Table 2.
Sequences designed on flexible backbones that were chosen for experimental characterization.
| Sequences* | energy on NM bb (kcal/mol) | energy on x-ray bb (kcal/mol) | |
|---|---|---|---|
| Bim | LRPEIRIAQELRRIGDEFNETYTRRV | 0 | |
| BimL11F | ---E--IA--FR-IGD-FN--Y---- | −4.4† | 6.6 |
| BimD16K | ---E--IA--LR-IGK-FN--Y---- | 2.2† | 6.7 |
| X1 | ---N--IA--MV-IAR-FH--H---- | −2.9 | |
| X2 | ---V--VG--MM-IGR-FF--H---- | −2.1 | |
| N1 | ---F--VA--LM-FAH-FD--H---- | −14.3 | 8.3 |
| N2 | ---V--VA--LM-MGK-FY--M---- | −6.7 | 23.0 |
| I1 | ---H--IV--FK-FGN-IQ--K---- | −10.4 | 30.8 |
| I2 | ---F--IA--FM-FAQ-MY--I---- | −4.5 | 26.0 |
| I3 | ---L--LI--LQ-LGY-FN--A---- | −2.6 | 29.1 |
| Ip1 | ---A--LA--MR-FAR-FE--A---- | −10.7 | 2.2 |
| Ip2 | ---R--VA--LE-MAN-LR--N---- | −10.3 | 15.1 |
| Ip3 | ---I--AA--LQ-FAM-FR--D---- | −10.1 | 13.7 |
| Ip4 | ---M--IA--LR-FAR-FR--D---- | −9.8 | 7.3 |
| N2-Y19N | ---V--VA--LM-MGK-FN--M---- | −0.1† | 9.5 |
| I3-I8A | ---L--LA--LQ-LGY-FN--A---- | 3.3† | 3.3 |
| N3 | ---V--VG--LM-IAR-FD--T---- | −7.8 | 7.6 |
| N4 | ---F--VA--LN-IAK-FH--F---- | −2.7 | 4.1 |
All energies are relative to the energy of the x-ray structure of Bcl-xL/Bim. Dashes indicate the native Bim residue at that position
The first Leu was mutated to Glu in experimental tests for all sequences except Bim, BimL11F and BimD16K, see text.
Sequences for point mutants were evaluated on all backbones. The lowest energy is reported.