Name of Query Ligand: HN3_A_1049_tran
Name of Template Ligand: 2SK_A_5009
Atom Number of Query Ligand: 46
Atom Number of Template Ligand: 38
Rigid LS-align Results
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PC-score:
PC-score = 0.5078 P-value = 0.061482 (if normalized by atom number of Query Ligand)
PC-score = 0.6207 P-value = 0.010690 (if normalized by atom number of Template Ligand)
(You should use PC-score normalized by the atom number of the reference ligand)
-
Jaccard Ratio: 0.2903
-
RMSDLS: 9.7226
-
Alignment Information:
(":" denotes aligned atom pairs of d < 1.0 A, "." denotes other aligned atoms)
Query Atom Index: |
|
1 |
2 |
4 |
5 |
8 |
9 |
16 |
19 |
21 |
Query Atom Type: |
|
O |
O |
O |
N |
C |
C |
C |
C |
C |
Aligned Tag: |
|
: |
: |
: |
: |
: |
: |
: |
: |
: |
Templ Atom Type: |
|
O |
O |
O |
C |
C |
N |
C |
C |
C |
Templ Atom Index: |
|
2 |
4 |
3 |
13 |
7 |
5 |
14 |
15 |
17 |
|
Visualization (Query ligand in yellow and template ligand in red)
|