Table 1 Docking score analysis of Survivin interaction with cIAP1 and NAIP.
From: Restoring apoptosis in breast cancer via peptide mediated disruption of survivin IAP interaction
Energy (Kcal/mol) | |||
|---|---|---|---|
Cluster | Members | Representative | Weighted score |
A | BIR1 | ||
0 | 102 | Center | − 657.8 |
0 | 102 | Lowest energy | − 751.9 |
1 | 93 | Center | − 670.8 |
1 | 93 | Lowest energy | − 728.5 |
2 | 84 | Center | − 768.7 |
2 | 84 | Lowest energy | − 857 |
3 | 83 | Center | − 693.1 |
3 | 83 | Lowest energy | − 717.8 |
B | BIR2 | ||
0 | 236 | Center | − 705.2 |
0 | 236 | Lowest energy | − 848.8 |
1 | 71 | Center | − 735.4 |
1 | 71 | Lowest energy | − 735.4 |
2 | 64 | Center | − 634.2 |
2 | 64 | Lowest energy | − 787.1 |
3 | 60 | Center | − 628.5 |
3 | 60 | Lowest energy | − 701.5 |
C | BIR3 | ||
0 | 191 | Center | − 710.7 |
0 | 191 | Lowest energy | − 749.2 |
1 | 136 | Center | − 735.1 |
1 | 136 | Lowest energy | − 735.1 |
2 | 127 | Center | − 677.8 |
2 | 127 | Lowest energy | − 778 |
3 | 89 | Center | − 618.6 |
3 | 89 | Lowest energy | − 710.5 |
D | CARD | ||
0 | 117 | Center | − 634.8 |
0 | 117 | Lowest energy | − 778.4 |
1 | 108 | Center | − 735.2 |
1 | 108 | Lowest energy | − 765.2 |
2 | 92 | Center | − 690.7 |
2 | 92 | Lowest energy | − 774.1 |
3 | 65 | Center | − 627.2 |
3 | 65 | Lowest energy | − 745.4 |
E | RING | ||
0 | 121 | Center | − 694.7 |
0 | 121 | Lowest energy | − 780.5 |
1 | 71 | Center | − 653.1 |
1 | 71 | Lowest energy | − 775 |
2 | 64 | Center | − 661.2 |
2 | 64 | Lowest energy | − 777.5 |
3 | 50 | Center | − 659.4 |
3 | 50 | Lowest energy | − 744.6 |
F | Full − length CIAP1 | ||
0 | 112 | Center | − 904.4 |
0 | 112 | Lowest energy | − 904.4 |
1 | 89 | Center | − 896.1 |
1 | 89 | Lowest energy | − 896.1 |
2 | 77 | Center | − 822.5 |
2 | 77 | Lowest energy | − 831.5 |
3 | 74 | Center | − 832.9 |
3 | 74 | Lowest energy | − 989.1 |
G | Full − length NAIP | ||
0 | 94 | Center | − 833.2 |
0 | 94 | Lowest energy | − 992.7 |
1 | 58 | Center | − 758.3 |
1 | 58 | Lowest energy | − 964.6 |
2 | 49 | Center | − 768.4 |
2 | 49 | Lowest energy | − 820.2 |
3 | 42 | Center | − 793.2 |
3 | 42 | Lowest energy | − 932.1 |
