| ## |
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 |
|
R |
203 |
52 |
11803 |
◊ |
Q |
x,y,z |
1_555 |
182 |
45 |
13026 |
1818.2 |
-14.6 |
0.270 |
35 |
12 |
0 |
0.750 |
2 |
|
J |
193 |
52 |
11218 |
◊ |
I |
x,y,z |
1_555 |
178 |
46 |
12948 |
1809.8 |
-15.9 |
0.227 |
35 |
12 |
0 |
0.750 |
3 |
|
P |
200 |
52 |
12184 |
◊ |
O |
x,y,z |
1_555 |
180 |
44 |
13036 |
1806.5 |
-15.5 |
0.257 |
37 |
10 |
0 |
0.750 |
4 |
|
V |
199 |
51 |
11633 |
◊ |
U |
x,y,z |
1_555 |
182 |
46 |
13020 |
1804.6 |
-15.2 |
0.263 |
35 |
11 |
0 |
0.750 |
5 |
|
N |
193 |
52 |
11217 |
◊ |
M |
x,y,z |
1_555 |
180 |
45 |
13033 |
1803.7 |
-15.3 |
0.238 |
34 |
10 |
0 |
0.750 |
6 |
|
X |
200 |
51 |
11200 |
◊ |
W |
x,y,z |
1_555 |
177 |
44 |
13123 |
1795.1 |
-16.6 |
0.189 |
36 |
10 |
0 |
0.750 |
7 |
|
T |
194 |
52 |
12008 |
◊ |
S |
x,y,z |
1_555 |
180 |
44 |
13071 |
1791.0 |
-15.1 |
0.252 |
34 |
12 |
0 |
0.750 |
8 |
|
F |
195 |
52 |
11217 |
◊ |
E |
x,y,z |
1_555 |
178 |
44 |
12990 |
1789.8 |
-15.2 |
0.227 |
35 |
11 |
0 |
0.750 |
9 |
|
H |
195 |
50 |
11221 |
◊ |
G |
x,y,z |
1_555 |
179 |
46 |
13017 |
1788.5 |
-16.7 |
0.192 |
34 |
11 |
0 |
0.750 |
10 |
|
D |
190 |
49 |
12036 |
◊ |
C |
x,y,z |
1_555 |
180 |
45 |
13002 |
1786.3 |
-14.9 |
0.269 |
34 |
12 |
0 |
0.750 |
11 |
|
B |
196 |
52 |
11290 |
◊ |
A |
x,y,z |
1_555 |
177 |
44 |
13003 |
1783.5 |
-16.8 |
0.193 |
35 |
11 |
0 |
0.750 |
12 |
|
L |
194 |
50 |
12108 |
◊ |
K |
x,y,z |
1_555 |
176 |
45 |
12906 |
1783.2 |
-15.3 |
0.258 |
34 |
12 |
0 |
0.750 |
| Average: |
1796.7 |
-15.6 |
0.236 |
35 |
11 |
0 |
0.750 |
| 2 |
13 |
|
J |
119 |
29 |
11218 |
◊ |
K |
x,y,z |
1_555 |
105 |
26 |
12906 |
1068.7 |
-9.3 |
0.301 |
13 |
6 |
0 |
0.605 |
14 |
|
P |
117 |
29 |
12184 |
◊ |
M |
x,y,z |
1_555 |
103 |
26 |
13033 |
1053.2 |
-9.5 |
0.333 |
12 |
4 |
0 |
0.605 |
15 |
|
H |
118 |
29 |
11221 |
◊ |
I |
x,y,z |
1_555 |
104 |
26 |
12948 |
1050.8 |
-10.3 |
0.239 |
11 |
4 |
0 |
0.605 |
16 |
|
N |
114 |
29 |
11217 |
◊ |
Q |
x,y,z |
1_555 |
103 |
26 |
13026 |
1049.7 |
-9.1 |
0.289 |
13 |
5 |
0 |
0.605 |
17 |
|
V |
113 |
29 |
11633 |
◊ |
S |
x,y,z |
1_555 |
103 |
26 |
13071 |
1044.6 |
-9.3 |
0.306 |
13 |
5 |
0 |
0.605 |
18 |
|
R |
116 |
29 |
11803 |
◊ |
O |
x,y,z |
1_555 |
100 |
25 |
13036 |
1040.2 |
-9.5 |
0.282 |
12 |
4 |
0 |
0.605 |
19 |
|
X |
113 |
28 |
11200 |
◊ |
U |
x,y,z |
1_555 |
102 |
26 |
13020 |
1039.1 |
-10.2 |
0.224 |
13 |
5 |
0 |
0.605 |
20 |
|
B |
114 |
28 |
11290 |
◊ |
E |
x,y,z |
1_555 |
102 |
26 |
12990 |
1033.7 |
-9.1 |
0.287 |
13 |
4 |
0 |
0.605 |
21 |
|
T |
114 |
29 |
12008 |
◊ |
W |
x,y,z |
1_555 |
101 |
26 |
13123 |
1033.3 |
-9.6 |
0.290 |
13 |
4 |
0 |
0.605 |
22 |
|
L |
108 |
28 |
12108 |
◊ |
G |
x,y,z |
1_555 |
104 |
26 |
13017 |
1030.8 |
-9.7 |
0.279 |
13 |
4 |
0 |
0.605 |
23 |
|
F |
114 |
28 |
11217 |
◊ |
C |
x,y,z |
1_555 |
103 |
26 |
13002 |
1030.8 |
-9.3 |
0.278 |
13 |
5 |
0 |
0.605 |
24 |
|
D |
109 |
27 |
12036 |
◊ |
A |
x,y,z |
1_555 |
103 |
26 |
13003 |
1026.4 |
-10.8 |
0.226 |
13 |
4 |
0 |
0.605 |
| Average: |
1041.8 |
-9.6 |
0.278 |
13 |
5 |
0 |
0.605 |
| 3 |
25 |
|
P |
68 |
17 |
12184 |
◊ |
O |
-x-1,y,-z-1/2 |
3_454 |
84 |
29 |
13036 |
788.7 |
0.3 |
0.724 |
14 |
7 |
0 |
0.146 |
26 |
|
Q |
77 |
28 |
13026 |
◊ |
T |
x-1/2,y+1/2,z |
5_455 |
70 |
17 |
12008 |
719.3 |
-0.7 |
0.571 |
10 |
7 |
0 |
0.146 |
27 |
|
L |
67 |
15 |
12108 |
◊ |
C |
x-1/2,-y-1/2,-z |
8_445 |
74 |
29 |
13002 |
709.2 |
-2.1 |
0.578 |
9 |
5 |
0 |
0.146 |
28 |
|
K |
77 |
28 |
12906 |
◊ |
D |
x-1/2,-y-1/2,-z |
8_445 |
66 |
16 |
12036 |
688.7 |
-1.2 |
0.604 |
14 |
5 |
0 |
0.146 |
29 |
|
R |
62 |
15 |
11803 |
◊ |
S |
x-1/2,y+1/2,z |
5_455 |
74 |
25 |
13071 |
683.0 |
-1.9 |
0.550 |
11 |
4 |
0 |
0.146 |
| Average: |
717.8 |
-1.1 |
0.605 |
12 |
6 |
0 |
0.146 |
| 4 |
30 |
|
T |
48 |
13 |
12008 |
◊ |
C |
x,y,z |
1_555 |
47 |
13 |
13002 |
451.9 |
-5.9 |
0.192 |
2 |
0 |
0 |
0.214 |
31 |
|
V |
48 |
13 |
11633 |
◊ |
I |
x,y,z |
1_555 |
47 |
13 |
12948 |
450.8 |
-6.2 |
0.190 |
3 |
0 |
0 |
0.214 |
32 |
|
R |
48 |
13 |
11803 |
◊ |
K |
x,y,z |
1_555 |
46 |
13 |
12906 |
448.1 |
-6.0 |
0.189 |
2 |
0 |
0 |
0.214 |
33 |
|
D |
46 |
13 |
12036 |
◊ |
G |
x,y,z |
1_555 |
46 |
13 |
13017 |
442.5 |
-5.7 |
0.205 |
3 |
0 |
0 |
0.214 |
34 |
|
H |
48 |
13 |
11221 |
◊ |
S |
x,y,z |
1_555 |
48 |
13 |
13071 |
441.5 |
-6.3 |
0.170 |
2 |
0 |
0 |
0.214 |
35 |
|
N |
47 |
12 |
11217 |
◊ |
E |
x,y,z |
1_555 |
47 |
13 |
12990 |
440.7 |
-6.1 |
0.177 |
3 |
0 |
0 |
0.214 |
36 |
|
B |
46 |
13 |
11290 |
◊ |
Q |
x,y,z |
1_555 |
47 |
13 |
13026 |
436.0 |
-6.3 |
0.164 |
2 |
0 |
0 |
0.214 |
37 |
|
P |
48 |
13 |
12184 |
◊ |
U |
x,y,z |
1_555 |
47 |
13 |
13020 |
436.0 |
-6.2 |
0.185 |
3 |
0 |
0 |
0.214 |
38 |
|
J |
48 |
14 |
11218 |
◊ |
O |
x,y,z |
1_555 |
49 |
14 |
13036 |
435.2 |
-6.4 |
0.175 |
2 |
0 |
0 |
0.214 |
39 |
|
X |
45 |
12 |
11200 |
◊ |
M |
x,y,z |
1_555 |
45 |
13 |
13033 |
423.0 |
-6.3 |
0.158 |
2 |
0 |
0 |
0.214 |
40 |
|
F |
45 |
13 |
11217 |
◊ |
W |
x,y,z |
1_555 |
46 |
13 |
13123 |
421.3 |
-6.1 |
0.172 |
2 |
0 |
0 |
0.214 |
41 |
|
L |
46 |
12 |
12108 |
◊ |
A |
x,y,z |
1_555 |
43 |
13 |
13003 |
414.0 |
-5.8 |
0.191 |
1 |
0 |
0 |
0.214 |
| Average: |
436.7 |
-6.1 |
0.181 |
2 |
0 |
0 |
0.214 |
| 5 |
42 |
|
V |
24 |
7 |
11633 |
◊ |
M |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
38 |
16 |
13033 |
311.8 |
-1.5 |
0.246 |
3 |
2 |
0 |
0.008 |
| 6 |
43 |
|
U |
36 |
12 |
13020 |
◊ |
N |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
34 |
8 |
11217 |
282.0 |
0.7 |
0.748 |
3 |
0 |
0 |
0.007 |
44 |
|
H |
29 |
9 |
11221 |
◊ |
G |
x,-y-1,-z |
4_545 |
34 |
13 |
13017 |
277.2 |
0.5 |
0.691 |
4 |
0 |
0 |
0.007 |
45 |
|
X |
24 |
7 |
11200 |
◊ |
W |
-x,y,-z-1/2 |
3_554 |
28 |
10 |
13123 |
233.9 |
0.1 |
0.666 |
5 |
0 |
0 |
0.007 |
| Average: |
264.3 |
0.4 |
0.702 |
4 |
0 |
0 |
0.007 |
| 7 |
46 |
|
P |
28 |
10 |
12184 |
◊ |
P |
-x-1,y,-z-1/2 |
3_454 |
27 |
10 |
12184 |
256.8 |
-5.6 |
0.101 |
0 |
0 |
0 |
0.051 |
47 |
|
R |
15 |
7 |
11803 |
◊ |
T |
x-1/2,y+1/2,z |
5_455 |
14 |
6 |
12008 |
85.7 |
-0.1 |
0.600 |
0 |
0 |
0 |
0.051 |
| Average: |
171.3 |
-2.8 |
0.351 |
0 |
0 |
0 |
0.051 |
| 8 |
48 |
|
I |
27 |
8 |
12948 |
◊ |
E |
x-1/2,y-1/2,z |
5_445 |
24 |
8 |
12990 |
226.9 |
-1.7 |
0.539 |
3 |
0 |
0 |
0.000 |
| 9 |
49 |
|
I |
21 |
7 |
12948 |
◊ |
F |
x-1/2,y-1/2,z |
5_445 |
21 |
6 |
11217 |
170.9 |
-1.8 |
0.375 |
0 |
0 |
0 |
0.000 |
| 10 |
50 |
|
J |
21 |
8 |
11218 |
◊ |
E |
x-1/2,y-1/2,z |
5_445 |
18 |
7 |
12990 |
170.6 |
-2.4 |
0.309 |
0 |
0 |
0 |
0.000 |
| 11 |
51 |
|
L |
23 |
8 |
12108 |
◊ |
D |
x-1/2,-y-1/2,-z |
8_445 |
19 |
8 |
12036 |
152.9 |
-0.5 |
0.552 |
1 |
1 |
0 |
0.010 |
| 12 |
52 |
|
[CL]R:1249 |
1 |
1 |
125 |
f |
R |
x,y,z |
1_555 |
14 |
8 |
11803 |
78.9 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.424 |
53 |
|
[CL]L:1249 |
1 |
1 |
125 |
f |
L |
x,y,z |
1_555 |
16 |
9 |
12108 |
76.5 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.424 |
54 |
|
[CL]D:1249 |
1 |
1 |
125 |
f |
D |
x,y,z |
1_555 |
14 |
8 |
12036 |
76.1 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.424 |
55 |
|
[CL]T:1249 |
1 |
1 |
125 |
f |
T |
x,y,z |
1_555 |
14 |
8 |
12008 |
75.6 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.424 |
56 |
|
[CL]F:1249 |
1 |
1 |
125 |
f |
F |
x,y,z |
1_555 |
15 |
9 |
11217 |
74.9 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.424 |
57 |
|
[CL]X:1249 |
1 |
1 |
125 |
f |
X |
x,y,z |
1_555 |
14 |
8 |
11200 |
74.8 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.424 |
58 |
|
[CL]P:1249 |
1 |
1 |
125 |
f |
P |
x,y,z |
1_555 |
12 |
6 |
12184 |
74.6 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.424 |
59 |
|
[CL]H:1249 |
1 |
1 |
125 |
f |
H |
x,y,z |
1_555 |
14 |
8 |
11221 |
74.5 |
-11.4 |
0.000 |
0 |
0 |
0 |
0.424 |
60 |
|
[CL]N:1249 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
12 |
7 |
11217 |
73.8 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.424 |
61 |
|
[CL]V:1249 |
1 |
1 |
125 |
f |
V |
x,y,z |
1_555 |
12 |
7 |
11633 |
73.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.424 |
62 |
|
[CL]J:1249 |
1 |
1 |
125 |
f |
J |
x,y,z |
1_555 |
12 |
7 |
11218 |
73.0 |
-11.2 |
0.000 |
0 |
0 |
0 |
0.424 |
63 |
|
[CL]B:1249 |
1 |
1 |
125 |
f |
B |
x,y,z |
1_555 |
12 |
6 |
11290 |
72.8 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.424 |
| Average: |
74.9 |
-11.3 |
0.000 |
0 |
0 |
0 |
0.424 |
| 13 |
64 |
|
B |
9 |
5 |
11290 |
◊ |
A |
x,-y,-z |
4_555 |
8 |
3 |
13003 |
67.3 |
0.1 |
0.561 |
0 |
0 |
0 |
0.000 |
| 14 |
65 |
|
D |
10 |
4 |
12036 |
◊ |
B |
x,y,z |
1_555 |
6 |
1 |
11290 |
61.6 |
-1.5 |
0.182 |
0 |
0 |
0 |
0.018 |
66 |
|
L |
10 |
4 |
12108 |
◊ |
H |
x,y,z |
1_555 |
6 |
1 |
11221 |
60.1 |
-0.9 |
0.383 |
0 |
0 |
0 |
0.018 |
67 |
|
R |
8 |
3 |
11803 |
◊ |
P |
x,y,z |
1_555 |
6 |
1 |
12184 |
57.8 |
-0.8 |
0.386 |
0 |
0 |
0 |
0.018 |
68 |
|
V |
9 |
3 |
11633 |
◊ |
T |
x,y,z |
1_555 |
6 |
1 |
12008 |
57.7 |
-1.0 |
0.365 |
0 |
0 |
0 |
0.018 |
69 |
|
J |
6 |
1 |
11218 |
◊ |
H |
x,y,z |
1_555 |
8 |
2 |
11221 |
57.0 |
-0.8 |
0.380 |
0 |
0 |
0 |
0.018 |
70 |
|
P |
9 |
3 |
12184 |
◊ |
N |
x,y,z |
1_555 |
6 |
1 |
11217 |
55.8 |
-0.8 |
0.415 |
0 |
0 |
0 |
0.018 |
71 |
|
R |
6 |
1 |
11803 |
◊ |
N |
x,y,z |
1_555 |
8 |
3 |
11217 |
55.6 |
-0.9 |
0.347 |
0 |
0 |
0 |
0.018 |
72 |
|
X |
6 |
1 |
11200 |
◊ |
T |
x,y,z |
1_555 |
8 |
2 |
12008 |
55.2 |
-0.8 |
0.402 |
0 |
0 |
0 |
0.018 |
73 |
|
F |
6 |
1 |
11217 |
◊ |
B |
x,y,z |
1_555 |
8 |
2 |
11290 |
52.4 |
-0.8 |
0.391 |
0 |
0 |
0 |
0.018 |
74 |
|
F |
8 |
3 |
11217 |
◊ |
D |
x,y,z |
1_555 |
6 |
1 |
12036 |
50.9 |
-0.9 |
0.356 |
0 |
0 |
0 |
0.018 |
75 |
|
X |
7 |
2 |
11200 |
◊ |
V |
x,y,z |
1_555 |
6 |
1 |
11633 |
49.2 |
-0.8 |
0.382 |
0 |
0 |
0 |
0.018 |
76 |
|
L |
6 |
1 |
12108 |
◊ |
J |
x,y,z |
1_555 |
7 |
2 |
11218 |
44.9 |
-0.8 |
0.390 |
0 |
0 |
0 |
0.018 |
| Average: |
54.9 |
-0.9 |
0.365 |
0 |
0 |
0 |
0.018 |
| 15 |
77 |
|
U |
8 |
2 |
13020 |
◊ |
M |
-x-1/2,y-1/2,-z-1/2 |
7_444 |
4 |
2 |
13033 |
39.5 |
0.0 |
0.658 |
0 |
0 |
0 |
0.000 |
| 16 |
78 |
|
[CL]M:1276 |
1 |
1 |
125 |
◊ |
M |
x,y,z |
1_555 |
2 |
1 |
13033 |
35.1 |
-2.5 |
0.000 |
0 |
0 |
0 |
0.050 |
| 17 |
79 |
|
[CL]M:1276 |
1 |
1 |
125 |
f |
N |
x,y,z |
1_555 |
4 |
1 |
11217 |
33.5 |
-3.9 |
0.000 |
0 |
0 |
0 |
0.128 |
| 18 |
80 |
|
O |
1 |
1 |
13036 |
◊ |
S |
x-1/2,y+1/2,z |
5_455 |
1 |
1 |
13071 |
8.2 |
0.3 |
0.832 |
0 |
0 |
0 |
0.000 |
| 19 |
81 |
|
G |
1 |
1 |
13017 |
◊ |
C |
x-1/2,-y-1/2,-z |
8_445 |
2 |
1 |
13002 |
7.1 |
0.2 |
0.766 |
0 |
0 |
0 |
0.000 |
|