021 |
◊ |
G |
x,y,z |
1_555 |
59 |
18 |
9029 |
514.6 |
-3.9 |
0.623 |
3 |
3 |
0 |
0.025 |
Average: |
518.7 |
-3.5 |
0.633 |
2 |
4 |
0 |
0.025 |
7 |
25 |
|
L |
54 |
15 |
9435 |
◊ |
C |
x,y,z |
1_555 |
54 |
18 |
9039 |
500.1 |
-6.4 |
0.359 |
1 |
0 |
0 |
0.137 |
26 |
|
B |
53 |
15 |
9475 |
◊ |
I |
x,y,z |
1_555 |
59 |
18 |
8955 |
499.5 |
-6.1 |
0.374 |
0 |
0 |
0 |
0.137 |
27 |
|
H |
52 |
14 |
9394 |
◊ |
A |
x,y,z |
1_555 |
50 |
17 |
9044 |
486.5 |
-7.2 |
0.263 |
1 |
0 |
0 |
0.137 |
28 |
|
F |
54 |
16 |
9424 |
◊ |
K |
x,y,z |
1_555 |
56 |
18 |
9021 |
486.1 |
-6.3 |
0.354 |
1 |
0 |
0 |
0.137 |
29 |
|
J |
50 |
14 |
9473 |
◊ |
G |
x,y,z |
1_555 |
59 |
18 |
9029 |
479.7 |
-6.6 |
0.342 |
1 |
0 |
0 |
0.137 |
30 |
|
D |
50 |
14 |
9486 |
◊ |
E |
x,y,z |
1_555 |
51 |
17 |
9014 |
475.1 |
-5.4 |
0.369 |
2 |
0 |
0 |
0.137 |
Average: |
487.8 |
-6.3 |
0.343 |
1 |
0 |
0 |
0.137 |
8 |
31 |
|
B |
48 |
13 |
9475 |
◊ |
H |
-x-1/2,y-1/2,-z-1 |
4_444 |
58 |
17 |
9394 |
465.3 |
-0.4 |
0.780 |
2 |
3 |
0 |
0.000 |
9 |
32 |
|
[BLA]D:202 |
38 |
1 |
867 |
f |
D |
x,y,z |
1_555 |
60 |
18 |
9486 |
452.3 |
-10.7 |
0.771 |
1 |
0 |
0 |
0.223 |
33 |
|
[BLA]F:202 |
38 |
1 |
873 |
f |
F |
x,y,z |
1_555 |
59 |
19 |
9424 |
451.5 |
-11.1 |
0.733 |
2 |
0 |
0 |
0.223 |
34 |
|
[BLA]B:202 |
38 |
1 |
867 |
f |
B |
x,y,z |
1_555 |
60 |
18 |
9475 |
450.9 |
-10.6 |
0.772 |
0 |
0 |
0 |
0.223 |
35 |
|
[BLA]J:202 |
38 |
1 |
874 |
f |
J |
x,y,z |
1_555 |
59 |
18 |
9473 |
447.8 |
-11.3 |
0.737 |
1 |
0 |
0 |
0.223 |
36 |
|
[BLA]H:202 |
37 |
1 |
869 |
f |
H |
x,y,z |
1_555 |
58 |
18 |
9394 |
442.4 |
-11.1 |
0.726 |
2 |
0 |
0 |
0.223 |
37 |
|
[BLA]L:202 |
38 |
1 |
877 |
f |
L |
x,y,z |
1_555 |
57 |
19 |
9435 |
435.9 |
-10.4 |
0.760 |
1 |
0 |
0 |
0.223 |
Average: |
446.8 |
-10.9 |
0.750 |
1 |
0 |
0 |
0.223 |
10 |
38 |
|
D |
42 |
18 |
9486 |
◊ |
F |
-x-1/2,y-1/2,-z |
4_445 |
50 |
17 |
9424 |
391.5 |
1.4 |
0.914 |
2 |
6 |
0 |
0.000 |
11 |
39 |
|
B |
42 |
18 |
9475 |
◊ |
J |
-x-1/2,y-1/2,-z-1 |
4_444 |
43 |
17 |
9473 |
362.1 |
-2.3 |
0.678 |
0 |
5 |
0 |
0.000 |
12 |
40 |
|
D |
25 |
7 |
9486 |
◊ |
K |
x-1/2,y-1/2,z |
3_445 |
34 |
12 |
9021 |
270.6 |
-3.5 |
0.324 |
1 |
0 |
0 |
0.000 |
41 |
|
E |
34 |
11 |
9014 |
◊ |
L |
x-1/2,y+1/2,z |
3_455 |
23 |
7 |
9435 |
245.2 |
-3.5 |
0.343 |
2 |
0 |
0 |
0.000 |
Average: |
257.9 |
-3.5 |
0.333 |
2 |
0 |
0 |
0.000 |
13 |
42 |
|
C |
27 |
10 |
9039 |
◊ |
G |
x,y-1,z |
1_545 |
31 |
12 |
9029 |
268.7 |
-0.4 |
0.756 |
1 |
0 |
0 |
0.000 |
14 |
43 |
|
L |
23 |
10 |
9435 |
◊ |
I |
x,y,z |
1_555 |
25 |
8 |
8955 |
221.1 |
0.6 |
0.846 |
2 |
0 |
0 |
0.002 |
44 |
|
J |
23 |
10 |
9473 |
◊ |
K |
x,y,z |
1_555 |
26 |
8 |
9021 |
220.2 |
0.3 |
0.803 |
1 |
0 |
0 |
0.002 |
45 |
|
D |
22 |
10 |
9486 |
◊ |
A |
x,y,z |
1_555 |
27 |
8 |
9044 |
216.5 |
0.5 |
0.817 |
1 |
0 |
0 |
0.002 |
46 |
|
F |
22 |
10 |
9424 |
◊ |
G |
x,y,z |
1_555 |
24 |
7 |
9029 |
215.6 |
0.9 |
0.851 |
2 |
0 |
0 |
0.002 |
47 |
|
H |
25 |
10 |
9394 |
◊ |
E |
x,y,z |
1_555 |
24 |
8 |
9014 |
214.1 |
0.5 |
0.821 |
1 |
0 |
0 |
0.002 |
48 |
|
B |
24 |
11 |
9475 |
◊ |
C |
x,y,z |
1_555 |
25 |
8 |
9039 |
213.8 |
0.3 |
0.796 |
3 |
0 |
0 |
0.002 |
Average: |
216.9 |
0.5 |
0.822 |
2 |
0 |
0 |
0.002 |
15 |
49 |
|
L |
26 |
10 |
9435 |
◊ |
F |
-x-1/2,y-1/2,-z |
4_445 |
23 |
8 |
9424 |
206.7 |
-0.9 |
0.714 |
1 |
0 |
0 |
0.000 |
16 |
50 |
|
[CYC]C:201 |
19 |
1 |
891 |
◊ |
L |
x,y,z |
1_555 |
30 |
8 |
9435 |
194.7 |
-5.1 |
0.723 |
2 |
0 |
0 |
0.109 |
51 |
|
[CYC]E:201 |
18 |
1 |
897 |
◊ |
D |
x,y,z |
1_555 |
28 |
7 |
9486 |
191.2 |
-4.8 |
0.718 |
2 |
0 |
0 |
0.109 |
52 |
|
[CYC]G:201 |
18 |
1 |
899 |
◊ |
J |
x,y,z |
1_555 |
29 |
7 |
9473 |
188.4 |
-4.7 |
0.728 |
2 |
0 |
0 |
0.109 |
53 |
|
[CYC]K:201 |
17 |
1 |
895 |
◊ |
F |
x,y,z |
1_555 |
30 |
8 |
9424 |
186.0 |
-4.8 |
0.706 |
2 |
0 |
0 |
0.109 |
54 |
|
[CYC]A:201 |
17 |
1 |
875 |
◊ |
H |
x,y,z |
1_555 |
29 |
8 |
9394 |
176.1 |
-5.3 |
0.609 |
1 |
0 |
0 |
0.109 |
Average: |
187.3 |
-4.9 |
0.697 |
2 |
0 |
0 |
0.109 |
17 |
55 |
|
[BLA]I:201 |
18 |
1 |
883 |
◊ |
B |
x,y,z |
1_555 |
31 |
8 |
9475 |
189.9 |
-4.9 |
0.708 |
2 |
0 |
0 |
0.021 |
18 |
56 |
|
[BLA]L:202 |
13 |
1 |
877 |
◊ |
I |
x,y,z |
1_555 |
24 |
7 |
8955 |
154.9 |
-1.5 |
0.872 |
1 |
0 |
0 |
0.013 |
57 |
|
[BLA]F:202 |
14 |
1 |
873 |
◊ |
G |
x,y,z |
1_555 |
22 |
7 |
9029 |
154.2 |
-0.9 |
0.903 |
1 |
0 |
0 |
0.013 |
58 |
|
[BLA]D:202 |
14 |
1 |
867 |
◊ |
A |
x,y,z |
1_555 |
20 |
7 |
9044 |
151.1 |
-0.6 |
0.914 |
1 |
0 |
0 |
0.013 |
59 |
|
[BLA]J:202 |
15 |
1 |
874 |
◊ |
K |
x,y,z |
1_555 |
20 |
6 |
9021 |
150.7 |
-0.6 |
0.901 |
1 |
0 |
0 |
0.013 |
60 |
|
[BLA]B:202 |
15 |
1 |
867 |
◊ |
C |
x,y,z |
1_555 |
20 |
7 |
9039 |
147.9 |
-0.8 |
0.898 |
1 |
0 |
0 |
0.013 |
61 |
|
[BLA]H:202 |
13 |
1 |
869 |
◊ |
E |
x,y,z |
1_555 |
20 |
7 |
9014 |
145.1 |
-0.9 |
0.881 |
1 |
0 |
0 |
0.013 |
Average: |
150.7 |
-0.9 |
0.895 |
1 |
0 |
0 |
0.013 |
19 |
62 |
|
H |
12 |
5 |
9394 |
◊ |
B |
x,y,z |
1_555 |
15 |
4 |
9475 |
114.2 |
-1.1 |
0.478 |
1 |
0 |
0 |
0.016 |
63 |
|
F |
14 |
4 |
9424 |
◊ |
D |
x,y,z |
1_555 |
11 |
5 |
9486 |
112.2 |
-1.0 |
0.470 |
1 |
0 |
0 |
0.016 |
64 |
|
J |
11 |
4 |
9473 |
◊ |
H |
x,y,z |
1_555 |
15 |
4 |
9394 |
111.1 |
-0.9 |
0.479 |
1 |
0 |
0 |
0.016 |
65 |
|
L |
15 |
4 |
9435 |
◊ |
F |
x,y,z |
1_555 |
11 |
5 |
9424 |
111.0 |
-1.2 |
0.449 |
1 |
0 |
0 |
0.016 |
66 |
|
J |
14 |
4 |
9473 |
◊ |
B |
x,y,z |
1_555 |
10 |
4 |
9475 |
108.6 |
-0.9 |
0.492 |
1 |
0 |
0 |
0.016 |
67 |
|
L |
10 |
4 |
9435 |
◊ |
D |
x,y,z |
1_555 |
13 |
4 |
9486 |
105.3 |
-0.9 |
0.471 |
1 |
0 |
0 |
0.016 |
Average: |
110.4 |
-1.0 |
0.473 |
1 |
0 |
0 |
0.016 |
20 |
68 |
|
C |
10 |
3 |
9039 |
◊ |
F |
x,y-1,z |
1_545 |
11 |
5 |
9424 |
101.8 |
-0.9 |
0.514 |
0 |
0 |
0 |
0.000 |
21 |
69 |
|
[BLA]L:202 |
11 |
1 |
877 |
◊ |
K |
x,y,z |
1_555 |
11 |
4 |
9021 |
100.6 |
-3.0 |
0.322 |
0 |
0 |
0 |
0.040 |
70 |
|
[BLA]D:202 |
11 |
1 |
867 |
◊ |
C |
x,y,z |
1_555 |
9 |
4 |
9039 |
99.7 |
-3.0 |
0.237 |
0 |
0 |
0 |
0.040 |
71 |
|
[BLA]B:202 |
11 |
1 |
867 |
◊ |
A |
x,y,z |
1_555 |
10 |
4 |
9044 |
99.7 |
-3.0 |
0.275 |
0 |
0 |
0 |
0.040 |
72 |
|
[BLA]J:202 |
11 |
1 |
874 |
◊ |
I |
x,y,z |
1_555 |
11 |
4 |
8955 |
99.7 |
-3.0 |
0.309 |
0 |
0 |
0 |
0.040 |
73 |
|
[BLA]H:202 |
11 |
1 |
869 |
◊ |
G |
x,y,z |
1_555 |
9 |
4 |
9029 |
99.6 |
-2.9 |
0.249 |
0 |
0 |
0 |
0.040 |
74 |
|
[BLA]F:202 |
11 |
1 |
873 |
◊ |
E |
x,y,z |
1_555 |
11 |
4 |
9014 |
96.2 |
-2.9 |
0.310 |
0 |
0 |
0 |
0.040 |
Average: |
99.3 |
-3.0 |
0.284 |
0 |
0 |
0 |
0.040 |
22 |
75 |
|
A |
8 |
3 |
9044 |
◊ |
G |
x-1/2,y-1/2,z |
3_445 |
13 |
3 |
9029 |
90.3 |
0.2 |
0.705 |
0 |
0 |
0 |
0.000 |
76 |
|
A |
10 |
3 |
9044 |
◊ |
I |
x-1/2,y+1/2,z |
3_455 |
8 |
3 |
8955 |
60.6 |
-0.2 |
0.672 |
0 |
0 |
0 |
0.000 |
Average: |
75.4 |
0.0 |
0.689 |
0 |
0 |
0 |
0.000 |
23 |
77 |
|
L |
10 |
6 |
9435 |
◊ |
L |
-x,y,-z |
2_555 |
10 |
6 |
9435 |
71.7 |
-0.3 |
0.675 |
0 |
0 |
0 |
0.000 |
24 |
78 |
|
I |
9 |
3 |
8955 |
◊ |
H |
-x-1/2,y-1/2,-z-1 |
4_444 |
5 |
3 |
9394 |
44.8 |
-1.3 |
0.349 |
0 |
0 |
0 |
0.000 |
25 |
79 |
|
H |
3 |
2 |
9394 |
◊ |
I |
x-1/2,y+1/2,z |
3_455 |
4 |
4 |
8955 |
37.9 |
-0.5 |
0.364 |
0 |
0 |
0 |
0.000 |
80 |
|
A |
4 |
4 |
9044 |
◊ |
J |
x-1/2,y-1/2,z |
3_445 |
3 |
2 |
9473 |
20.4 |
-0.2 |
0.508 |
0 |
0 |
0 |
0.000 |
Average: |
29.2 |
-0.4 |
0.436 |
0 |
0 |
0 |
0.000 |
26 |
81 |
|
E |
5 |
3 |
9014 |
◊ |
I |
x-1/2,y+1/2,z |
3_455 |
7 |
4 |
8955 |
27.1 |
-0.4 |
0.567 |
0 |
0 |
0 |
0.000 |
82 |
|
A |
3 |
3 |
9044 |
◊ |
K |
x-1/2,y-1/2,z |
3_445 |
4 |
3 |
9021 |
23.0 |
-0.1 |
0.610 |
0 |
0 |
0 |
0.000 |
Average: |
25.0 |
-0.2 |
0.589 |
0 |
0 |
0 |
0.000 |
27 |
83 |
|
[CYC]A:201 |
1 |
1 |
875 |
◊ |
B |
x,y,z |
1_555 |
1 |
1 |
9475 |
3.6 |
-0.0 |
0.783 |
0 |
0 |
0 |
0.000 |
84 |
|
[CYC]E:201 |
1 |
1 |
897 |
◊ |
F |
x,y,z |
1_555 |
1 |
1 |
9424 |
1.9 |
-0.0 |
0.768 |
0 |
0 |
0 |
0.000 |
85 |
|
[CYC]K:201 |
1 |
1 |
895 |
◊ |
L |
x,y,z |
1_555 |
1 |
1 |
9435 |
1.5 |
0.0 |
0.772 |
0 |
0 |
0 |
0.000 |
86 |
|
[CYC]G:201 |
1 |
1 |
899 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
9394 |
1.3 |
0.0 |
0.804 |
0 |
0 |
0 |
0.000 |
Average: |
2.1 |
-0.0 |
0.782 |
0 |
0 |
0 |
0.000 |
28 |
87 |
|
[BLA]D:202 |
2 |
1 |
867 |
◊ |
K |
x-1/2,y-1/2,z |
3_445 |
2 |
2 |
9021 |
1.4 |
-0.0 |
0.743 |
0 |
0 |
0 |
0.000 |
|