## |
Structure 1 |
× |
Structure 2 |
interface area, Å2 |
ΔiG kcal/mol |
ΔiG P-value |
NHB |
NSB |
NDS |
CSS |
NN |
«» |
Range |
iNat |
iNres |
Surface Å2 |
Range |
Symmetry op-n |
Sym.ID |
iNat |
iNres |
Surface Å2 |
1 |
|
M |
475 |
118 |
18765 |
◊ |
L |
x,y,z |
1_555 |
462 |
109 |
17751 |
4219.7 |
-63.6 |
0.922 |
50 |
14 |
0 |
0.390 |
2 |
|
M |
255 |
62 |
18765 |
◊ |
H |
x,y,z |
1_555 |
282 |
80 |
14400 |
2583.9 |
-20.4 |
0.907 |
33 |
17 |
0 |
0.434 |
3 |
|
L |
154 |
38 |
17751 |
◊ |
H |
x,y,z |
1_555 |
175 |
55 |
14400 |
1509.5 |
-18.6 |
0.599 |
15 |
2 |
0 |
0.092 |
4 |
|
[SPN]M:1307 |
42 |
1 |
1154 |
f |
M |
x,y,z |
1_555 |
102 |
29 |
18765 |
730.5 |
-5.3 |
0.644 |
1 |
0 |
0 |
0.066 |
5 |
|
[U10]L:1285 |
44 |
1 |
1139 |
f |
L |
x,y,z |
1_555 |
84 |
29 |
17751 |
566.6 |
-9.8 |
0.810 |
6 |
0 |
0 |
0.055 |
6 |
|
[BCL]M:1303 |
60 |
1 |
1354 |
f |
M |
x,y,z |
1_555 |
76 |
29 |
18765 |
563.9 |
-10.1 |
0.448 |
0 |
0 |
0 |
0.117 |
7 |
|
[BCL]L:1282 |
57 |
1 |
1335 |
f |
L |
x,y,z |
1_555 |
83 |
27 |
17751 |
529.8 |
-8.7 |
0.648 |
2 |
0 |
0 |
0.042 |
8 |
|
[BPH]L:1284 |
53 |
1 |
1325 |
◊ |
L |
x,y,z |
1_555 |
85 |
28 |
17751 |
512.1 |
-5.9 |
0.784 |
1 |
0 |
0 |
0.028 |
9 |
|
[BPH]M:1305 |
46 |
1 |
1329 |
◊ |
M |
x,y,z |
1_555 |
71 |
21 |
18765 |
478.4 |
-4.9 |
0.701 |
2 |
0 |
0 |
0.026 |
10 |
|
[U10]M:1308 |
36 |
1 |
1174 |
◊ |
M |
x,y,z |
1_555 |
68 |
20 |
18765 |
425.0 |
-5.4 |
0.846 |
2 |
0 |
0 |
0.028 |
11 |
|
H |
37 |
11 |
14400 |
◊ |
L |
-y+1,x-y,z+1/3 |
2_655 |
35 |
11 |
17751 |
353.1 |
-3.0 |
0.782 |
4 |
0 |
0 |
0.000 |
12 |
|
[BCL]M:1302 |
44 |
1 |
1190 |
f |
M |
x,y,z |
1_555 |
36 |
16 |
18765 |
347.4 |
-9.1 |
0.124 |
0 |
0 |
0 |
0.105 |
13 |
|
H |
39 |
14 |
14400 |
◊ |
M |
x-y,-y+1,-z+2/3 |
5_565 |
29 |
8 |
18765 |
310.6 |
-1.4 |
0.844 |
3 |
0 |
0 |
0.000 |
14 |
|
[BCL]L:1283 |
38 |
1 |
1174 |
f |
L |
x,y,z |
1_555 |
37 |
13 |
17751 |
307.3 |
-7.7 |
0.285 |
0 |
0 |
0 |
0.034 |
15 |
|
[BPH]M:1305 |
34 |
1 |
1329 |
f |
L |
x,y,z |
1_555 |
30 |
9 |
17751 |
252.7 |
-8.1 |
0.293 |
0 |
0 |
0 |
0.036 |
16 |
|
[U10]M:1308 |
18 |
1 |
1174 |
f |
L |
x,y,z |
1_555 |
37 |
11 |
17751 |
242.3 |
-7.4 |
0.453 |
0 |
0 |
0 |
0.033 |
17 |
|
M |
25 |
12 |
18765 |
◊ |
L |
x-y,-y+1,-z+2/3 |
5_565 |
24 |
9 |
17751 |
235.1 |
-3.3 |
0.565 |
1 |
0 |
0 |
0.000 |
18 |
|
[BPH]L:1284 |
23 |
1 |
1325 |
◊ |
[BCL]L:1283 |
x,y,z |
1_555 |
32 |
1 |
1174 |
233.7 |
-1.5 |
0.638 |
0 |
0 |
0 |
0.007 |
19 |
|
[BPH]M:1305 |
37 |
1 |
1329 |
◊ |
[BCL]M:1303 |
x,y,z |
1_555 |
19 |
1 |
1354 |
224.2 |
-0.2 |
0.764 |
0 |
0 |
0 |
0.001 |
20 |
|
[BCL]M:1302 |
28 |
1 |
1190 |
◊ |
L |
x,y,z |
1_555 |
34 |
8 |
17751 |
223.3 |
-3.7 |
0.592 |
2 |
0 |
0 |
0.021 |
21 |
|
[BPH]L:1284 |
34 |
1 |
1325 |
f |
M |
x,y,z |
1_555 |
31 |
10 |
18765 |
220.2 |
-7.2 |
0.198 |
0 |
0 |
0 |
0.083 |
22 |
|
[BCL]L:1283 |
27 |
1 |
1174 |
◊ |
M |
x,y,z |
1_555 |
31 |
9 |
18765 |
212.6 |
-2.7 |
0.546 |
0 |
0 |
0 |
0.012 |
23 |
|
[LDA]L:701 |
14 |
1 |
528 |
f |
M |
x,y,z |
1_555 |
26 |
9 |
18765 |
181.3 |
-1.7 |
0.154 |
0 |
0 |
0 |
0.020 |
24 |
|
[BCL]L:1283 |
23 |
1 |
1174 |
f |
[BCL]L:1282 |
x,y,z |
1_555 |
26 |
1 |
1335 |
175.9 |
-0.8 |
0.641 |
0 |
0 |
0 |
0.003 |
25 |
|
[BPH]L:1284 |
35 |
1 |
1325 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
21 |
1 |
1335 |
173.7 |
-0.5 |
0.724 |
0 |
0 |
0 |
0.002 |
26 |
|
[BCL]M:1302 |
21 |
1 |
1190 |
f |
[BCL]M:1303 |
x,y,z |
1_555 |
28 |
1 |
1354 |
167.4 |
0.1 |
0.697 |
0 |
0 |
0 |
0.000 |
27 |
|
[SPN]M:1307 |
21 |
1 |
1154 |
f |
[BCL]M:1302 |
x,y,z |
1_555 |
23 |
1 |
1190 |
160.7 |
-0.5 |
0.591 |
0 |
0 |
0 |
0.006 |
28 |
|
[LDA]L:702 |
14 |
1 |
513 |
◊ |
H |
x,y,z |
1_555 |
23 |
9 |
14400 |
157.0 |
0.2 |
0.272 |
0 |
0 |
0 |
0.000 |
29 |
|
H |
16 |
7 |
14400 |
◊ |
H |
y,x,-z+1 |
4_556 |
16 |
7 |
14400 |
151.9 |
-2.5 |
0.423 |
3 |
0 |
0 |
0.000 |
30 |
|
[BCL]M:1303 |
28 |
1 |
1354 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
29 |
1 |
1335 |
150.5 |
-3.5 |
0.532 |
0 |
0 |
0 |
0.015 |
31 |
|
[LDA]L:704 |
12 |
1 |
517 |
◊ |
M |
x,y,z |
1_555 |
19 |
8 |
18765 |
146.9 |
2.6 |
0.511 |
0 |
0 |
0 |
0.000 |
32 |
|
[BPH]M:1305 |
15 |
1 |
1329 |
◊ |
[BCL]M:1302 |
x,y,z |
1_555 |
26 |
1 |
1190 |
145.0 |
-0.4 |
0.671 |
0 |
0 |
0 |
0.002 |
33 |
|
[U10]L:1285 |
15 |
1 |
1139 |
◊ |
[BCL]M:1302 |
x,y,z |
1_555 |
15 |
1 |
1190 |
138.3 |
-2.8 |
0.589 |
0 |
0 |
0 |
0.012 |
34 |
|
[LDA]L:706 |
11 |
1 |
411 |
f |
H |
x,y,z |
1_555 |
20 |
5 |
14400 |
134.9 |
2.2 |
0.072 |
0 |
0 |
0 |
0.000 |
35 |
|
H |
18 |
5 |
14400 |
◊ |
L |
x-y,-y+1,-z+2/3 |
5_565 |
16 |
7 |
17751 |
134.8 |
-1.2 |
0.737 |
0 |
0 |
0 |
0.000 |
36 |
|
[BCL]M:1303 |
21 |
1 |
1354 |
◊ |
L |
x,y,z |
1_555 |
23 |
8 |
17751 |
129.5 |
-1.5 |
0.698 |
0 |
0 |
0 |
0.007 |
37 |
|
[LDA]L:701 |
11 |
1 |
528 |
◊ |
H |
x,y,z |
1_555 |
12 |
6 |
14400 |
116.6 |
-0.9 |
0.107 |
0 |
0 |
0 |
0.011 |
38 |
|
[LDA]L:702 |
13 |
1 |
513 |
◊ |
M |
x,y,z |
1_555 |
17 |
6 |
18765 |
113.2 |
0.3 |
0.288 |
0 |
0 |
0 |
0.000 |
39 |
|
[LDA]L:707 |
7 |
1 |
299 |
f |
H |
x,y,z |
1_555 |
13 |
5 |
14400 |
104.0 |
2.7 |
0.506 |
0 |
0 |
0 |
0.000 |
40 |
|
[BCL]L:1282 |
16 |
1 |
1335 |
◊ |
M |
x,y,z |
1_555 |
15 |
7 |
18765 |
99.0 |
-2.4 |
0.455 |
0 |
0 |
0 |
0.010 |
41 |
|
[U10]M:1308 |
15 |
1 |
1174 |
◊ |
[BPH]L:1284 |
x,y,z |
1_555 |
6 |
1 |
1325 |
93.0 |
-1.6 |
0.624 |
0 |
0 |
0 |
0.007 |
42 |
|
[LDA]L:703 |
12 |
1 |
518 |
◊ |
[LDA]L:702 |
x,y,z |
1_555 |
11 |
1 |
513 |
92.3 |
3.1 |
0.192 |
0 |
0 |
0 |
0.000 |
43 |
|
[LDA]L:704 |
8 |
1 |
517 |
f |
L |
x,y,z |
1_555 |
10 |
3 |
17751 |
90.3 |
1.0 |
0.452 |
0 |
0 |
0 |
0.000 |
44 |
|
[PO4]H:1246 |
5 |
1 |
189 |
f |
H |
x,y,z |
1_555 |
15 |
7 |
14400 |
87.7 |
-5.8 |
0.756 |
4 |
0 |
0 |
0.087 |
45 |
|
[BCL]L:1283 |
11 |
1 |
1174 |
◊ |
[LDA]L:701 |
x,y,z |
1_555 |
10 |
1 |
528 |
84.4 |
2.1 |
0.464 |
0 |
0 |
0 |
0.000 |
46 |
|
[U10]M:1308 |
7 |
1 |
1174 |
◊ |
[LDA]L:703 |
x,y,z |
1_555 |
8 |
1 |
518 |
76.1 |
1.6 |
0.498 |
0 |
0 |
0 |
0.000 |
47 |
|
[PO4]M:1306 |
4 |
1 |
188 |
f |
M |
x,y,z |
1_555 |
8 |
5 |
18765 |
72.8 |
-3.8 |
0.860 |
3 |
0 |
0 |
0.059 |
48 |
|
[U10]L:1285 |
9 |
1 |
1139 |
◊ |
M |
x,y,z |
1_555 |
8 |
4 |
18765 |
67.8 |
-1.9 |
0.545 |
0 |
0 |
0 |
0.008 |
49 |
|
[LDA]L:705 |
7 |
1 |
517 |
◊ |
H |
x,y,z |
1_555 |
10 |
1 |
14400 |
62.4 |
0.2 |
0.307 |
0 |
0 |
0 |
0.000 |
50 |
|
[PO4]H:1246 |
5 |
1 |
189 |
◊ |
M |
x,y,z |
1_555 |
13 |
6 |
18765 |
60.8 |
-3.5 |
0.915 |
2 |
0 |
0 |
0.051 |
51 |
|
[LDA]L:703 |
8 |
1 |
518 |
◊ |
M |
x,y,z |
1_555 |
9 |
3 |
18765 |
59.3 |
2.1 |
0.537 |
0 |
0 |
0 |
0.000 |
52 |
|
[BCL]L:1283 |
8 |
1 |
1174 |
f |
[LDA]L:705 |
x,y,z |
1_555 |
6 |
1 |
517 |
57.4 |
1.4 |
0.471 |
0 |
0 |
0 |
0.000 |
53 |
|
[LDA]L:703 |
7 |
1 |
518 |
◊ |
L |
x,y,z |
1_555 |
5 |
2 |
17751 |
57.4 |
0.7 |
0.279 |
0 |
0 |
0 |
0.000 |
54 |
|
[LDA]L:707 |
6 |
1 |
299 |
◊ |
[LDA]L:705 |
x,y,z |
1_555 |
6 |
1 |
517 |
56.8 |
3.7 |
0.654 |
0 |
0 |
0 |
0.000 |
55 |
|
L |
5 |
1 |
17751 |
x |
L |
-y+1,x-y,z+1/3 |
2_655 |
6 |
2 |
17751 |
54.2 |
1.1 |
0.908 |
2 |
4 |
0 |
0.000 |
56 |
|
[U10]M:1308 |
9 |
1 |
1174 |
f |
[LDA]L:702 |
x,y,z |
1_555 |
5 |
1 |
513 |
53.4 |
0.2 |
0.484 |
0 |
0 |
0 |
0.000 |
57 |
|
[LDA]L:703 |
4 |
1 |
518 |
f |
H |
x,y,z |
1_555 |
6 |
4 |
14400 |
51.9 |
-1.0 |
0.227 |
0 |
0 |
0 |
0.012 |
58 |
|
[FE]M:1304 |
1 |
1 |
137 |
f |
M |
x,y,z |
1_555 |
8 |
5 |
18765 |
48.6 |
-8.4 |
0.000 |
0 |
0 |
0 |
0.097 |
59 |
|
[FE]M:1304 |
1 |
1 |
137 |
◊ |
L |
x,y,z |
1_555 |
7 |
3 |
17751 |
45.0 |
-6.6 |
0.000 |
0 |
0 |
0 |
0.030 |
60 |
|
[U10]M:1308 |
7 |
1 |
1174 |
f |
[BCL]L:1282 |
x,y,z |
1_555 |
4 |
1 |
1335 |
44.2 |
-0.4 |
0.689 |
0 |
0 |
0 |
0.002 |
61 |
|
[LDA]L:705 |
5 |
1 |
517 |
◊ |
[LDA]L:701 |
x,y,z |
1_555 |
5 |
1 |
528 |
44.0 |
1.2 |
0.245 |
0 |
0 |
0 |
0.000 |
62 |
|
[BCL]M:1302 |
6 |
1 |
1190 |
◊ |
[BCL]L:1282 |
x,y,z |
1_555 |
8 |
1 |
1335 |
43.1 |
-1.3 |
0.465 |
0 |
0 |
0 |
0.006 |
63 |
|
[BCL]L:1283 |
5 |
1 |
1174 |
◊ |
[BCL]M:1303 |
x,y,z |
1_555 |
8 |
1 |
1354 |
39.3 |
-1.2 |
0.456 |
0 |
0 |
0 |
0.005 |
64 |
|
[LDA]L:705 |
8 |
1 |
517 |
◊ |
[LDA]L:703 |
x,y,z |
1_555 |
4 |
1 |
518 |
38.0 |
0.4 |
0.148 |
0 |
0 |
0 |
0.000 |
65 |
|
[LDA]L:707 |
4 |
1 |
299 |
f |
[LDA]L:706 |
x,y,z |
1_555 |
4 |
1 |
411 |
36.8 |
2.4 |
0.208 |
0 |
0 |
0 |
0.000 |
66 |
|
[U10]M:1308 |
4 |
1 |
1174 |
f |
[BCL]L:1283 |
x,y,z |
1_555 |
4 |
1 |
1174 |
35.4 |
0.5 |
0.718 |
0 |
0 |
0 |
0.000 |
67 |
|
[LDA]L:702 |
2 |
1 |
513 |
◊ |
[LDA]L:701 |
x,y,z |
1_555 |
5 |
1 |
528 |
30.8 |
0.3 |
0.181 |
0 |
0 |
0 |
0.000 |
68 |
|
[BCL]L:1282 |
2 |
1 |
1335 |
◊ |
[LDA]L:703 |
x,y,z |
1_555 |
3 |
1 |
518 |
30.1 |
0.2 |
0.382 |
0 |
0 |
0 |
0.000 |
69 |
|
[LDA]L:706 |
2 |
1 |
411 |
◊ |
[LDA]L:702 |
x,y,z |
1_555 |
4 |
1 |
513 |
29.9 |
1.9 |
0.229 |
0 |
0 |
0 |
0.000 |
70 |
|
[LDA]L:707 |
1 |
1 |
299 |
◊ |
[LDA]L:701 |
x,y,z |
1_555 |
7 |
1 |
528 |
25.4 |
1.7 |
0.382 |
0 |
0 |
0 |
0.000 |
71 |
|
[BCL]L:1282 |
3 |
1 |
1335 |
f |
[LDA]L:705 |
x,y,z |
1_555 |
3 |
1 |
517 |
24.8 |
0.2 |
0.367 |
0 |
0 |
0 |
0.000 |
72 |
|
[LDA]L:701 |
3 |
1 |
528 |
◊ |
L |
x,y,z |
1_555 |
2 |
1 |
17751 |
21.8 |
-0.3 |
0.239 |
0 |
0 |
0 |
0.001 |
73 |
|
[BCL]L:1283 |
3 |
1 |
1174 |
◊ |
[LDA]L:703 |
x,y,z |
1_555 |
2 |
1 |
518 |
19.9 |
0.2 |
0.343 |
0 |
0 |
0 |
0.000 |
74 |
|
[LDA]L:706 |
1 |
1 |
411 |
f |
[LDA]L:703 |
x,y,z |
1_555 |
3 |
1 |
518 |
18.8 |
1.1 |
0.160 |
0 |
0 |
0 |
0.000 |
75 |
|
[U10]M:1308 |
1 |
1 |
1174 |
◊ |
[LDA]L:701 |
x,y,z |
1_555 |
3 |
1 |
528 |
17.6 |
-0.3 |
0.271 |
0 |
0 |
0 |
0.001 |
76 |
|
[LDA]L:707 |
1 |
1 |
299 |
f |
[LDA]L:703 |
x,y,z |
1_555 |
1 |
1 |
518 |
15.7 |
0.3 |
0.516 |
0 |
0 |
0 |
0.000 |
77 |
|
[LDA]L:707 |
2 |
1 |
299 |
◊ |
[LDA]L:702 |
x,y,z |
1_555 |
2 |
1 |
513 |
15.5 |
0.4 |
0.389 |
0 |
0 |
0 |
0.000 |
78 |
|
[BCL]L:1283 |
3 |
1 |
1174 |
f |
[LDA]L:702 |
x,y,z |
1_555 |
1 |
1 |
513 |
14.0 |
0.2 |
0.462 |
0 |
0 |
0 |
0.000 |
79 |
|
[SPN]M:1307 |
3 |
1 |
1154 |
◊ |
[BPH]M:1305 |
x,y,z |
1_555 |
1 |
1 |
1329 |
13.8 |
-0.4 |
0.387 |
0 |
0 |
0 |
0.002 |
80 |
|
[U10]L:1285 |
2 |
1 |
1139 |
f |
[LDA]L:704 |
x,y,z |
1_555 |
1 |
1 |
517 |
11.7 |
-0.4 |
0.401 |
0 |
0 |
0 |
0.002 |
81 |
|
[LDA]L:702 |
1 |
1 |
513 |
f |
L |
x,y,z |
1_555 |
3 |
2 |
17751 |
9.7 |
-0.3 |
0.398 |
0 |
0 |
0 |
0.001 |
82 |
|
[BPH]M:1305 |
1 |
1 |
1329 |
f |
[U10]L:1285 |
x,y,z |
1_555 |
2 |
1 |
1139 |
9.4 |
-0.3 |
0.493 |
0 |
0 |
0 |
0.001 |
83 |
|
[U10]M:1308 |
1 |
1 |
1174 |
◊ |
H |
x,y,z |
1_555 |
3 |
2 |
14400 |
2.3 |
0.1 |
0.675 |
0 |
0 |
0 |
0.000 |
84 |
|
[U10]L:1285 |
1 |
1 |
1139 |
◊ |
H |
x,y,z |
1_555 |
1 |
1 |
14400 |
2.0 |
-0.0 |
0.698 |
0 |
0 |
0 |
0.000 |
85 |
|
[FE]M:1304 |
1 |
1 |
137 |
◊ |
[U10]L:1285 |
x,y,z |
1_555 |
1 |
1 |
1139 |
0.4 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
86 |
|
[SPN]M:1307 |
1 |
1 |
1154 |
f |
[BCL]M:1303 |
x,y,z |
1_555 |
1 |
1 |
1354 |
0.2 |
0.0 |
0.645 |
0 |
0 |
0 |
0.000 |
87 |
|
[U10]M:1308 |
1 |
1 |
1174 |
◊ |
[FE]M:1304 |
x,y,z |
1_555 |
1 |
1 |
137 |
0.1 |
-0.0 |
0.000 |
0 |
0 |
0 |
0.000 |
|