| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 41.2 | Very low | 66.8 | Low | 218 Ų | 218 | 144.4 Ų | 144.4 | 100% | 1.074 | 70% | 0.702 | S | S | * | * | 0 | -5.1 | 0 | -107.2 | -177.9 | -139.4 | 0 | 0 | 114.4 | |||||
| 2 | Y | 44 | Very low | 69.1 | Low | 225 Ų | 225 | 139.7 Ų | 139.7 | 88% | 0.882 | 69% | 0.688 | S | S | * | * | trans | -113.9 | 21.3 | -167 | -64.6 | -77.3 | 0 | 0 | 0 | 116.3 | ||||
| 3 | H | 45.3 | Very low | 71 | Confident | 197 Ų | 197 | 130 Ų | 130 | 91% | 0.912 | 64% | 0.641 | S | S | * | * | trans | -107.7 | 19.4 | 175.4 | -72.3 | -58 | 0 | 0 | 0 | 113.4 | ||||
| 4 | L | 50.5 | Low | 72.7 | Confident | 135 Ų | 135 | 122.2 Ų | 122.2 | 71% | 0.707 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -73.4 | 138.3 | 168.8 | -70.6 | 167.7 | 0 | 0 | 0 | 108.7 | V6 | L4-V6 PolarHBondContact O-N 3.1Š|
| 5 | P | 56.3 | Low | 74.3 | Confident | 135 Ų | 135 | 119.2 Ų | 119.2 | 88% | 0.877 | 59% | 0.587 | S | S | * | * | trans | -63.8 | 104.4 | 174.1 | 23.3 | -29.7 | 0 | 0 | 0 | 109.3 | ||||
| 6 | V | 69.8 | Low | 75.7 | Confident | 116 Ų | 116 | 117.9 Ų | 117.9 | 70% | 0.703 | 57% | 0.573 | S | S | * | * | trans | -95.5 | 133.8 | 173.3 | 179 | 0 | 0 | 0 | 0 | 108.1 | L4 K8 | L4-V6 PolarHBondContact O-N 3.1Å; V6-K8 PolarHBondContact O-N 2.94Å; V6-K8 VanDerWaalsContact O-N 3.1Å | ||
| 7 | L | 74 | Confident | 76.9 | Confident | 173 Ų | 173 | 111.1 Ų | 111.1 | 91% | 0.906 | 54% | 0.54 | S | S | * | . | trans | -60.9 | 113.4 | 171.6 | -175.5 | 73.6 | 0 | 0 | 0 | 108.9 | ||||
| 8 | K | 81.9 | Confident | 77.9 | Confident | 75 Ų | 75 | 108 Ų | 108 | 33% | 0.326 | 53% | 0.525 | S | S | . | . | trans | -85.2 | 124.5 | 176.6 | -55.8 | -170.1 | -172 | 172.1 | 0 | 109.6 | V6 L13 F214 N217 E218 | V6-K8 PolarHBondContact O-N 2.94Å; V6-K8 VanDerWaalsContact O-N 3.1Å; K8-L13 HydrophobicContact CB-CD1 3.63Å; K8-L13 HydrophobicContact CB-CD2 4.15Å; K8-L13 HydrophobicContact CB-CG 3.98Å; K8-L13 HydrophobicContact CD-CD1 3.82Å; K8-L13 HydrophobicContact CD-CD2 4.14Å; K8-L13 HydrophobicContact CD-CG 4.5Å; K8-L13 HydrophobicContact CG-CD1 4.37Å; K8-F214 HydrophobicContact CB-CE1 4.12Å; K8-F214 HydrophobicContact CD-CD1 4.12Å; K8-F214 HydrophobicContact CD-CE1 3.73Å; K8-F214 HydrophobicContact CG-CE1 4.13Å; K8-N217 PolarHBondContact NZ-ND2 2.94Å; K8-E218 IonicContact NZ-OE1 3.4Å; K8-E218 PolarHBondContact NZ-OE1 3.28Å | ||
| 9 | N | 89.8 | Confident | 78.9 | Confident | 93 Ų | 93 | 105.7 Ų | 105.7 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | trans | -74.8 | 130.7 | 177.9 | -179.7 | -78.6 | 0 | 0 | 0 | 111 | R11 T12 L13 | N9-R11 PolarHBondContact O-N 3.29Å; N9-R11 WeakPolarHBondContact OD1-CB 3.4Å; N9-R11 PolarHBondContact OD1-N 2.75Å; N9-T12 PolarHBondContact O-N 3.43Å; N9-T12 PolarHBondContact OD1-N 2.65Å; N9-L13 WeakPolarHBondContact O-CG 3.42Å; N9-L13 PolarHBondContact O-N 3.33Å; N9-L13 VanDerWaalsContact O-N 3.09Å | ||
| 10 | R | 90.3 | Very high | 79.9 | Confident | 48 Ų | 48 | 101.7 Ų | 101.7 | 18% | 0.181 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -55 | -51.1 | -177.5 | -179.1 | 173.5 | -179.9 | -87.7 | -5 | 112.9 | T12 L13 L14 V199 E204 Y210 L213 | R10-T12 PolarHBondContact O-N 3.21Å; R10-L13 PolarHBondContact O-N 3Å; R10-L14 WeakPolarHBondContact O-CB 3.46Å; R10-L14 PolarHBondContact O-N 2.97Å; R10-V199 PolarHBondContact NH2-O 3.41Å; R10-E204 WeakPolarHBondContact CD-OE1 3.48Å; R10-E204 IonicContact CZ-OE1 3.99Å; R10-E204 IonicContact NE-OE1 2.65Å; R10-E204 IonicContact NH1-OE1 3.77Å; R10-E204 PolarHBondContact NH1-OE1 3.48Å; R10-Y210 HydrophobicContact CB-CE1 4.38Å; R10-Y210 HydrophobicContact CG-CE1 4.44Å; R10-L213 HydrophobicContact CB-CD2 4.18Å; R10-L213 HydrophobicContact CG-CD2 3.67Å |
| 11 | R | 92.4 | Very high | 80.7 | Confident | 173 Ų | 173 | 97.6 Ų | 97.6 | 65% | 0.653 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -59.9 | -47.3 | -178 | 179.3 | -179.5 | 174.1 | 178 | 0.1 | 111.1 | N9 L13 L14 E15 | N9-R11 PolarHBondContact O-N 3.29Å; N9-R11 WeakPolarHBondContact OD1-CB 3.4Å; N9-R11 PolarHBondContact OD1-N 2.75Å; R11-L13 VanDerWaalsContact C-N 3.34Å; R11-L13 PolarHBondContact O-N 3.5Å; R11-L14 PolarHBondContact O-N 3.03Å; R11-E15 HydrophobicContact CG-CG 4.37Å; R11-E15 WeakPolarHBondContact CG-OE1 3.17Å; R11-E15 IonicContact CZ-OE1 3.5Å; R11-E15 IonicContact NE-OE1 3.94Å; R11-E15 PolarHBondContact NE-OE1 3.5Å; R11-E15 IonicContact NH2-OE1 3.38Å; R11-E15 PolarHBondContact NH2-OE1 3.38Å; R11-E15 WeakPolarHBondContact O-CB 3.48Å; R11-E15 WeakPolarHBondContact O-CG 3.46Å; R11-E15 PolarHBondContact O-N 3.01Å |
| 12 | T | 94.1 | Very high | 83.3 | Confident | 88 Ų | 88 | 88.1 Ų | 88.1 | 54% | 0.54 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 179.8 | -51.9 | 0 | 0 | 0 | 0 | 112.1 | N9 R10 R16 | N9-T12 PolarHBondContact O-N 3.43Å; N9-T12 PolarHBondContact OD1-N 2.65Å; R10-T12 PolarHBondContact O-N 3.21Å; T12-R16 VanDerWaalsContact O-CB 3.23Å; T12-R16 WeakPolarHBondContact O-CB 3.41Å; T12-R16 PolarHBondContact O-N 3.11Å |
| 13 | L | 94.3 | Very high | 85.6 | Confident | 14 Ų | 14 | 82.5 Ų | 82.5 | 7% | 0.073 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -67.2 | -41.8 | 178 | -67.2 | -163.2 | 0 | 0 | 0 | 112.5 | K8 N9 R10 R11 R16 A17 L213 F214 N217 | K8-L13 HydrophobicContact CB-CD1 3.63Å; K8-L13 HydrophobicContact CB-CD2 4.15Å; K8-L13 HydrophobicContact CB-CG 3.98Å; K8-L13 HydrophobicContact CD-CD1 3.82Å; K8-L13 HydrophobicContact CD-CD2 4.14Å; K8-L13 HydrophobicContact CD-CG 4.5Å; K8-L13 HydrophobicContact CG-CD1 4.37Å; N9-L13 WeakPolarHBondContact O-CG 3.42Å; N9-L13 PolarHBondContact O-N 3.33Å; N9-L13 VanDerWaalsContact O-N 3.09Å; R10-L13 PolarHBondContact O-N 3Å; R11-L13 VanDerWaalsContact C-N 3.34Å; R11-L13 PolarHBondContact O-N 3.5Å; L13-R16 PolarHBondContact O-N 2.79Å; L13-A17 PolarHBondContact O-N 2.85Å; L13-L213 HydrophobicContact CB-CD1 3.59Å; L13-L213 HydrophobicContact CB-CD2 4.1Å; L13-L213 HydrophobicContact CB-CG 3.86Å; L13-L213 HydrophobicContact CD1-CD2 4.26Å; L13-L213 HydrophobicContact CD1-CG 4.01Å; L13-F214 HydrophobicContact CD1-CD1 4.47Å; L13-F214 HydrophobicContact CD1-CE1 4.42Å; L13-N217 HydrophobicContact CD1-CB 4.15Å; L13-N217 HydrophobicContact CD2-CB 4.28Å; L13-N217 VanDerWaalsContact CD2-OD1 3.26Å; L13-N217 WeakPolarHBondContact CD2-OD1 3.43Å |
| 14 | L | 94.8 | Very high | 88 | Confident | 21 Ų | 21 | 79.4 Ų | 79.4 | 11% | 0.11 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.8 | -52 | -179.2 | 178.8 | 58.9 | 0 | 0 | 0 | 110.4 | R10 R11 R16 A17 E18 V196 V199 K200 L213 | R10-L14 WeakPolarHBondContact O-CB 3.46Å; R10-L14 PolarHBondContact O-N 2.97Å; R11-L14 PolarHBondContact O-N 3.03Å; L14-R16 PolarHBondContact O-N 3.09Å; L14-A17 PolarHBondContact O-N 3.21Å; L14-A17 VanDerWaalsContact O-N 3.09Å; L14-E18 HydrophobicContact CD1-CG 4.45Å; L14-E18 WeakPolarHBondContact O-CG 3.4Å; L14-E18 PolarHBondContact O-N 3.34Å; L14-V196 HydrophobicContact CD1-CG1 3.99Å; L14-V199 HydrophobicContact CD1-CB 4.21Å; L14-V199 HydrophobicContact CD1-CG1 3.95Å; L14-V199 HydrophobicContact CD2-CG1 4.3Å; L14-K200 HydrophobicContact CD2-CG 4.46Å; L14-L213 HydrophobicContact CB-CD1 4.13Å |
| 15 | E | 95.9 | Very high | 90.2 | Very high | 77 Ų | 77 | 78.7 Ų | 78.7 | 36% | 0.36 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.5 | -39.9 | 177.2 | -72.2 | -179.4 | -168.9 | 0 | 0 | 110.7 | R11 A17 E18 K19 | R11-E15 HydrophobicContact CG-CG 4.37Å; R11-E15 WeakPolarHBondContact CG-OE1 3.17Å; R11-E15 IonicContact CZ-OE1 3.5Å; R11-E15 IonicContact NE-OE1 3.94Å; R11-E15 PolarHBondContact NE-OE1 3.5Å; R11-E15 IonicContact NH2-OE1 3.38Å; R11-E15 PolarHBondContact NH2-OE1 3.38Å; R11-E15 WeakPolarHBondContact O-CB 3.48Å; R11-E15 WeakPolarHBondContact O-CG 3.46Å; R11-E15 PolarHBondContact O-N 3.01Å; E15-A17 PolarHBondContact O-N 3.46Å; E15-E18 PolarHBondContact O-N 2.97Å; E15-K19 VanDerWaalsContact O-CG 3.26Å; E15-K19 WeakPolarHBondContact O-CG 3.36Å; E15-K19 PolarHBondContact O-N 3.36Å |
| 16 | R | 96.2 | Very high | 92 | Very high | 99 Ų | 99 | 78.1 Ų | 78.1 | 37% | 0.374 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.6 | -47.9 | 175 | -179.1 | -175.9 | -179.1 | -151.1 | 0.5 | 111.9 | T12 L13 L14 K19 F20 N217 V220 N221 | T12-R16 VanDerWaalsContact O-CB 3.23Å; T12-R16 WeakPolarHBondContact O-CB 3.41Å; T12-R16 PolarHBondContact O-N 3.11Å; L13-R16 PolarHBondContact O-N 2.79Å; L14-R16 PolarHBondContact O-N 3.09Å; R16-K19 PolarHBondContact O-N 3.23Å; R16-F20 PolarHBondContact O-N 2.76Å; R16-F20 VanDerWaalsContact O-N 3.1Å; R16-N217 PolarHBondContact NH1-OD1 3.04Å; R16-V220 HydrophobicContact CG-CG1 4.42Å; R16-N221 PolarHBondContact NH1-OD1 3.07Å; R16-N221 PolarHBondContact NH2-OD1 3.29Å |
| 17 | A | 95.9 | Very high | 93.2 | Very high | 1 Ų | 1 | 75.5 Ų | 75.5 | 1% | 0.008 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L13 L14 E15 K19 F20 I21 V196 A216 | L13-A17 PolarHBondContact O-N 2.85Å; L14-A17 PolarHBondContact O-N 3.21Å; L14-A17 VanDerWaalsContact O-N 3.09Å; E15-A17 PolarHBondContact O-N 3.46Å; A17-K19 PolarHBondContact O-N 3.17Å; A17-F20 WeakPolarHBondContact O-CB 3.31Å; A17-F20 PolarHBondContact O-N 3.28Å; A17-F20 VanDerWaalsContact O-N 3.15Å; A17-I21 PolarHBondContact O-N 3.48Å; A17-V196 HydrophobicContact CB-CG2 3.8Å; A17-A216 HydrophobicContact CB-CB 4.36Å |
| 18 | E | 96.6 | Very high | 94.1 | Very high | 56 Ų | 56 | 72.5 Ų | 72.5 | 26% | 0.262 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 176.2 | -69.6 | 178.5 | 140.8 | 0 | 0 | 112.4 | L14 E15 F20 I21 S22 V196 K200 | L14-E18 HydrophobicContact CD1-CG 4.45Å; L14-E18 WeakPolarHBondContact O-CG 3.4Å; L14-E18 PolarHBondContact O-N 3.34Å; E15-E18 PolarHBondContact O-N 2.97Å; E18-F20 VanDerWaalsContact C-N 3.29Å; E18-F20 PolarHBondContact O-N 2.99Å; E18-I21 PolarHBondContact O-N 3.23Å; E18-S22 WeakPolarHBondContact O-CB 3.18Å; E18-S22 PolarHBondContact O-N 3.35Å; E18-S22 VanDerWaalsContact O-N 3.11Å; E18-V196 HydrophobicContact CG-CG1 3.98Å; E18-K200 WeakPolarHBondContact OE1-CE 3.29Å; E18-K200 IonicContact OE1-NZ 3.45Å; E18-K200 PolarHBondContact OE1-NZ 3.15Å |
| 19 | K | 96.9 | Very high | 94.6 | Very high | 65 Ų | 65 | 71.6 Ų | 71.6 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -69 | -28.1 | 178.1 | -63.2 | -44.4 | 175.2 | -171.4 | 0 | 112.7 | E15 R16 A17 I21 Y25 F26 N30 | E15-K19 VanDerWaalsContact O-CG 3.26Å; E15-K19 WeakPolarHBondContact O-CG 3.36Å; E15-K19 PolarHBondContact O-N 3.36Å; R16-K19 PolarHBondContact O-N 3.23Å; A17-K19 PolarHBondContact O-N 3.17Å; K19-I21 VanDerWaalsContact C-N 3.29Å; K19-I21 PolarHBondContact O-N 2.71Å; K19-Y25 HydrophobicContact CD-CD2 3.64Å; K19-Y25 HydrophobicContact CD-CE2 4.39Å; K19-Y25 HydrophobicContact CD-CG 3.78Å; K19-F26 HydrophobicContact CB-CD2 3.96Å; K19-F26 HydrophobicContact CB-CE2 3.97Å; K19-F26 HydrophobicContact CG-CE2 4.11Å; K19-N30 PolarHBondContact O-ND2 3.39Å |
| 20 | F | 97.3 | Very high | 94.9 | Very high | 25 Ų | 25 | 67.3 Ų | 67.3 | 11% | 0.11 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -68.6 | -26.6 | 177.2 | -169.2 | -112 | 0 | 0 | 0 | 113.4 | R16 A17 E18 N30 L31 F192 V220 C223 P225 | R16-F20 PolarHBondContact O-N 2.76Å; R16-F20 VanDerWaalsContact O-N 3.1Å; A17-F20 WeakPolarHBondContact O-CB 3.31Å; A17-F20 PolarHBondContact O-N 3.28Å; A17-F20 VanDerWaalsContact O-N 3.15Å; E18-F20 VanDerWaalsContact C-N 3.29Å; E18-F20 PolarHBondContact O-N 2.99Å; F20-N30 WeakPolarHBondContact O-CB 3.43Å; F20-L31 HydrophobicContact CD1-CB 4.03Å; F20-L31 HydrophobicContact CE1-CB 3.68Å; F20-L31 HydrophobicContact CE1-CD2 4.04Å; F20-L31 HydrophobicContact CE1-CG 4.37Å; F20-L31 HydrophobicContact CZ-CB 3.98Å; F20-L31 WeakPolarHBondContact O-CB 3.41Å; F20-L31 PolarHBondContact O-N 2.84Å; F20-F192 HydrophobicContact CD1-CD2 4.42Å; F20-F192 HydrophobicContact CD1-CE1 4.19Å; F20-F192 AromaticContact CD1-CE2 3.93Å; F20-F192 HydrophobicContact CD1-CE2 3.93Å; F20-F192 AromaticContact CD1-CZ 3.78Å; F20-F192 HydrophobicContact CD1-CZ 3.78Å; F20-F192 HydrophobicContact CE1-CD2 4.44Å; F20-F192 HydrophobicContact CE1-CE1 4.46Å; F20-F192 AromaticContact CE1-CE2 3.63Å; F20-F192 HydrophobicContact CE1-CE2 3.63Å; F20-F192 AromaticContact CE1-CZ 3.61Å; F20-F192 HydrophobicContact CE1-CZ 3.61Å; F20-V220 HydrophobicContact CB-CG1 4.4Å; F20-V220 HydrophobicContact CB-CG2 4.07Å; F20-V220 HydrophobicContact CD1-CG1 4.46Å; F20-V220 HydrophobicContact CD1-CG2 3.86Å; F20-V220 HydrophobicContact CD2-CG1 3.91Å; F20-V220 HydrophobicContact CE1-CG2 4.45Å; F20-V220 HydrophobicContact CE2-CG1 4.26Å; F20-V220 HydrophobicContact CG-CG1 4.01Å; F20-V220 HydrophobicContact CG-CG2 3.95Å; F20-C223 HydrophobicContact CE1-CB 4.14Å; F20-C223 HydrophobicContact CZ-CB 4Å; F20-C223 WeakPolarHBondContact CZ-O 3.41Å; F20-P225 HydrophobicContact CE2-CG 3.58Å; F20-P225 HydrophobicContact CZ-CG 3.67Å |
| 21 | I | 96.8 | Very high | 95.2 | Very high | 15 Ų | 15 | 65 Ų | 65 | 8% | 0.077 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.9 | 10.6 | 178.9 | 63.5 | 173.2 | 0 | 0 | 0 | 113.6 | A17 E18 K19 L189 F192 E193 V196 | A17-I21 PolarHBondContact O-N 3.48Å; E18-I21 PolarHBondContact O-N 3.23Å; K19-I21 VanDerWaalsContact C-N 3.29Å; K19-I21 PolarHBondContact O-N 2.71Å; I21-L189 HydrophobicContact CB-CD2 3.84Å; I21-L189 HydrophobicContact CG2-CD2 3.8Å; I21-F192 HydrophobicContact CD1-CB 4.26Å; I21-F192 HydrophobicContact CG2-CB 3.54Å; I21-F192 HydrophobicContact CG2-CD2 4.11Å; I21-F192 HydrophobicContact CG2-CG 3.88Å; I21-E193 HydrophobicContact CD1-CB 4.45Å; I21-E193 HydrophobicContact CD1-CG 3.74Å; I21-V196 HydrophobicContact CD1-CG2 4.44Å |
| 22 | S | 95.9 | Very high | 95.4 | Very high | 19 Ų | 19 | 58.7 Ų | 58.7 | 13% | 0.133 | 29% | 0.29 | C | S | . | . | trans | -72.4 | 137.1 | -173.5 | 177.2 | 0 | 0 | 0 | 0 | 112.8 | E18 I24 Y25 N30 | E18-S22 WeakPolarHBondContact O-CB 3.18Å; E18-S22 PolarHBondContact O-N 3.35Å; E18-S22 VanDerWaalsContact O-N 3.11Å; S22-I24 PolarHBondContact O-N 2.92Å; S22-I24 PolarHBondContact OG-N 3.49Å; S22-I24 VanDerWaalsContact OG-N 3.1Å; S22-Y25 WeakPolarHBondContact OG-CD2 3.49Å; S22-Y25 PolarHBondContact OG-N 3.12Å; S22-N30 PolarHBondContact O-ND2 3.48Å | ||
| 23 | D | 92.9 | Very high | 95.4 | Very high | 108 Ų | 108 | 55.7 Ų | 55.7 | 58% | 0.578 | 28% | 0.277 | S | S | * | . | S | Bend | trans | -73 | -10.6 | 170.9 | -67.7 | -61.7 | 0 | 0 | 0 | 113.6 | T27 R32 | D23-T27 WeakPolarHBondContact O-CG2 3.45Å; D23-R32 VanDerWaalsContact OD1-CD 3.27Å; D23-R32 WeakPolarHBondContact OD1-CD 3.41Å; D23-R32 WeakPolarHBondContact OD1-CG 3.44Å; D23-R32 IonicContact OD1-CZ 3.27Å; D23-R32 IonicContact OD1-NE 3.02Å; D23-R32 PolarHBondContact OD1-NE 3.43Å; D23-R32 IonicContact OD1-NH2 2.79Å; D23-R32 IonicContact OD2-CZ 2.6Å; D23-R32 IonicContact OD2-NE 2.98Å; D23-R32 PolarHBondContact OD2-NE 3.3Å; D23-R32 IonicContact OD2-NH2 2.85Å; D23-R32 PolarHBondContact OD2-NH2 3.48Å; D23-R32 VanDerWaalsContact OD2-NH2 3.11Å |
| 24 | I | 95.6 | Very high | 95.5 | Very high | 132 Ų | 132 | 58.6 Ų | 58.6 | 68% | 0.677 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -120.1 | -36.7 | -170.8 | -58.1 | 173.8 | 0 | 0 | 0 | 112.4 | S22 | S22-I24 PolarHBondContact O-N 2.92Å; S22-I24 PolarHBondContact OG-N 3.49Å; S22-I24 VanDerWaalsContact OG-N 3.1Å |
| 25 | Y | 95.8 | Very high | 95.5 | Very high | 120 Ų | 120 | 58.4 Ų | 58.4 | 47% | 0.471 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -104.8 | 129.7 | -168.3 | -67.9 | -74.5 | 0 | 0 | 0 | 110.9 | K19 S22 T27 N30 | K19-Y25 HydrophobicContact CD-CD2 3.64Å; K19-Y25 HydrophobicContact CD-CE2 4.39Å; K19-Y25 HydrophobicContact CD-CG 3.78Å; S22-Y25 WeakPolarHBondContact OG-CD2 3.49Å; S22-Y25 PolarHBondContact OG-N 3.12Å; Y25-T27 PolarHBondContact O-N 2.83Å; Y25-N30 PolarHBondContact O-ND2 2.94Å |
| 26 | F | 95.6 | Very high | 95.4 | Very high | 123 Ų | 123 | 58.3 Ų | 58.3 | 54% | 0.539 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 57 | 32.5 | 176.3 | -46.1 | -67.9 | 0 | 0 | 0 | 113.4 | K19 D28 C29 N30 | K19-F26 HydrophobicContact CB-CD2 3.96Å; K19-F26 HydrophobicContact CB-CE2 3.97Å; K19-F26 HydrophobicContact CG-CE2 4.11Å; F26-D28 VanDerWaalsContact CA-OD1 3.3Å; F26-D28 WeakPolarHBondContact CA-OD1 3.49Å; F26-D28 PolarHBondContact O-N 3.04Å; F26-D28 VanDerWaalsContact O-N 3.08Å; F26-C29 CarbonylContact O-C 3.4Å; F26-C29 PolarHBondContact O-N 2.89Å; F26-N30 HydrophobicContact CB-CB 4.33Å; F26-N30 WeakPolarHBondContact O-CB 3.49Å; F26-N30 VanDerWaalsContact O-CG 3.29Å; F26-N30 PolarHBondContact O-N 3.26Å |
| 27 | T | 94.1 | Very high | 95.2 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 37% | 0.374 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | -17.1 | -178.3 | 52.2 | 0 | 0 | 0 | 0 | 113.2 | D23 Y25 C29 G33 R34 | D23-T27 WeakPolarHBondContact O-CG2 3.45Å; Y25-T27 PolarHBondContact O-N 2.83Å; T27-C29 VanDerWaalsContact C-N 3.33Å; T27-G33 WeakPolarHBondContact O-CA 3.39Å; T27-R34 PolarHBondContact O-NH2 3.17Å; T27-R34 VanDerWaalsContact O-NH2 3.1Å |
| 28 | D | 92.8 | Very high | 95.1 | Very high | 110 Ų | 110 | 60.6 Ų | 60.6 | 59% | 0.588 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -29 | 170.8 | 63.4 | -53.2 | 0 | 0 | 0 | 113.1 | F26 R34 | F26-D28 VanDerWaalsContact CA-OD1 3.3Å; F26-D28 WeakPolarHBondContact CA-OD1 3.49Å; F26-D28 PolarHBondContact O-N 3.04Å; F26-D28 VanDerWaalsContact O-N 3.08Å; D28-R34 PolarHBondContact O-NH2 3.18Å |
| 29 | C | 92.8 | Very high | 95 | Very high | 55 Ų | 55 | 60.8 Ų | 60.8 | 37% | 0.372 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -135.5 | -5 | -173.7 | 63.5 | 0 | 0 | 0 | 0 | 116.3 | F26 T27 P225 F226 | F26-C29 CarbonylContact O-C 3.4Å; F26-C29 PolarHBondContact O-N 2.89Å; T27-C29 VanDerWaalsContact C-N 3.33Å; C29-P225 WeakPolarHBondContact O-CG 3.36Å; C29-F226 HydrophobicContact CB-CE2 4.09Å; C29-F226 HydrophobicContact CB-CZ 4.22Å |
| 30 | N | 96.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 62.7 Ų | 62.7 | 2% | 0.021 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -84.9 | 173.5 | 179 | 83.6 | -0.3 | 0 | 0 | 0 | 112.2 | K19 F20 S22 Y25 F26 R32 G33 | K19-N30 PolarHBondContact O-ND2 3.39Å; F20-N30 WeakPolarHBondContact O-CB 3.43Å; S22-N30 PolarHBondContact O-ND2 3.48Å; Y25-N30 PolarHBondContact O-ND2 2.94Å; F26-N30 HydrophobicContact CB-CB 4.33Å; F26-N30 WeakPolarHBondContact O-CB 3.49Å; F26-N30 VanDerWaalsContact O-CG 3.29Å; F26-N30 PolarHBondContact O-N 3.26Å; N30-R32 PolarHBondContact OD1-N 2.93Å; N30-G33 PolarHBondContact OD1-N 3.03Å |
| 31 | L | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -67.6 | -41.5 | -177.7 | -177.3 | 65.5 | 0 | 0 | 0 | 112.3 | F20 G33 R34 V185 L188 L189 F192 F231 | F20-L31 HydrophobicContact CD1-CB 4.03Å; F20-L31 HydrophobicContact CE1-CB 3.68Å; F20-L31 HydrophobicContact CE1-CD2 4.04Å; F20-L31 HydrophobicContact CE1-CG 4.37Å; F20-L31 HydrophobicContact CZ-CB 3.98Å; F20-L31 WeakPolarHBondContact O-CB 3.41Å; F20-L31 PolarHBondContact O-N 2.84Å; L31-G33 VanDerWaalsContact C-N 3.34Å; L31-G33 PolarHBondContact O-N 3.23Å; L31-R34 WeakPolarHBondContact O-CB 3.42Å; L31-R34 PolarHBondContact O-N 3.16Å; L31-V185 HydrophobicContact CD1-CB 4.44Å; L31-V185 HydrophobicContact CD1-CG1 3.86Å; L31-V185 HydrophobicContact CD1-CG2 4.22Å; L31-V185 HydrophobicContact CG-CG1 4Å; L31-V185 VanDerWaalsContact O-CG1 3.31Å; L31-V185 WeakPolarHBondContact O-CG1 3.09Å; L31-L188 HydrophobicContact CD1-CD1 4.2Å; L31-L188 HydrophobicContact CD2-CB 3.64Å; L31-L188 HydrophobicContact CD2-CD1 4.43Å; L31-L189 HydrophobicContact CB-CD2 4.33Å; L31-L189 HydrophobicContact CD2-CD2 3.93Å; L31-L189 HydrophobicContact CD2-CG 4Å; L31-L189 HydrophobicContact CG-CD2 4.01Å; L31-L189 HydrophobicContact CG-CG 4.14Å; L31-F192 HydrophobicContact CD2-CD2 3.71Å; L31-F192 HydrophobicContact CD2-CE2 3.8Å; L31-F231 HydrophobicContact CD1-CE1 4.46Å |
| 32 | R | 95.6 | Very high | 94.6 | Very high | 39 Ų | 39 | 66.3 Ų | 66.3 | 15% | 0.147 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -62.4 | -39.9 | -175.8 | -175.5 | 66.8 | 119 | -141.1 | -16.7 | 112.7 | D23 N30 R34 L35 L189 E193 | D23-R32 VanDerWaalsContact OD1-CD 3.27Å; D23-R32 WeakPolarHBondContact OD1-CD 3.41Å; D23-R32 WeakPolarHBondContact OD1-CG 3.44Å; D23-R32 IonicContact OD1-CZ 3.27Å; D23-R32 IonicContact OD1-NE 3.02Å; D23-R32 PolarHBondContact OD1-NE 3.43Å; D23-R32 IonicContact OD1-NH2 2.79Å; D23-R32 IonicContact OD2-CZ 2.6Å; D23-R32 IonicContact OD2-NE 2.98Å; D23-R32 PolarHBondContact OD2-NE 3.3Å; D23-R32 IonicContact OD2-NH2 2.85Å; D23-R32 PolarHBondContact OD2-NH2 3.48Å; D23-R32 VanDerWaalsContact OD2-NH2 3.11Å; N30-R32 PolarHBondContact OD1-N 2.93Å; R32-R34 PolarHBondContact O-N 3.37Å; R32-L35 VanDerWaalsContact O-CB 3.26Å; R32-L35 WeakPolarHBondContact O-CB 3.26Å; R32-L35 PolarHBondContact O-N 3.33Å; R32-L189 HydrophobicContact CB-CD2 3.94Å; R32-E193 IonicContact CZ-OE1 2.63Å; R32-E193 VanDerWaalsContact CZ-OE1 3.27Å; R32-E193 IonicContact NH1-OE1 3.52Å; R32-E193 PolarHBondContact NH1-OE1 3.29Å; R32-E193 IonicContact NH2-OE1 3.48Å; R32-E193 PolarHBondContact NH2-OE1 3.4Å |
| 33 | G | 94.8 | Very high | 94.5 | Very high | 25 Ų | 25 | 71 Ų | 71 | 26% | 0.258 | 37% | 0.367 | S | S | . | . | G | 310 helix | trans | -64.2 | -7.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | T27 N30 L31 | T27-G33 WeakPolarHBondContact O-CA 3.39Å; N30-G33 PolarHBondContact OD1-N 3.03Å; L31-G33 VanDerWaalsContact C-N 3.34Å; L31-G33 PolarHBondContact O-N 3.23Å |
| 34 | R | 95.1 | Very high | 94.6 | Very high | 75 Ų | 75 | 69.1 Ų | 69.1 | 28% | 0.283 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -99.3 | 2.2 | 173.9 | -50.8 | -58.4 | 97.5 | -169.4 | 1.1 | 113.1 | T27 D28 L31 R32 Y36 N182 V185 P225 | T27-R34 PolarHBondContact O-NH2 3.17Å; T27-R34 VanDerWaalsContact O-NH2 3.1Å; D28-R34 PolarHBondContact O-NH2 3.18Å; L31-R34 WeakPolarHBondContact O-CB 3.42Å; L31-R34 PolarHBondContact O-N 3.16Å; R32-R34 PolarHBondContact O-N 3.37Å; R34-Y36 VanDerWaalsContact C-N 3.3Å; R34-Y36 PolarHBondContact O-N 3.37Å; R34-N182 PolarHBondContact O-ND2 3.11Å; R34-V185 HydrophobicContact CB-CG1 4.38Å; R34-V185 HydrophobicContact CB-CG2 4.25Å; R34-P225 HydrophobicContact CG-CB 3.8Å |
| 35 | L | 94.9 | Very high | 94.7 | Very high | 18 Ų | 18 | 63.9 Ų | 63.9 | 9% | 0.094 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -59.5 | -43.8 | -179 | 178.3 | 60.2 | 0 | 0 | 0 | 111.7 | R32 F181 N182 V185 Q186 L189 | R32-L35 VanDerWaalsContact O-CB 3.26Å; R32-L35 WeakPolarHBondContact O-CB 3.26Å; R32-L35 PolarHBondContact O-N 3.33Å; L35-F181 HydrophobicContact CD1-CD2 4.29Å; L35-F181 HydrophobicContact CD1-CE2 3.58Å; L35-F181 HydrophobicContact CD1-CZ 3.9Å; L35-F181 HydrophobicContact CG-CE2 4.05Å; L35-N182 PolarHBondContact O-N 3.21Å; L35-V185 HydrophobicContact CB-CG1 4.39Å; L35-Q186 HydrophobicContact CD1-CB 3.8Å; L35-Q186 VanDerWaalsContact CD1-OE1 3.27Å; L35-L189 HydrophobicContact CB-CD1 4.35Å; L35-L189 HydrophobicContact CD1-CD1 4.21Å |
| 36 | Y | 94.6 | Very high | 94.8 | Very high | 75 Ų | 75 | 59 Ų | 59 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 129.1 | 171.9 | -59.5 | -66.2 | 0 | 0 | 0 | 109.2 | R34 L100 V179 I180 F181 | R34-Y36 VanDerWaalsContact C-N 3.3Å; R34-Y36 PolarHBondContact O-N 3.37Å; Y36-L100 HydrophobicContact CE1-CD1 4.44Å; Y36-L100 HydrophobicContact CE2-CD1 4.37Å; Y36-V179 HydrophobicContact CD1-CB 3.94Å; Y36-V179 HydrophobicContact CD1-CG1 4.47Å; Y36-V179 HydrophobicContact CD1-CG2 3.46Å; Y36-V179 VanDerWaalsContact CD1-CG2 3.46Å; Y36-V179 HydrophobicContact CE1-CG2 3.79Å; Y36-V179 HydrophobicContact CG-CB 4.47Å; Y36-V179 HydrophobicContact CG-CG2 4.37Å; Y36-I180 CarbonylContact C-O 3.57Å; Y36-I180 WeakPolarHBondContact CA-O 3.2Å; Y36-F181 HydrophobicContact CD1-CD2 4.06Å; Y36-F181 AromaticContact CE1-CD2 3.65Å; Y36-F181 HydrophobicContact CE1-CD2 3.65Å; Y36-F181 HydrophobicContact CE1-CE2 4.17Å |
| 37 | G | 92.7 | Very high | 94.9 | Very high | 39 Ų | 39 | 55.8 Ų | 55.8 | 40% | 0.402 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | -132.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I180 | G37-I180 PolarHBondContact N-O 3.36Å |
| 38 | E | 94 | Very high | 95.1 | Very high | 108 Ų | 108 | 54.9 Ų | 54.9 | 51% | 0.505 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 138.2 | 173.4 | -164.3 | -177.5 | 173 | 0 | 0 | 110.2 | W92 I180 | E38-W92 HydrophobicContact CB-CZ2 3.87Å; E38-W92 HydrophobicContact CG-CZ2 3.93Å; E38-W92 WeakPolarHBondContact O-CH2 3.42Å; E38-W92 WeakPolarHBondContact O-CZ2 3.41Å; E38-W92 PolarHBondContact OE2-NE1 2.91Å; E38-I180 HydrophobicContact CB-CD1 3.94Å; E38-I180 PolarHBondContact O-N 3.42Å |
| 39 | S | 94.6 | Very high | 95.3 | Very high | 60 Ų | 60 | 52.1 Ų | 52.1 | 42% | 0.42 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 150.9 | 171.1 | 83.1 | 0 | 0 | 0 | 0 | 111.1 | E177 L178 | S39-E177 VanDerWaalsContact CB-OE2 3.23Å; S39-E177 WeakPolarHBondContact CB-OE2 3.35Å; S39-E177 PolarHBondContact OG-OE2 2.72Å; S39-L178 CarbonylContact C-O 3.41Å; S39-L178 WeakPolarHBondContact CA-O 3.34Å |
| 40 | Y | 94.3 | Very high | 95.5 | Very high | 106 Ų | 106 | 50 Ų | 50 | 42% | 0.416 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 131.7 | -177.2 | -162.6 | -91.7 | 0 | 0 | 0 | 110.2 | P89 L178 | Y40-P89 HydrophobicContact CD1-CG 3.93Å; Y40-P89 HydrophobicContact CD2-CG 3.55Å; Y40-P89 HydrophobicContact CE1-CG 4.21Å; Y40-P89 HydrophobicContact CE2-CG 3.86Å; Y40-P89 HydrophobicContact CG-CG 3.59Å; Y40-L178 PolarHBondContact N-O 3.17Å; Y40-L178 PolarHBondContact O-N 3.31Å |
| 41 | P | 93.5 | Very high | 95.4 | Very high | 89 Ų | 89 | 56.4 Ų | 56.4 | 58% | 0.578 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 152 | -177.3 | 28.2 | -34.9 | 0 | 0 | 0 | 111.9 | ||
| 42 | L | 93.6 | Very high | 95.3 | Very high | 26 Ų | 26 | 60.7 Ų | 60.7 | 14% | 0.136 | 32% | 0.32 | C | S | . | . | trans | -66.5 | 149.4 | 172.5 | -57 | 173.9 | 0 | 0 | 0 | 110.6 | V84 L86 L99 A176 L178 | L42-V84 HydrophobicContact CD1-CG1 3.76Å; L42-V84 HydrophobicContact CD2-CG1 3.97Å; L42-V84 HydrophobicContact CG-CG1 4.33Å; L42-L86 HydrophobicContact CD2-CB 4.12Å; L42-L99 HydrophobicContact CD1-CD1 4.48Å; L42-L99 HydrophobicContact CD2-CD1 3.83Å; L42-A176 HydrophobicContact CD1-CB 3.6Å; L42-A176 WeakPolarHBondContact CD1-O 3.32Å; L42-A176 WeakPolarHBondContact CG-O 3.24Å; L42-L178 HydrophobicContact CD2-CD2 4.26Å; L42-L178 HydrophobicContact CD2-CG 4.21Å | ||
| 43 | E | 93.1 | Very high | 95.2 | Very high | 118 Ų | 118 | 60.7 Ų | 60.7 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -70.6 | -49.1 | 179 | -178.8 | 179.2 | 173.4 | 0 | 0 | 110.7 | S85 T87 | E43-S85 WeakPolarHBondContact CB-O 3.37Å; E43-S85 PolarHBondContact N-O 2.77Å; E43-S85 VanDerWaalsContact N-O 3.1Å; E43-T87 PolarHBondContact OE2-OG1 3.07Å |
| 44 | T | 95.6 | Very high | 95.2 | Very high | 69 Ų | 69 | 60.1 Ų | 60.1 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 140.5 | 170.9 | 53.9 | 0 | 0 | 0 | 0 | 110.7 | S85 | T44-S85 PolarHBondContact N-O 2.82Å; T44-S85 VanDerWaalsContact N-O 3.16Å; T44-S85 PolarHBondContact O-N 2.88Å; T44-S85 WeakPolarHBondContact OG1-CB 3.4Å; T44-S85 PolarHBondContact OG1-OG 3.32Å; T44-S85 VanDerWaalsContact OG1-OG 3.05Å |
| 45 | I | 97.6 | Very high | 95.1 | Very high | 21 Ų | 21 | 59.7 Ų | 59.7 | 11% | 0.108 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 127.4 | 164.4 | -173.6 | 168.8 | 0 | 0 | 0 | 107.9 | Y67 F82 V84 W101 A176 | I45-Y67 HydrophobicContact CD1-CD1 3.88Å; I45-Y67 HydrophobicContact CD1-CE1 4.44Å; I45-Y67 HydrophobicContact CG1-CD1 4.15Å; I45-Y67 HydrophobicContact CG2-CD1 4.24Å; I45-Y67 VanDerWaalsContact CG2-O 3.24Å; I45-Y67 WeakPolarHBondContact CG2-O 3.31Å; I45-Y67 PolarHBondContact O-N 3.31Å; I45-F82 HydrophobicContact CD1-CD1 3.96Å; I45-F82 HydrophobicContact CG1-CD1 3.97Å; I45-V84 HydrophobicContact CG1-CG2 4.33Å; I45-W101 HydrophobicContact CD1-CH2 3.98Å; I45-W101 HydrophobicContact CD1-CZ3 3.84Å; I45-A176 HydrophobicContact CD1-CB 4.14Å |
| 46 | S | 97.9 | Very high | 95.1 | Very high | 19 Ų | 19 | 60.3 Ų | 60.3 | 13% | 0.133 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 151.8 | 179.9 | 57.1 | 0 | 0 | 0 | 0 | 108.9 | F64 A65 F82 K83 | S46-F64 WeakPolarHBondContact OG-CB 3.15Å; S46-A65 CarbonylContact C-O 3.6Å; S46-A65 WeakPolarHBondContact CA-O 3.25Å; S46-A65 WeakPolarHBondContact CB-O 3.48Å; S46-F82 CarbonylContact O-C 3.4Å; S46-F82 VanDerWaalsContact O-CA 3.25Å; S46-F82 WeakPolarHBondContact O-CA 3.43Å; S46-K83 PolarHBondContact N-O 3.49Å; S46-K83 PolarHBondContact O-N 3.13Å; S46-K83 PolarHBondContact OG-O 3.24Å |
| 47 | F | 98 | Very high | 95.1 | Very high | 55 Ų | 55 | 59.7 Ų | 59.7 | 24% | 0.241 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 153.7 | -173.4 | 83.3 | -70.5 | 0 | 0 | 0 | 112.6 | L49 F64 A65 Y67 W81 F82 | F47-L49 HydrophobicContact CD2-CB 4.4Å; F47-L49 HydrophobicContact CE2-CB 4.28Å; F47-F64 CarbonylContact O-C 3.48Å; F47-F64 WeakPolarHBondContact O-CA 3.32Å; F47-A65 HydrophobicContact CD1-CB 4.48Å; F47-A65 WeakPolarHBondContact CD1-O 3.44Å; F47-A65 HydrophobicContact CE1-CB 4.22Å; F47-A65 PolarHBondContact N-O 2.94Å; F47-A65 PolarHBondContact O-N 3.23Å; F47-Y67 HydrophobicContact CB-CD2 4.48Å; F47-Y67 AromaticContact CD1-CD2 3.89Å; F47-Y67 HydrophobicContact CD1-CD2 3.89Å; F47-Y67 HydrophobicContact CD1-CG 4.25Å; F47-Y67 HydrophobicContact CE1-CD2 4.27Å; F47-Y67 HydrophobicContact CG-CD2 4.14Å; F47-W81 CarbonylContact C-O 3.42Å; F47-W81 WeakPolarHBondContact CA-O 3.23Å; F47-F82 HydrophobicContact CB-CD1 3.73Å; F47-F82 HydrophobicContact CB-CE1 3.7Å; F47-F82 HydrophobicContact CB-CG 4.45Å; F47-F82 HydrophobicContact CB-CZ 4.39Å |
| 48 | F | 97.9 | Very high | 95.2 | Very high | 42 Ų | 42 | 62.3 Ų | 62.3 | 18% | 0.184 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 129.9 | 170.2 | 166.6 | -100.6 | 0 | 0 | 0 | 107.8 | I54 Q62 F64 W81 | F48-I54 HydrophobicContact CE1-CD1 3.72Å; F48-I54 HydrophobicContact CZ-CD1 4.48Å; F48-Q62 HydrophobicContact CB-CB 4.44Å; F48-Q62 HydrophobicContact CD1-CB 3.96Å; F48-Q62 HydrophobicContact CD1-CG 3.96Å; F48-Q62 HydrophobicContact CD2-CB 3.69Å; F48-Q62 HydrophobicContact CD2-CG 4.22Å; F48-Q62 HydrophobicContact CE1-CB 4.14Å; F48-Q62 HydrophobicContact CE1-CG 3.69Å; F48-Q62 HydrophobicContact CE2-CB 3.87Å; F48-Q62 HydrophobicContact CE2-CG 3.96Å; F48-Q62 HydrophobicContact CG-CB 3.73Å; F48-Q62 HydrophobicContact CG-CG 4.22Å; F48-Q62 HydrophobicContact CZ-CB 4.1Å; F48-Q62 HydrophobicContact CZ-CG 3.68Å; F48-F64 HydrophobicContact CB-CD1 3.9Å; F48-F64 HydrophobicContact CB-CD2 4.34Å; F48-F64 HydrophobicContact CB-CE1 3.86Å; F48-F64 HydrophobicContact CB-CE2 4.28Å; F48-F64 HydrophobicContact CB-CG 4.13Å; F48-F64 HydrophobicContact CB-CZ 4.04Å; F48-W81 HydrophobicContact CB-CB 4.48Å; F48-W81 HydrophobicContact CD1-CB 4.45Å; F48-W81 PolarHBondContact N-O 3.18Å; F48-W81 PolarHBondContact O-N 3.14Å |
| 49 | L | 97.7 | Very high | 95.3 | Very high | 52 Ų | 52 | 57.1 Ų | 57.1 | 27% | 0.272 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.8 | -175 | -177.6 | 65.5 | 0 | 0 | 0 | 110 | F47 G74 W78 C80 | F47-L49 HydrophobicContact CD2-CB 4.4Å; F47-L49 HydrophobicContact CE2-CB 4.28Å; L49-G74 WeakPolarHBondContact CD2-O 3.44Å; L49-W78 HydrophobicContact CD1-CB 4.27Å; L49-W78 HydrophobicContact CD1-CE3 3.87Å; L49-W78 HydrophobicContact CD2-CE3 3.63Å; L49-W78 HydrophobicContact CD2-CZ3 3.63Å; L49-W78 HydrophobicContact CG-CE3 3.54Å; L49-W78 HydrophobicContact CG-CZ3 3.89Å; L49-C80 HydrophobicContact CD1-CB 4Å |
| 50 | S | 97.1 | Very high | 95.3 | Very high | 11 Ų | 11 | 56 Ų | 56 | 8% | 0.077 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 137.6 | -179.7 | -174.7 | 0 | 0 | 0 | 0 | 111.2 | T52 W78 T79 | S50-T52 VanDerWaalsContact C-N 3.3Å; S50-T52 VanDerWaalsContact CB-O 3.32Å; S50-T52 WeakPolarHBondContact CB-O 3.43Å; S50-T52 PolarHBondContact OG-N 2.96Å; S50-T52 PolarHBondContact OG-O 3.41Å; S50-T52 PolarHBondContact OG-OG1 3.3Å; S50-W78 WeakPolarHBondContact O-CB 3.15Å; S50-T79 PolarHBondContact N-O 2.85Å; S50-T79 PolarHBondContact O-N 2.86Å |
| 51 | Q | 95 | Very high | 95.4 | Very high | 138 Ų | 138 | 59 Ų | 59 | 65% | 0.645 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -73.8 | -27 | 172.3 | -52.2 | -167 | -10.5 | 0 | 0 | 111.8 | W78 | Q51-W78 HydrophobicContact CB-CD2 4.35Å; Q51-W78 HydrophobicContact CB-CZ2 4.33Å; Q51-W78 HydrophobicContact CG-CD2 4.04Å; Q51-W78 HydrophobicContact CG-CE3 4.05Å; Q51-W78 HydrophobicContact CG-CH2 3.55Å; Q51-W78 HydrophobicContact CG-CZ2 3.48Å; Q51-W78 VanDerWaalsContact CG-CZ2 3.48Å; Q51-W78 HydrophobicContact CG-CZ3 3.82Å; Q51-W78 VanDerWaalsContact NE2-CH2 3.28Å |
| 52 | T | 93.2 | Very high | 95.6 | Very high | 90 Ų | 90 | 58 Ų | 58 | 55% | 0.552 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -110.7 | 160 | -179.2 | 58.6 | 0 | 0 | 0 | 0 | 111.2 | S50 I54 | S50-T52 VanDerWaalsContact C-N 3.3Å; S50-T52 VanDerWaalsContact CB-O 3.32Å; S50-T52 WeakPolarHBondContact CB-O 3.43Å; S50-T52 PolarHBondContact OG-N 2.96Å; S50-T52 PolarHBondContact OG-O 3.41Å; S50-T52 PolarHBondContact OG-OG1 3.3Å; T52-I54 PolarHBondContact O-N 3.46Å |
| 53 | R | 94.1 | Very high | 95.7 | Very high | 39 Ų | 39 | 64 Ų | 64 | 15% | 0.147 | 33% | 0.334 | C | S | . | . | trans | -86.1 | 86.5 | -179.8 | -60.6 | 176.7 | -170.5 | 141.4 | 28.2 | 109.6 | E270 E271 | R53-E270 IonicContact CZ-OE1 2.61Å; R53-E270 IonicContact CZ-OE2 2.74Å; R53-E270 IonicContact NE-OE1 3.43Å; R53-E270 IonicContact NH1-OE1 3.31Å; R53-E270 PolarHBondContact NH1-OE1 3.46Å; R53-E270 IonicContact NH1-OE2 3.81Å; R53-E270 PolarHBondContact NH1-OE2 3.05Å; R53-E270 IonicContact NH2-OE1 2.8Å; R53-E270 PolarHBondContact NH2-OE1 3.03Å; R53-E271 IonicContact CZ-OE2 3.32Å; R53-E271 IonicContact NE-OE2 2.76Å; R53-E271 PolarHBondContact NE-OE2 2.81Å; R53-E271 IonicContact NH1-OE2 2.92Å | ||
| 54 | I | 94.3 | Very high | 95.9 | Very high | 13 Ų | 13 | 60.2 Ų | 60.2 | 7% | 0.067 | 32% | 0.316 | C | S | . | . | trans | -87.6 | 144.6 | -178.4 | 63 | 169.5 | 0 | 0 | 0 | 112.1 | F48 T52 E58 A59 Q62 | F48-I54 HydrophobicContact CE1-CD1 3.72Å; F48-I54 HydrophobicContact CZ-CD1 4.48Å; T52-I54 PolarHBondContact O-N 3.46Å; I54-E58 HydrophobicContact CB-CB 4.42Å; I54-E58 HydrophobicContact CB-CG 4.5Å; I54-E58 HydrophobicContact CD1-CB 4.38Å; I54-E58 HydrophobicContact CD1-CG 4.16Å; I54-A59 HydrophobicContact CD1-CB 3.81Å; I54-A59 HydrophobicContact CG1-CB 4.09Å; I54-Q62 HydrophobicContact CD1-CG 4.48Å | ||
| 55 | P | 93.4 | Very high | 96 | Very high | 65 Ų | 65 | 59.1 Ų | 59.1 | 42% | 0.422 | 32% | 0.315 | S | S | . | . | trans | -64.4 | 157.5 | 174.8 | -21.5 | 32.7 | 0 | 0 | 0 | 113.4 | A57 E58 A59 W309 | P55-A57 PolarHBondContact O-N 3.26Å; P55-A57 VanDerWaalsContact O-N 3.15Å; P55-E58 PolarHBondContact O-N 3.2Å; P55-A59 PolarHBondContact O-N 2.98Å; P55-W309 HydrophobicContact CG-CZ3 4.32Å | ||
| 56 | F | 94.5 | Very high | 96 | Very high | 31 Ų | 31 | 63.8 Ų | 63.8 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -51.1 | -40.9 | 176.4 | 175.7 | -88.7 | 0 | 0 | 0 | 113.6 | E58 A59 S60 W81 W110 Y145 | F56-E58 PolarHBondContact O-N 3.09Å; F56-A59 PolarHBondContact O-N 2.94Å; F56-S60 VanDerWaalsContact O-CB 3.3Å; F56-S60 WeakPolarHBondContact O-CB 3.46Å; F56-S60 PolarHBondContact O-N 3.42Å; F56-S60 PolarHBondContact O-OG 3.33Å; F56-W81 HydrophobicContact CB-CH2 3.92Å; F56-W81 HydrophobicContact CB-CZ3 4.46Å; F56-W81 HydrophobicContact CD2-CH2 4.02Å; F56-W81 AromaticContact CD2-CZ3 3.69Å; F56-W81 HydrophobicContact CD2-CZ3 3.69Å; F56-W81 HydrophobicContact CE2-CZ3 4.48Å; F56-W81 HydrophobicContact CG-CH2 4.48Å; F56-W110 HydrophobicContact CB-CD2 4.08Å; F56-W110 HydrophobicContact CB-CE3 3.68Å; F56-W110 HydrophobicContact CB-CH2 3.86Å; F56-W110 HydrophobicContact CB-CZ2 4.22Å; F56-W110 HydrophobicContact CB-CZ3 3.56Å; F56-W110 HydrophobicContact CD2-CB 3.87Å; F56-W110 AromaticContact CD2-CD2 3.73Å; F56-W110 HydrophobicContact CD2-CD2 3.73Å; F56-W110 AromaticContact CD2-CE3 3.74Å; F56-W110 HydrophobicContact CD2-CE3 3.74Å; F56-W110 AromaticContact CD2-CG 3.8Å; F56-W110 HydrophobicContact CD2-CG 3.8Å; F56-W110 HydrophobicContact CD2-CZ3 4.49Å; F56-W110 HydrophobicContact CE2-CB 3.87Å; F56-W110 HydrophobicContact CE2-CG 4.3Å; F56-W110 HydrophobicContact CG-CD2 4.12Å; F56-W110 AromaticContact CG-CE3 3.71Å; F56-W110 HydrophobicContact CG-CE3 3.71Å; F56-W110 HydrophobicContact CG-CZ3 4.05Å; F56-Y145 HydrophobicContact CE2-CD1 4.41Å; F56-Y145 AromaticContact CE2-CD2 3.7Å; F56-Y145 HydrophobicContact CE2-CD2 3.7Å; F56-Y145 HydrophobicContact CE2-CE2 4.28Å; F56-Y145 AromaticContact CE2-CG 3.78Å; F56-Y145 HydrophobicContact CE2-CG 3.78Å; F56-Y145 HydrophobicContact CZ-CD2 4.01Å; F56-Y145 HydrophobicContact CZ-CE2 4.18Å; F56-Y145 HydrophobicContact CZ-CG 4.48Å |
| 57 | A | 94.1 | Very high | 96 | Very high | 62 Ų | 62 | 63.6 Ų | 63.6 | 51% | 0.512 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.8 | -22.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | P55 K61 | P55-A57 PolarHBondContact O-N 3.26Å; P55-A57 VanDerWaalsContact O-N 3.15Å; A57-K61 WeakPolarHBondContact O-CD 3.27Å; A57-K61 VanDerWaalsContact O-CE 3.24Å; A57-K61 WeakPolarHBondContact O-CE 3.35Å |
| 58 | E | 95.8 | Very high | 95.9 | Very high | 94 Ų | 94 | 68 Ų | 68 | 44% | 0.439 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -91.4 | -48.3 | 173.6 | -172.3 | -179.5 | 165.4 | 0 | 0 | 110.4 | I54 P55 F56 S60 K61 Q62 | I54-E58 HydrophobicContact CB-CB 4.42Å; I54-E58 HydrophobicContact CB-CG 4.5Å; I54-E58 HydrophobicContact CD1-CB 4.38Å; I54-E58 HydrophobicContact CD1-CG 4.16Å; P55-E58 PolarHBondContact O-N 3.2Å; F56-E58 PolarHBondContact O-N 3.09Å; E58-S60 VanDerWaalsContact C-N 3.34Å; E58-S60 PolarHBondContact O-N 2.84Å; E58-K61 PolarHBondContact O-N 3.45Å; E58-K61 VanDerWaalsContact O-N 3.16Å; E58-Q62 PolarHBondContact O-NE2 3.41Å |
| 59 | A | 95.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -58.5 | -41.3 | -179 | 0 | 0 | 0 | 0 | 0 | 113.3 | I54 P55 F56 K61 Q62 F64 W81 | I54-A59 HydrophobicContact CD1-CB 3.81Å; I54-A59 HydrophobicContact CG1-CB 4.09Å; P55-A59 PolarHBondContact O-N 2.98Å; F56-A59 PolarHBondContact O-N 2.94Å; A59-K61 PolarHBondContact O-N 3.1Å; A59-K61 VanDerWaalsContact O-N 3.15Å; A59-Q62 WeakPolarHBondContact O-CB 3.5Å; A59-Q62 WeakPolarHBondContact O-CG 3.35Å; A59-Q62 PolarHBondContact O-N 2.99Å; A59-Q62 VanDerWaalsContact O-N 3.08Å; A59-F64 VanDerWaalsContact O-CE2 3.28Å; A59-F64 WeakPolarHBondContact O-CE2 3.46Å; A59-W81 HydrophobicContact CB-CD2 3.46Å; A59-W81 VanDerWaalsContact CB-CD2 3.46Å; A59-W81 HydrophobicContact CB-CE3 4.03Å; A59-W81 HydrophobicContact CB-CG 3.74Å; A59-W81 HydrophobicContact CB-CH2 4.34Å; A59-W81 HydrophobicContact CB-CZ2 3.81Å; A59-W81 HydrophobicContact CB-CZ3 4.44Å |
| 60 | S | 95.2 | Very high | 95.8 | Very high | 36 Ų | 36 | 69.2 Ų | 69.2 | 25% | 0.252 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -17.7 | -179.5 | 53.2 | 0 | 0 | 0 | 0 | 114.5 | F56 E58 | F56-S60 VanDerWaalsContact O-CB 3.3Å; F56-S60 WeakPolarHBondContact O-CB 3.46Å; F56-S60 PolarHBondContact O-N 3.42Å; F56-S60 PolarHBondContact O-OG 3.33Å; E58-S60 VanDerWaalsContact C-N 3.34Å; E58-S60 PolarHBondContact O-N 2.84Å |
| 61 | K | 96.3 | Very high | 95.8 | Very high | 168 Ų | 168 | 72.4 Ų | 72.4 | 73% | 0.73 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -6.9 | 177.8 | -62.6 | 174.2 | -174.7 | 166.6 | 0 | 113.1 | A57 E58 A59 | A57-K61 WeakPolarHBondContact O-CD 3.27Å; A57-K61 VanDerWaalsContact O-CE 3.24Å; A57-K61 WeakPolarHBondContact O-CE 3.35Å; E58-K61 PolarHBondContact O-N 3.45Å; E58-K61 VanDerWaalsContact O-N 3.16Å; A59-K61 PolarHBondContact O-N 3.1Å; A59-K61 VanDerWaalsContact O-N 3.15Å |
| 62 | Q | 97.4 | Very high | 95.9 | Very high | 69 Ų | 69 | 70.5 Ų | 70.5 | 32% | 0.322 | 39% | 0.394 | S | S | . | . | S | Bend | trans | -75.4 | 165.4 | -178 | -57.9 | -60.8 | -26.4 | 0 | 0 | 111.6 | F48 I54 E58 A59 F64 | F48-Q62 HydrophobicContact CB-CB 4.44Å; F48-Q62 HydrophobicContact CD1-CB 3.96Å; F48-Q62 HydrophobicContact CD1-CG 3.96Å; F48-Q62 HydrophobicContact CD2-CB 3.69Å; F48-Q62 HydrophobicContact CD2-CG 4.22Å; F48-Q62 HydrophobicContact CE1-CB 4.14Å; F48-Q62 HydrophobicContact CE1-CG 3.69Å; F48-Q62 HydrophobicContact CE2-CB 3.87Å; F48-Q62 HydrophobicContact CE2-CG 3.96Å; F48-Q62 HydrophobicContact CG-CB 3.73Å; F48-Q62 HydrophobicContact CG-CG 4.22Å; F48-Q62 HydrophobicContact CZ-CB 4.1Å; F48-Q62 HydrophobicContact CZ-CG 3.68Å; I54-Q62 HydrophobicContact CD1-CG 4.48Å; E58-Q62 PolarHBondContact O-NE2 3.41Å; A59-Q62 WeakPolarHBondContact O-CB 3.5Å; A59-Q62 WeakPolarHBondContact O-CG 3.35Å; A59-Q62 PolarHBondContact O-N 2.99Å; A59-Q62 VanDerWaalsContact O-N 3.08Å; Q62-F64 HydrophobicContact CB-CE2 4.37Å; Q62-F64 VanDerWaalsContact O-CD2 3.29Å; Q62-F64 WeakPolarHBondContact O-CD2 3.24Å |
| 63 | N | 96.1 | Very high | 96.1 | Very high | 151 Ų | 151 | 66.4 Ų | 66.4 | 81% | 0.807 | 37% | 0.369 | S | S | * | . | P | Polyproline II helix | trans | -86.3 | 117 | 174.5 | -68.2 | -36.4 | 0 | 0 | 0 | 109.8 | ||
| 64 | F | 97.9 | Very high | 96.2 | Very high | 39 Ų | 39 | 64.8 Ų | 64.8 | 17% | 0.171 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -93.9 | 126.2 | 178.4 | -70 | -110.5 | 0 | 0 | 0 | 110.2 | S46 F47 F48 A59 Q62 W81 K83 Y145 | S46-F64 WeakPolarHBondContact OG-CB 3.15Å; F47-F64 CarbonylContact O-C 3.48Å; F47-F64 WeakPolarHBondContact O-CA 3.32Å; F48-F64 HydrophobicContact CB-CD1 3.9Å; F48-F64 HydrophobicContact CB-CD2 4.34Å; F48-F64 HydrophobicContact CB-CE1 3.86Å; F48-F64 HydrophobicContact CB-CE2 4.28Å; F48-F64 HydrophobicContact CB-CG 4.13Å; F48-F64 HydrophobicContact CB-CZ 4.04Å; A59-F64 VanDerWaalsContact O-CE2 3.28Å; A59-F64 WeakPolarHBondContact O-CE2 3.46Å; Q62-F64 HydrophobicContact CB-CE2 4.37Å; Q62-F64 VanDerWaalsContact O-CD2 3.29Å; Q62-F64 WeakPolarHBondContact O-CD2 3.24Å; F64-W81 HydrophobicContact CE1-CB 3.77Å; F64-W81 VanDerWaalsContact CE1-O 3.28Å; F64-W81 WeakPolarHBondContact CE1-O 3.34Å; F64-W81 HydrophobicContact CZ-CB 4.01Å; F64-K83 HydrophobicContact CD1-CB 3.6Å; F64-K83 HydrophobicContact CD2-CB 4.5Å; F64-K83 HydrophobicContact CE1-CB 3.83Å; F64-K83 HydrophobicContact CG-CB 3.99Å; F64-K83 HydrophobicContact CZ-CB 4.4Å; F64-Y145 HydrophobicContact CE1-CD1 4.27Å; F64-Y145 HydrophobicContact CE1-CE1 4.35Å; F64-Y145 HydrophobicContact CE2-CE1 4.07Å; F64-Y145 AromaticContact CZ-CD1 3.95Å; F64-Y145 HydrophobicContact CZ-CD1 3.95Å; F64-Y145 AromaticContact CZ-CE1 3.77Å; F64-Y145 HydrophobicContact CZ-CE1 3.77Å |
| 65 | A | 97.3 | Very high | 96.3 | Very high | 47 Ų | 47 | 65.8 Ų | 65.8 | 39% | 0.388 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 150.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S46 F47 Y67 | S46-A65 CarbonylContact C-O 3.6Å; S46-A65 WeakPolarHBondContact CA-O 3.25Å; S46-A65 WeakPolarHBondContact CB-O 3.48Å; F47-A65 HydrophobicContact CD1-CB 4.48Å; F47-A65 WeakPolarHBondContact CD1-O 3.44Å; F47-A65 HydrophobicContact CE1-CB 4.22Å; F47-A65 PolarHBondContact N-O 2.94Å; F47-A65 PolarHBondContact O-N 3.23Å; A65-Y67 PolarHBondContact O-N 3.23Å |
| 66 | P | 97.6 | Very high | 96.5 | Very high | 119 Ų | 119 | 62.9 Ų | 62.9 | 77% | 0.773 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 138 | 174.4 | -24.6 | 34.4 | 0 | 0 | 0 | 112 | ||
| 67 | Y | 97.4 | Very high | 96.6 | Very high | 15 Ų | 15 | 62.8 Ų | 62.8 | 6% | 0.059 | 35% | 0.351 | C | S | . | . | trans | -116.1 | 144.6 | 176 | -179.5 | -103.2 | 0 | 0 | 0 | 109.9 | I45 F47 A65 D71 F73 F82 V173 | I45-Y67 HydrophobicContact CD1-CD1 3.88Å; I45-Y67 HydrophobicContact CD1-CE1 4.44Å; I45-Y67 HydrophobicContact CG1-CD1 4.15Å; I45-Y67 HydrophobicContact CG2-CD1 4.24Å; I45-Y67 VanDerWaalsContact CG2-O 3.24Å; I45-Y67 WeakPolarHBondContact CG2-O 3.31Å; I45-Y67 PolarHBondContact O-N 3.31Å; F47-Y67 HydrophobicContact CB-CD2 4.48Å; F47-Y67 AromaticContact CD1-CD2 3.89Å; F47-Y67 HydrophobicContact CD1-CD2 3.89Å; F47-Y67 HydrophobicContact CD1-CG 4.25Å; F47-Y67 HydrophobicContact CE1-CD2 4.27Å; F47-Y67 HydrophobicContact CG-CD2 4.14Å; A65-Y67 PolarHBondContact O-N 3.23Å; Y67-D71 HydrophobicContact CD2-CB 4.24Å; Y67-D71 HydrophobicContact CE2-CB 3.69Å; Y67-D71 WeakPolarHBondContact CE2-O 3.39Å; Y67-D71 VanDerWaalsContact CZ-O 3.32Å; Y67-D71 PolarHBondContact OH-O 2.88Å; Y67-F73 HydrophobicContact CE2-CD1 4.02Å; Y67-F82 HydrophobicContact CD1-CD1 4.27Å; Y67-F82 AromaticContact CD1-CE1 3.67Å; Y67-F82 HydrophobicContact CD1-CE1 3.67Å; Y67-F82 AromaticContact CD2-CE1 3.91Å; Y67-F82 HydrophobicContact CD2-CE1 3.91Å; Y67-F82 AromaticContact CE1-CE1 3.81Å; Y67-F82 HydrophobicContact CE1-CE1 3.81Å; Y67-F82 HydrophobicContact CE1-CZ 4.47Å; Y67-F82 HydrophobicContact CE2-CE1 4.07Å; Y67-F82 HydrophobicContact CE2-CZ 4.43Å; Y67-F82 HydrophobicContact CG-CD1 4.36Å; Y67-F82 AromaticContact CG-CE1 3.71Å; Y67-F82 HydrophobicContact CG-CE1 3.71Å; Y67-V173 HydrophobicContact CE1-CB 3.92Å; Y67-V173 HydrophobicContact CE1-CG2 4.1Å; Y67-V173 PolarHBondContact OH-N 3.42Å; Y67-V173 VanDerWaalsContact OH-N 3.07Å | ||
| 68 | K | 96.8 | Very high | 96.7 | Very high | 147 Ų | 147 | 63 Ų | 63 | 64% | 0.639 | 34% | 0.339 | S | S | * | . | trans | -111.6 | 131.8 | 170.4 | -175.2 | -173.6 | 174.7 | -170.9 | 0 | 109.1 | G70 D71 | K68-G70 PolarHBondContact O-N 3.4Å; K68-D71 WeakPolarHBondContact CB-OD2 3.1Å; K68-D71 VanDerWaalsContact O-CB 3.22Å; K68-D71 WeakPolarHBondContact O-CB 3.35Å; K68-D71 PolarHBondContact O-N 2.98Å | ||
| 69 | I | 96.7 | Very high | 96.8 | Very high | 75 Ų | 75 | 58.5 Ų | 58.5 | 39% | 0.385 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.4 | 131.2 | 177.8 | -59.8 | 173.6 | 0 | 0 | 0 | 109.5 | V173 Q174 A176 | I69-V173 WeakPolarHBondContact CG2-O 3.21Å; I69-Q174 WeakPolarHBondContact CG2-O 3.23Å; I69-A176 HydrophobicContact CD1-CB 3.96Å; I69-A176 WeakPolarHBondContact CD1-O 3.47Å; I69-A176 HydrophobicContact CG1-CB 4.32Å |
| 70 | G | 96 | Very high | 97 | Very high | 44 Ų | 44 | 58.5 Ų | 58.5 | 45% | 0.454 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | -13.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K68 V173 | K68-G70 PolarHBondContact O-N 3.4Å; G70-V173 PolarHBondContact N-O 2.98Å |
| 71 | D | 97.4 | Very high | 97.1 | Very high | 79 Ų | 79 | 56.8 Ų | 56.8 | 42% | 0.422 | 31% | 0.306 | S | S | . | . | trans | -67.8 | 147.5 | 174.3 | -72.9 | -3.3 | 0 | 0 | 0 | 110.8 | Y67 K68 | Y67-D71 HydrophobicContact CD2-CB 4.24Å; Y67-D71 HydrophobicContact CE2-CB 3.69Å; Y67-D71 WeakPolarHBondContact CE2-O 3.39Å; Y67-D71 VanDerWaalsContact CZ-O 3.32Å; Y67-D71 PolarHBondContact OH-O 2.88Å; K68-D71 WeakPolarHBondContact CB-OD2 3.1Å; K68-D71 VanDerWaalsContact O-CB 3.22Å; K68-D71 WeakPolarHBondContact O-CB 3.35Å; K68-D71 PolarHBondContact O-N 2.98Å | ||
| 72 | T | 97.7 | Very high | 97.2 | Very high | 98 Ų | 98 | 48.8 Ų | 48.8 | 60% | 0.601 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 144.7 | -177.1 | 57.1 | 0 | 0 | 0 | 0 | 113 | F171 | T72-F171 CarbonylContact C-O 3.55Å; T72-F171 VanDerWaalsContact CA-O 3.24Å; T72-F171 WeakPolarHBondContact CA-O 3.45Å |
| 73 | F | 97.3 | Very high | 97.2 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.018 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 173.7 | 172.6 | 58.5 | -90.1 | 0 | 0 | 0 | 110.2 | Y67 C80 F82 V148 M170 F171 V173 | Y67-F73 HydrophobicContact CE2-CD1 4.02Å; F73-C80 HydrophobicContact CD2-CB 3.38Å; F73-C80 HydrophobicContact CE2-CB 3.6Å; F73-C80 HydrophobicContact CG-CB 4.08Å; F73-C80 HydrophobicContact CZ-CB 4.46Å; F73-F82 AromaticContact CD1-CZ 3.91Å; F73-F82 HydrophobicContact CD1-CZ 3.91Å; F73-F82 HydrophobicContact CE1-CE2 4.19Å; F73-F82 AromaticContact CE1-CZ 3.59Å; F73-F82 HydrophobicContact CE1-CZ 3.59Å; F73-F82 HydrophobicContact CZ-CE2 4.06Å; F73-F82 AromaticContact CZ-CZ 3.94Å; F73-F82 HydrophobicContact CZ-CZ 3.94Å; F73-V148 HydrophobicContact CE2-CG1 4.08Å; F73-V148 HydrophobicContact CZ-CG1 4.1Å; F73-M170 VanDerWaalsContact C-CE 3.47Å; F73-M170 WeakPolarHBondContact O-CE 3.37Å; F73-F171 WeakPolarHBondContact CD1-O 3.47Å; F73-F171 HydrophobicContact CD2-CB 4.13Å; F73-F171 HydrophobicContact CE2-CB 3.66Å; F73-F171 HydrophobicContact CZ-CB 3.89Å; F73-F171 PolarHBondContact N-O 3.4Å; F73-F171 PolarHBondContact O-N 3.38Å; F73-V173 HydrophobicContact CE1-CG2 3.93Å; F73-V173 HydrophobicContact CZ-CG2 4.3Å |
| 74 | G | 95.6 | Very high | 97.3 | Very high | 5 Ų | 5 | 41.8 Ų | 41.8 | 5% | 0.052 | 23% | 0.233 | C | C | . | . | trans | 123.9 | -159.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | L49 | L49-G74 WeakPolarHBondContact CD2-O 3.44Š| ||
| 75 | P | 96.8 | Very high | 97.1 | Very high | 33 Ų | 33 | 41 Ų | 41 | 21% | 0.214 | 23% | 0.231 | C | C | . | . | cis | -86.7 | -165.3 | 19.3 | 36.5 | -42.1 | 0 | 0 | 0 | 115 | W78 C150 P167 R169 M170 | P75-W78 WeakPolarHBondContact O-CB 3.45Å; P75-W78 PolarHBondContact O-N 2.99Å; P75-C150 VanDerWaalsContact O-CB 3.26Å; P75-C150 WeakPolarHBondContact O-CB 3.48Å; P75-P167 WeakPolarHBondContact CB-O 3.28Å; P75-R169 CarbonylContact C-O 3.58Å; P75-R169 VanDerWaalsContact CA-O 3.27Å; P75-R169 WeakPolarHBondContact CA-O 3.43Å; P75-M170 HydrophobicContact CB-SD 4.14Å | ||
| 76 | T | 96.7 | Very high | 96.9 | Very high | 5 Ų | 5 | 38.7 Ų | 38.7 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -40.8 | 140.8 | 174.9 | -53.6 | 0 | 0 | 0 | 0 | 113.8 | W78 C150 A156 D166 R169 | T76-W78 PolarHBondContact O-N 3.43Å; T76-W78 VanDerWaalsContact O-N 3.16Å; T76-C150 CarbonylContact C-O 3.58Å; T76-C150 VanDerWaalsContact CA-O 3.29Å; T76-C150 WeakPolarHBondContact CA-O 3.31Å; T76-A156 HydrophobicContact CG2-CB 3.24Å; T76-D166 VanDerWaalsContact CB-O 3.3Å; T76-D166 WeakPolarHBondContact CB-O 3.41Å; T76-D166 PolarHBondContact OG1-O 2.89Å; T76-R169 PolarHBondContact N-O 3.36Å; T76-R169 VanDerWaalsContact N-O 3.09Å; T76-R169 WeakPolarHBondContact OG1-CB 3.41Å |
| 77 | W | 96.1 | Very high | 96.6 | Very high | 28 Ų | 28 | 35.7 Ų | 35.7 | 11% | 0.106 | 19% | 0.192 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.4 | -9.1 | -177.9 | -46.4 | 124.1 | 0 | 0 | 0 | 116.1 | C150 N151 A156 P165 L266 W267 I585 M587 | W77-C150 PolarHBondContact N-O 3.45Å; W77-N151 HydrophobicContact CE3-CB 3.96Å; W77-N151 HydrophobicContact CH2-CB 4.23Å; W77-N151 HydrophobicContact CZ3-CB 3.52Å; W77-A156 HydrophobicContact CH2-CB 4.21Å; W77-A156 HydrophobicContact CZ2-CB 4.05Å; W77-P165 HydrophobicContact CZ2-CB 3.96Å; W77-P165 HydrophobicContact CZ2-CG 4.04Å; W77-L266 VanDerWaalsContact CH2-O 3.26Å; W77-L266 WeakPolarHBondContact CH2-O 3.47Å; W77-W267 HydrophobicContact CH2-CB 4.04Å; W77-W267 HydrophobicContact CZ3-CB 3.89Å; W77-I585 HydrophobicContact CH2-CD1 4.48Å; W77-I585 HydrophobicContact CZ2-CD1 4.02Å; W77-M587 HydrophobicContact CG-CE 4.44Å; W77-M587 PolarHBondContact NE1-SD 2.75Å; W77-M587 VanDerWaalsContact NE1-SD 3.37Å |
| 78 | W | 97.6 | Very high | 96.3 | Very high | 67 Ų | 67 | 35.3 Ų | 35.3 | 25% | 0.254 | 19% | 0.191 | S | C | . | . | trans | -71.7 | 163.3 | 172.1 | -69.6 | 34.5 | 0 | 0 | 0 | 111.1 | L49 S50 Q51 P75 T76 C150 | L49-W78 HydrophobicContact CD1-CB 4.27Å; L49-W78 HydrophobicContact CD1-CE3 3.87Å; L49-W78 HydrophobicContact CD2-CE3 3.63Å; L49-W78 HydrophobicContact CD2-CZ3 3.63Å; L49-W78 HydrophobicContact CG-CE3 3.54Å; L49-W78 HydrophobicContact CG-CZ3 3.89Å; S50-W78 WeakPolarHBondContact O-CB 3.15Å; Q51-W78 HydrophobicContact CB-CD2 4.35Å; Q51-W78 HydrophobicContact CB-CZ2 4.33Å; Q51-W78 HydrophobicContact CG-CD2 4.04Å; Q51-W78 HydrophobicContact CG-CE3 4.05Å; Q51-W78 HydrophobicContact CG-CH2 3.55Å; Q51-W78 HydrophobicContact CG-CZ2 3.48Å; Q51-W78 VanDerWaalsContact CG-CZ2 3.48Å; Q51-W78 HydrophobicContact CG-CZ3 3.82Å; Q51-W78 VanDerWaalsContact NE2-CH2 3.28Å; P75-W78 WeakPolarHBondContact O-CB 3.45Å; P75-W78 PolarHBondContact O-N 2.99Å; T76-W78 PolarHBondContact O-N 3.43Å; T76-W78 VanDerWaalsContact O-N 3.16Å; W78-C150 HydrophobicContact CB-CB 4.5Å; W78-C150 WeakPolarHBondContact O-CB 3.46Å; W78-C150 PolarHBondContact O-N 2.98Å; W78-C150 PolarHBondContact O-SG 3.21Å | ||
| 79 | T | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124.9 | 177 | -55.8 | 0 | 0 | 0 | 0 | 109.9 | S50 E147 R274 | S50-T79 PolarHBondContact N-O 2.85Å; S50-T79 PolarHBondContact O-N 2.86Å; T79-E147 HydrophobicContact CG2-CG 3.63Å; T79-R274 VanDerWaalsContact CG2-NH1 3.3Å; T79-R274 PolarHBondContact OG1-NH1 2.63Å; T79-R274 PolarHBondContact OG1-NH2 3.02Å |
| 80 | C | 98.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 116.2 | 174.6 | -166.8 | 0 | 0 | 0 | 0 | 109.5 | L49 F73 F82 V148 | L49-C80 HydrophobicContact CD1-CB 4Å; F73-C80 HydrophobicContact CD2-CB 3.38Å; F73-C80 HydrophobicContact CE2-CB 3.6Å; F73-C80 HydrophobicContact CG-CB 4.08Å; F73-C80 HydrophobicContact CZ-CB 4.46Å; C80-F82 HydrophobicContact CB-CE2 3.94Å; C80-F82 HydrophobicContact CB-CZ 4.42Å; C80-F82 WeakPolarHBondContact SG-CE2 3.26Å; C80-F82 WeakPolarHBondContact SG-CZ 3.43Å; C80-V148 PolarHBondContact N-O 3.01Å; C80-V148 PolarHBondContact O-N 3.45Å |
| 81 | W | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 128 | 173.5 | -75.2 | 86.9 | 0 | 0 | 0 | 109.5 | F47 F48 F56 A59 F64 W110 E147 | F47-W81 CarbonylContact C-O 3.42Å; F47-W81 WeakPolarHBondContact CA-O 3.23Å; F48-W81 HydrophobicContact CB-CB 4.48Å; F48-W81 HydrophobicContact CD1-CB 4.45Å; F48-W81 PolarHBondContact N-O 3.18Å; F48-W81 PolarHBondContact O-N 3.14Å; F56-W81 HydrophobicContact CB-CH2 3.92Å; F56-W81 HydrophobicContact CB-CZ3 4.46Å; F56-W81 HydrophobicContact CD2-CH2 4.02Å; F56-W81 AromaticContact CD2-CZ3 3.69Å; F56-W81 HydrophobicContact CD2-CZ3 3.69Å; F56-W81 HydrophobicContact CE2-CZ3 4.48Å; F56-W81 HydrophobicContact CG-CH2 4.48Å; A59-W81 HydrophobicContact CB-CD2 3.46Å; A59-W81 VanDerWaalsContact CB-CD2 3.46Å; A59-W81 HydrophobicContact CB-CE3 4.03Å; A59-W81 HydrophobicContact CB-CG 3.74Å; A59-W81 HydrophobicContact CB-CH2 4.34Å; A59-W81 HydrophobicContact CB-CZ2 3.81Å; A59-W81 HydrophobicContact CB-CZ3 4.44Å; F64-W81 HydrophobicContact CE1-CB 3.77Å; F64-W81 VanDerWaalsContact CE1-O 3.28Å; F64-W81 WeakPolarHBondContact CE1-O 3.34Å; F64-W81 HydrophobicContact CZ-CB 4.01Å; W81-W110 AromaticContact CH2-CD1 3.92Å; W81-W110 HydrophobicContact CH2-CD2 4.33Å; W81-W110 AromaticContact CH2-CE2 3.72Å; W81-W110 HydrophobicContact CH2-CG 4.45Å; W81-W110 HydrophobicContact CH2-CZ2 4.11Å; W81-W110 AromaticContact CH2-NE1 3.41Å; W81-W110 AromaticContact CZ3-CD1 3.55Å; W81-W110 HydrophobicContact CZ3-CD2 4.41Å; W81-W110 HydrophobicContact CZ3-CG 4.09Å; W81-W110 AromaticContact CZ3-NE1 3.55Å; W81-E147 HydrophobicContact CD2-CB 4.03Å; W81-E147 HydrophobicContact CD2-CG 4.15Å; W81-E147 HydrophobicContact CE3-CB 3.85Å; W81-E147 HydrophobicContact CE3-CG 4.44Å; W81-E147 HydrophobicContact CH2-CB 3.71Å; W81-E147 HydrophobicContact CH2-CG 3.95Å; W81-E147 WeakPolarHBondContact CH2-OE2 3.17Å; W81-E147 HydrophobicContact CZ2-CB 3.9Å; W81-E147 HydrophobicContact CZ2-CG 3.61Å; W81-E147 HydrophobicContact CZ3-CB 3.68Å; W81-E147 HydrophobicContact CZ3-CG 4.34Å |
| 82 | F | 98.3 | Very high | 95.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.8 | 171.7 | -65.4 | -91.4 | 0 | 0 | 0 | 109.9 | I45 S46 F47 Y67 F73 C80 V84 W101 Y145 V146 V148 V173 | I45-F82 HydrophobicContact CD1-CD1 3.96Å; I45-F82 HydrophobicContact CG1-CD1 3.97Å; S46-F82 CarbonylContact O-C 3.4Å; S46-F82 VanDerWaalsContact O-CA 3.25Å; S46-F82 WeakPolarHBondContact O-CA 3.43Å; F47-F82 HydrophobicContact CB-CD1 3.73Å; F47-F82 HydrophobicContact CB-CE1 3.7Å; F47-F82 HydrophobicContact CB-CG 4.45Å; F47-F82 HydrophobicContact CB-CZ 4.39Å; Y67-F82 HydrophobicContact CD1-CD1 4.27Å; Y67-F82 AromaticContact CD1-CE1 3.67Å; Y67-F82 HydrophobicContact CD1-CE1 3.67Å; Y67-F82 AromaticContact CD2-CE1 3.91Å; Y67-F82 HydrophobicContact CD2-CE1 3.91Å; Y67-F82 AromaticContact CE1-CE1 3.81Å; Y67-F82 HydrophobicContact CE1-CE1 3.81Å; Y67-F82 HydrophobicContact CE1-CZ 4.47Å; Y67-F82 HydrophobicContact CE2-CE1 4.07Å; Y67-F82 HydrophobicContact CE2-CZ 4.43Å; Y67-F82 HydrophobicContact CG-CD1 4.36Å; Y67-F82 AromaticContact CG-CE1 3.71Å; Y67-F82 HydrophobicContact CG-CE1 3.71Å; F73-F82 AromaticContact CD1-CZ 3.91Å; F73-F82 HydrophobicContact CD1-CZ 3.91Å; F73-F82 HydrophobicContact CE1-CE2 4.19Å; F73-F82 AromaticContact CE1-CZ 3.59Å; F73-F82 HydrophobicContact CE1-CZ 3.59Å; F73-F82 HydrophobicContact CZ-CE2 4.06Å; F73-F82 AromaticContact CZ-CZ 3.94Å; F73-F82 HydrophobicContact CZ-CZ 3.94Å; C80-F82 HydrophobicContact CB-CE2 3.94Å; C80-F82 HydrophobicContact CB-CZ 4.42Å; C80-F82 WeakPolarHBondContact SG-CE2 3.26Å; C80-F82 WeakPolarHBondContact SG-CZ 3.43Å; F82-V84 HydrophobicContact CB-CG2 4.41Å; F82-W101 HydrophobicContact CB-CH2 3.78Å; F82-W101 HydrophobicContact CD1-CH2 4.01Å; F82-W101 AromaticContact CD2-CH2 3.73Å; F82-W101 HydrophobicContact CD2-CH2 3.73Å; F82-W101 AromaticContact CD2-CZ2 3.78Å; F82-W101 HydrophobicContact CD2-CZ2 3.78Å; F82-W101 HydrophobicContact CE2-CH2 4.31Å; F82-W101 HydrophobicContact CE2-CZ2 4.11Å; F82-W101 AromaticContact CG-CH2 3.56Å; F82-W101 HydrophobicContact CG-CH2 3.56Å; F82-W101 HydrophobicContact CG-CZ2 4.11Å; F82-Y145 CarbonylContact O-C 3.49Å; F82-Y145 WeakPolarHBondContact O-CA 3.26Å; F82-V146 HydrophobicContact CB-CB 4.31Å; F82-V146 PolarHBondContact N-O 2.84Å; F82-V146 PolarHBondContact O-N 3.15Å; F82-V148 HydrophobicContact CD2-CB 4.49Å; F82-V148 HydrophobicContact CD2-CG2 3.82Å; F82-V148 HydrophobicContact CE2-CB 4.11Å; F82-V148 HydrophobicContact CE2-CG2 3.73Å; F82-V173 HydrophobicContact CE1-CG2 3.95Å; F82-V173 HydrophobicContact CE2-CG2 3.89Å; F82-V173 HydrophobicContact CZ-CG2 3.5Å; F82-V173 VanDerWaalsContact CZ-CG2 3.5Å |
| 83 | K | 98.1 | Very high | 94.7 | Very high | 73 Ų | 73 | 34.4 Ų | 34.4 | 32% | 0.317 | 17% | 0.169 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.7 | 166.3 | -179.8 | -177.4 | -177.6 | -178.6 | 0 | 108 | S46 F64 T143 Y145 | S46-K83 PolarHBondContact N-O 3.49Å; S46-K83 PolarHBondContact O-N 3.13Å; S46-K83 PolarHBondContact OG-O 3.24Å; F64-K83 HydrophobicContact CD1-CB 3.6Å; F64-K83 HydrophobicContact CD2-CB 4.5Å; F64-K83 HydrophobicContact CE1-CB 3.83Å; F64-K83 HydrophobicContact CG-CB 3.99Å; F64-K83 HydrophobicContact CZ-CB 4.4Å; K83-T143 HydrophobicContact CG-CG2 4.02Å; K83-Y145 HydrophobicContact CB-CD1 3.98Å; K83-Y145 HydrophobicContact CB-CE1 3.8Å; K83-Y145 HydrophobicContact CD-CE1 4.03Å; K83-Y145 HydrophobicContact CG-CD1 4.29Å; K83-Y145 HydrophobicContact CG-CE1 3.81Å |
| 84 | V | 96.9 | Very high | 94.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 117.7 | -174.7 | 179.2 | 0 | 0 | 0 | 0 | 108.8 | L42 I45 F82 L86 W101 T143 L144 V146 | L42-V84 HydrophobicContact CD1-CG1 3.76Å; L42-V84 HydrophobicContact CD2-CG1 3.97Å; L42-V84 HydrophobicContact CG-CG1 4.33Å; I45-V84 HydrophobicContact CG1-CG2 4.33Å; F82-V84 HydrophobicContact CB-CG2 4.41Å; V84-L86 HydrophobicContact CG1-CD2 4.4Å; V84-W101 HydrophobicContact CG2-CZ3 4Å; V84-T143 CarbonylContact O-C 3.5Å; V84-T143 WeakPolarHBondContact O-CA 3.46Å; V84-L144 PolarHBondContact N-O 3.3Å; V84-L144 PolarHBondContact O-N 2.8Å; V84-V146 HydrophobicContact CG2-CG2 4.47Å |
| 85 | S | 95 | Very high | 94.2 | Very high | 21 Ų | 21 | 41 Ų | 41 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 131.9 | 168.3 | -41.4 | 0 | 0 | 0 | 0 | 108.6 | E43 T44 | E43-S85 WeakPolarHBondContact CB-O 3.37Å; E43-S85 PolarHBondContact N-O 2.77Å; E43-S85 VanDerWaalsContact N-O 3.1Å; T44-S85 PolarHBondContact N-O 2.82Å; T44-S85 VanDerWaalsContact N-O 3.16Å; T44-S85 PolarHBondContact O-N 2.88Å; T44-S85 WeakPolarHBondContact OG1-CB 3.4Å; T44-S85 PolarHBondContact OG1-OG 3.32Å; T44-S85 VanDerWaalsContact OG1-OG 3.05Å |
| 86 | L | 92.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 145.8 | -177.1 | 64.1 | 90.3 | 0 | 0 | 0 | 110.2 | L42 V84 I88 L130 S141 V142 L144 L178 | L42-L86 HydrophobicContact CD2-CB 4.12Å; V84-L86 HydrophobicContact CG1-CD2 4.4Å; L86-I88 HydrophobicContact CD1-CD1 4.46Å; L86-I88 HydrophobicContact CD1-CG1 3.91Å; L86-L130 HydrophobicContact CD1-CD1 4.01Å; L86-L130 HydrophobicContact CD2-CD1 3.98Å; L86-L130 HydrophobicContact CD2-CD2 4.06Å; L86-S141 WeakPolarHBondContact O-CA 3.19Å; L86-V142 HydrophobicContact CD1-CB 3.86Å; L86-V142 HydrophobicContact CD1-CG2 4.27Å; L86-V142 HydrophobicContact CG-CB 4.13Å; L86-V142 PolarHBondContact N-O 3.06Å; L86-V142 PolarHBondContact O-N 3.41Å; L86-L144 HydrophobicContact CD2-CD1 4.14Å; L86-L178 HydrophobicContact CB-CD1 4.31Å; L86-L178 HydrophobicContact CB-CD2 4.22Å; L86-L178 HydrophobicContact CD1-CD1 4.42Å; L86-L178 HydrophobicContact CD1-CD2 4.12Å; L86-L178 HydrophobicContact CD2-CD2 4.1Å; L86-L178 HydrophobicContact CG-CD2 4.36Å |
| 87 | T | 91.6 | Very high | 94 | Very high | 55 Ų | 55 | 40.2 Ų | 40.2 | 34% | 0.337 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 117.2 | 173 | -67.3 | 0 | 0 | 0 | 0 | 109.1 | E43 Q140 | E43-T87 PolarHBondContact OE2-OG1 3.07Å; T87-Q140 CarbonylContact C-O 3.59Å; T87-Q140 WeakPolarHBondContact CA-O 3.33Å |
| 88 | I | 90.8 | Very high | 94 | Very high | 8 Ų | 8 | 39.1 Ų | 39.1 | 4% | 0.041 | 20% | 0.198 | C | C | . | . | trans | -78.3 | 127.4 | -176.2 | -55 | 176.8 | 0 | 0 | 0 | 109.6 | L86 K90 W92 V97 L134 Q140 L178 | L86-I88 HydrophobicContact CD1-CD1 4.46Å; L86-I88 HydrophobicContact CD1-CG1 3.91Å; I88-K90 PolarHBondContact O-N 3.06Å; I88-W92 HydrophobicContact CG2-CE3 4.26Å; I88-V97 HydrophobicContact CD1-CG1 4.33Å; I88-V97 HydrophobicContact CG2-CG1 4.23Å; I88-V97 HydrophobicContact CG2-CG2 4.17Å; I88-L134 HydrophobicContact CD1-CD1 4.16Å; I88-L134 HydrophobicContact CG2-CD1 4.25Å; I88-L134 HydrophobicContact CG2-CD2 3.64Å; I88-Q140 PolarHBondContact N-O 2.82Å; I88-L178 HydrophobicContact CG1-CD1 4.33Å | ||
| 89 | P | 90.4 | Very high | 93.9 | Very high | 18 Ų | 18 | 35.9 Ų | 35.9 | 12% | 0.117 | 19% | 0.186 | C | C | . | . | trans | -59.3 | 134 | 178.5 | -25.4 | 34.8 | 0 | 0 | 0 | 113.1 | Y40 S91 W92 | Y40-P89 HydrophobicContact CD1-CG 3.93Å; Y40-P89 HydrophobicContact CD2-CG 3.55Å; Y40-P89 HydrophobicContact CE1-CG 4.21Å; Y40-P89 HydrophobicContact CE2-CG 3.86Å; Y40-P89 HydrophobicContact CG-CG 3.59Å; P89-S91 PolarHBondContact O-N 3.33Å; P89-S91 VanDerWaalsContact O-N 3.16Å; P89-W92 HydrophobicContact CB-CD2 4.31Å; P89-W92 HydrophobicContact CB-CG 4.17Å; P89-W92 HydrophobicContact CG-CD2 4.1Å; P89-W92 HydrophobicContact CG-CE3 4.48Å; P89-W92 HydrophobicContact CG-CG 4.48Å; P89-W92 HydrophobicContact CG-CZ2 4.39Å; P89-W92 WeakPolarHBondContact O-CB 3.47Å; P89-W92 PolarHBondContact O-N 3.36Å | ||
| 90 | K | 87.1 | Confident | 93.8 | Very high | 157 Ų | 157 | 36.2 Ų | 36.2 | 68% | 0.683 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -60 | -26.8 | 176.6 | -66.1 | -173 | -179.5 | 179.4 | 0 | 113.4 | I88 W92 R93 | I88-K90 PolarHBondContact O-N 3.06Å; K90-W92 PolarHBondContact O-N 3.25Å; K90-R93 PolarHBondContact O-N 3.11Å |
| 91 | S | 90.8 | Very high | 93.8 | Very high | 92 Ų | 92 | 36.3 Ų | 36.3 | 64% | 0.643 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -64 | -19.4 | 175.9 | 47.6 | 0 | 0 | 0 | 0 | 113 | P89 R93 | P89-S91 PolarHBondContact O-N 3.33Å; P89-S91 VanDerWaalsContact O-N 3.16Å; S91-R93 PolarHBondContact O-N 3.17Å |
| 92 | W | 92.6 | Very high | 93.7 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -88.3 | 15.2 | -179.9 | -62.8 | 3.4 | 0 | 0 | 0 | 113.1 | E38 I88 P89 K90 G94 K95 V97 L134 L178 I180 | E38-W92 HydrophobicContact CB-CZ2 3.87Å; E38-W92 HydrophobicContact CG-CZ2 3.93Å; E38-W92 WeakPolarHBondContact O-CH2 3.42Å; E38-W92 WeakPolarHBondContact O-CZ2 3.41Å; E38-W92 PolarHBondContact OE2-NE1 2.91Å; I88-W92 HydrophobicContact CG2-CE3 4.26Å; P89-W92 HydrophobicContact CB-CD2 4.31Å; P89-W92 HydrophobicContact CB-CG 4.17Å; P89-W92 HydrophobicContact CG-CD2 4.1Å; P89-W92 HydrophobicContact CG-CE3 4.48Å; P89-W92 HydrophobicContact CG-CG 4.48Å; P89-W92 HydrophobicContact CG-CZ2 4.39Å; P89-W92 WeakPolarHBondContact O-CB 3.47Å; P89-W92 PolarHBondContact O-N 3.36Å; K90-W92 PolarHBondContact O-N 3.25Å; W92-G94 PolarHBondContact O-N 3.25Å; W92-K95 HydrophobicContact CB-CB 4.5Å; W92-K95 WeakPolarHBondContact O-CB 3.25Å; W92-K95 WeakPolarHBondContact O-CG 2.83Å; W92-K95 PolarHBondContact O-N 3.25Å; W92-V97 HydrophobicContact CB-CG2 4.48Å; W92-V97 HydrophobicContact CE3-CG1 3.98Å; W92-V97 HydrophobicContact CE3-CG2 3.9Å; W92-V97 HydrophobicContact CZ3-CG1 3.97Å; W92-L134 HydrophobicContact CB-CD2 4.45Å; W92-L178 HydrophobicContact CH2-CB 4.08Å; W92-L178 HydrophobicContact CZ3-CB 3.82Å; W92-I180 HydrophobicContact CD2-CD1 3.92Å; W92-I180 HydrophobicContact CD2-CG1 3.62Å; W92-I180 HydrophobicContact CE3-CG1 3.82Å; W92-I180 HydrophobicContact CG-CD1 3.89Å; W92-I180 HydrophobicContact CG-CG1 4.01Å; W92-I180 HydrophobicContact CH2-CG1 4.26Å; W92-I180 HydrophobicContact CZ2-CD1 4.42Å; W92-I180 HydrophobicContact CZ2-CG1 4.1Å; W92-I180 HydrophobicContact CZ3-CG1 4.13Å |
| 93 | R | 89.1 | Confident | 93.5 | Very high | 154 Ų | 154 | 38.4 Ų | 38.4 | 58% | 0.581 | 20% | 0.198 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 134.4 | 175.1 | -179.6 | 178.5 | 171.2 | 155.5 | 9.1 | 111.3 | K90 S91 K95 D136 | K90-R93 PolarHBondContact O-N 3.11Å; S91-R93 PolarHBondContact O-N 3.17Å; R93-K95 PolarHBondContact O-N 2.97Å; R93-D136 IonicContact CZ-OD1 2.67Å; R93-D136 IonicContact CZ-OD2 3.84Å; R93-D136 IonicContact NE-OD1 2.83Å; R93-D136 PolarHBondContact NE-OD1 3.11Å; R93-D136 IonicContact NE-OD2 2.68Å; R93-D136 IonicContact NH1-OD1 3.8Å; R93-D136 PolarHBondContact NH1-OD1 2.84Å; R93-D136 IonicContact NH1-OD2 2.83Å; R93-D136 PolarHBondContact NH1-OD2 2.75Å; R93-D136 IonicContact NH2-OD1 3.18Å; R93-D136 IonicContact NH2-OD2 3.65Å; R93-D136 PolarHBondContact NH2-OD2 3.25Å |
| 94 | G | 89.7 | Confident | 93.3 | Very high | 45 Ų | 45 | 37.1 Ų | 37.1 | 46% | 0.464 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 10.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | W92 L134 | W92-G94 PolarHBondContact O-N 3.25Å; G94-L134 PolarHBondContact N-O 3.01Å |
| 95 | K | 92.5 | Very high | 93.2 | Very high | 102 Ų | 102 | 37.2 Ų | 37.2 | 44% | 0.443 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -103.5 | 153.4 | 174.8 | -55.5 | -61.5 | -175.6 | 177.3 | 0 | 111 | W92 R93 C133 L134 I180 | W92-K95 HydrophobicContact CB-CB 4.5Å; W92-K95 WeakPolarHBondContact O-CB 3.25Å; W92-K95 WeakPolarHBondContact O-CG 2.83Å; W92-K95 PolarHBondContact O-N 3.25Å; R93-K95 PolarHBondContact O-N 2.97Å; K95-C133 WeakPolarHBondContact O-CA 3.41Å; K95-L134 PolarHBondContact O-N 3.43Å; K95-I180 HydrophobicContact CB-CG1 4.48Å; K95-I180 HydrophobicContact CB-CG2 4.16Å; K95-I180 HydrophobicContact CD-CG2 4.48Å; K95-I180 HydrophobicContact CG-CD1 4.29Å; K95-I180 HydrophobicContact CG-CG2 4.44Å |
| 96 | E | 94.9 | Very high | 93.2 | Very high | 22 Ų | 22 | 36.2 Ų | 36.2 | 10% | 0.103 | 19% | 0.189 | C | C | . | . | trans | -80.2 | 127.7 | 167.9 | -178.9 | 167.1 | -170.4 | 0 | 0 | 108.9 | H98 D132 I180 F181 R183 | E96-H98 IonicContact OE1-NE2 2.81Å; E96-H98 PolarHBondContact OE1-NE2 2.92Å; E96-H98 VanDerWaalsContact OE1-NE2 3.08Å; E96-D132 WeakPolarHBondContact CB-O 3.43Å; E96-I180 WeakPolarHBondContact O-CA 3.47Å; E96-F181 HydrophobicContact CG-CB 4.21Å; E96-F181 HydrophobicContact CG-CD1 4.47Å; E96-F181 PolarHBondContact O-N 3.16Å; E96-R183 IonicContact OE1-CZ 3.01Å; E96-R183 IonicContact OE1-NE 2.9Å; E96-R183 IonicContact OE1-NH2 3.43Å; E96-R183 PolarHBondContact OE1-NH2 2.97Å; E96-R183 IonicContact OE2-CZ 3.88Å; E96-R183 IonicContact OE2-NE 3.83Å; E96-R183 PolarHBondContact OE2-NE 3.41Å; E96-R183 IonicContact OE2-NH2 3.88Å | ||
| 97 | V | 95.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 126.5 | -172 | -176.9 | 0 | 0 | 0 | 0 | 110.1 | I88 W92 L130 C131 | I88-V97 HydrophobicContact CD1-CG1 4.33Å; I88-V97 HydrophobicContact CG2-CG1 4.23Å; I88-V97 HydrophobicContact CG2-CG2 4.17Å; W92-V97 HydrophobicContact CB-CG2 4.48Å; W92-V97 HydrophobicContact CE3-CG1 3.98Å; W92-V97 HydrophobicContact CE3-CG2 3.9Å; W92-V97 HydrophobicContact CZ3-CG1 3.97Å; V97-L130 HydrophobicContact CG1-CD1 4.3Å; V97-L130 WeakPolarHBondContact O-CB 3.46Å; V97-L130 PolarHBondContact O-N 2.75Å; V97-C131 PolarHBondContact N-O 2.99Å; V97-C131 PolarHBondContact O-N 3.43Å |
| 98 | H | 95.8 | Very high | 93.6 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 2% | 0.023 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 151.4 | 178.2 | -69.5 | -155.9 | 0 | 0 | 0 | 110.9 | E96 S127 Y128 L178 V179 F181 | E96-H98 IonicContact OE1-NE2 2.81Å; E96-H98 PolarHBondContact OE1-NE2 2.92Å; E96-H98 VanDerWaalsContact OE1-NE2 3.08Å; H98-S127 PolarHBondContact ND1-OG 3.02Å; H98-S127 VanDerWaalsContact ND1-OG 3.07Å; H98-Y128 CarbonylContact C-O 3.54Å; H98-Y128 VanDerWaalsContact CA-O 3.27Å; H98-Y128 WeakPolarHBondContact CA-O 2.94Å; H98-L178 WeakPolarHBondContact O-CA 3.32Å; H98-V179 HydrophobicContact CB-CG2 3.9Å; H98-V179 PolarHBondContact N-O 2.71Å; H98-V179 PolarHBondContact O-N 2.97Å; H98-F181 VanDerWaalsContact CD2-CB 3.47Å; H98-F181 WeakPolarHBondContact CD2-CB 3.42Å; H98-F181 AromaticContact CE1-CD1 3.64Å; H98-F181 AromaticContact CE1-CD2 3.65Å; H98-F181 AromaticContact CE1-CG 3.37Å; H98-F181 WeakPolarHBondContact CE1-CG 3.42Å; H98-F181 AromaticContact ND1-CD2 3.91Å; H98-F181 AromaticContact ND1-CG 3.92Å; H98-F181 WeakPolarHBondContact NE2-CB 3.49Å; H98-F181 AromaticContact NE2-CD1 3.58Å; H98-F181 AromaticContact NE2-CG 3.44Å; H98-F181 WeakPolarHBondContact NE2-CG 3.11Å |
| 99 | L | 96.2 | Very high | 94 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 112.8 | 155.4 | 173 | 64.8 | 0 | 0 | 0 | 107.7 | L42 S127 Y128 L130 L144 | L42-L99 HydrophobicContact CD1-CD1 4.48Å; L42-L99 HydrophobicContact CD2-CD1 3.83Å; L99-S127 CarbonylContact O-C 3.58Å; L99-S127 WeakPolarHBondContact O-CA 3.48Å; L99-S127 WeakPolarHBondContact O-CB 3.34Å; L99-Y128 PolarHBondContact N-O 3.23Å; L99-Y128 PolarHBondContact O-N 2.93Å; L99-L130 HydrophobicContact CB-CD1 4.14Å; L99-L130 HydrophobicContact CB-CG 4.23Å; L99-L144 HydrophobicContact CD2-CD1 4.05Å |
| 100 | L | 96.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 125.5 | 169.9 | -176.3 | 69.1 | 0 | 0 | 0 | 108.7 | Y36 T126 K175 A176 E177 V179 | Y36-L100 HydrophobicContact CE1-CD1 4.44Å; Y36-L100 HydrophobicContact CE2-CD1 4.37Å; L100-T126 WeakPolarHBondContact CD1-O 3.4Å; L100-K175 HydrophobicContact CD2-CD 4.1Å; L100-A176 VanDerWaalsContact O-CA 3.27Å; L100-A176 WeakPolarHBondContact O-CA 3.44Å; L100-E177 HydrophobicContact CB-CG 4.24Å; L100-E177 HydrophobicContact CD2-CG 4.24Å; L100-E177 PolarHBondContact N-O 3.11Å; L100-E177 PolarHBondContact O-N 3.06Å; L100-E177 VanDerWaalsContact O-N 3.07Å; L100-V179 HydrophobicContact CB-CG1 4.1Å; L100-V179 HydrophobicContact CB-CG2 4.07Å; L100-V179 HydrophobicContact CD2-CG1 4.19Å |
| 101 | W | 96.6 | Very high | 94.6 | Very high | 3 Ų | 3 | 29.4 Ų | 29.4 | 1% | 0.011 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 116.8 | -176.8 | -177.3 | -78.9 | 0 | 0 | 0 | 110.7 | I45 F82 V84 S103 L119 T126 V146 V148 V173 K175 A176 | I45-W101 HydrophobicContact CD1-CH2 3.98Å; I45-W101 HydrophobicContact CD1-CZ3 3.84Å; F82-W101 HydrophobicContact CB-CH2 3.78Å; F82-W101 HydrophobicContact CD1-CH2 4.01Å; F82-W101 AromaticContact CD2-CH2 3.73Å; F82-W101 HydrophobicContact CD2-CH2 3.73Å; F82-W101 AromaticContact CD2-CZ2 3.78Å; F82-W101 HydrophobicContact CD2-CZ2 3.78Å; F82-W101 HydrophobicContact CE2-CH2 4.31Å; F82-W101 HydrophobicContact CE2-CZ2 4.11Å; F82-W101 AromaticContact CG-CH2 3.56Å; F82-W101 HydrophobicContact CG-CH2 3.56Å; F82-W101 HydrophobicContact CG-CZ2 4.11Å; V84-W101 HydrophobicContact CG2-CZ3 4Å; W101-S103 PolarHBondContact NE1-OG 3.06Å; W101-L119 HydrophobicContact CB-CD1 3.87Å; W101-L119 HydrophobicContact CG-CD1 3.92Å; W101-T126 CarbonylContact C-O 3.53Å; W101-T126 PolarHBondContact N-O 2.94Å; W101-T126 CarbonylContact O-C 3.47Å; W101-T126 WeakPolarHBondContact O-CA 3.29Å; W101-V146 HydrophobicContact CD2-CG1 4.29Å; W101-V146 HydrophobicContact CD2-CG2 4.44Å; W101-V146 HydrophobicContact CE3-CG2 4.18Å; W101-V146 HydrophobicContact CH2-CB 4.14Å; W101-V146 HydrophobicContact CH2-CG1 4.39Å; W101-V146 HydrophobicContact CH2-CG2 4.33Å; W101-V146 HydrophobicContact CZ2-CB 4.12Å; W101-V146 HydrophobicContact CZ2-CG1 3.87Å; W101-V146 HydrophobicContact CZ3-CB 4.44Å; W101-V146 HydrophobicContact CZ3-CG2 4.12Å; W101-V148 HydrophobicContact CZ2-CG2 3.85Å; W101-V173 HydrophobicContact CD2-CG1 4.33Å; W101-V173 HydrophobicContact CE3-CG1 4.47Å; W101-V173 HydrophobicContact CH2-CG1 4.08Å; W101-V173 HydrophobicContact CH2-CG2 3.9Å; W101-V173 HydrophobicContact CZ2-CB 4.39Å; W101-V173 HydrophobicContact CZ2-CG1 3.92Å; W101-V173 HydrophobicContact CZ2-CG2 3.49Å; W101-V173 VanDerWaalsContact CZ2-CG2 3.49Å; W101-V173 HydrophobicContact CZ3-CG1 4.36Å; W101-K175 WeakPolarHBondContact CA-O 3.42Å; W101-A176 HydrophobicContact CE3-CB 3.88Å; W101-A176 HydrophobicContact CZ3-CB 3.96Å |
| 102 | E | 96.1 | Very high | 94.6 | Very high | 37 Ų | 37 | 32.1 Ų | 32.1 | 17% | 0.173 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 120.5 | 174.7 | -65 | 176.5 | -167.4 | 0 | 0 | 108.8 | T126 V173 Q174 K175 | E102-T126 HydrophobicContact CG-CG2 4.09Å; E102-V173 CarbonylContact O-C 3.59Å; E102-V173 WeakPolarHBondContact O-CA 3.37Å; E102-V173 WeakPolarHBondContact O-CG1 3.45Å; E102-Q174 PolarHBondContact O-N 2.9Å; E102-Q174 PolarHBondContact O-OE1 3.14Å; E102-K175 HydrophobicContact CB-CB 4.04Å; E102-K175 HydrophobicContact CB-CG 4.41Å; E102-K175 VanDerWaalsContact CD-NZ 3.29Å; E102-K175 HydrophobicContact CG-CB 4.26Å; E102-K175 HydrophobicContact CG-CD 4.41Å; E102-K175 PolarHBondContact N-O 3.35Å; E102-K175 PolarHBondContact O-N 2.86Å; E102-K175 IonicContact OE1-NZ 3.61Å; E102-K175 PolarHBondContact OE1-NZ 3.04Å; E102-K175 WeakPolarHBondContact OE2-CD 3.43Å; E102-K175 WeakPolarHBondContact OE2-CE 3.4Å; E102-K175 IonicContact OE2-NZ 3.72Å; E102-K175 PolarHBondContact OE2-NZ 3.3Å |
| 103 | S | 95.3 | Very high | 94.5 | Very high | 6 Ų | 6 | 33 Ų | 33 | 4% | 0.042 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 156.8 | 176.4 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | W101 G105 S172 Q174 | W101-S103 PolarHBondContact NE1-OG 3.06Å; S103-G105 PolarHBondContact O-N 3.07Å; S103-G105 PolarHBondContact OG-O 3.16Å; S103-G105 VanDerWaalsContact OG-O 3.08Å; S103-S172 VanDerWaalsContact CA-O 3.3Å; S103-S172 WeakPolarHBondContact CA-O 3.3Å; S103-Q174 VanDerWaalsContact CA-OE1 3.27Å |
| 104 | D | 93.6 | Very high | 94.7 | Very high | 47 Ų | 47 | 30.8 Ų | 30.8 | 25% | 0.251 | 16% | 0.164 | S | C | . | . | S | Bend | trans | -67.3 | -12.9 | 175.9 | -68.5 | -41.3 | 0 | 0 | 0 | 114.3 | F171 S172 Q174 | D104-F171 HydrophobicContact CB-CB 4.13Å; D104-F171 HydrophobicContact CB-CD1 3.61Å; D104-F171 HydrophobicContact CB-CE1 4.48Å; D104-F171 HydrophobicContact CB-CG 4.29Å; D104-S172 PolarHBondContact N-O 3.45Å; D104-S172 PolarHBondContact OD2-N 3.45Å; D104-S172 PolarHBondContact OD2-OG 3.11Å; D104-Q174 PolarHBondContact OD1-NE2 3.27Å; D104-Q174 PolarHBondContact OD2-NE2 2.75Å |
| 105 | G | 94.1 | Very high | 95 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.01 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -122.6 | 169.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S103 A149 N151 | S103-G105 PolarHBondContact O-N 3.07Å; S103-G105 PolarHBondContact OG-O 3.16Å; S103-G105 VanDerWaalsContact OG-O 3.08Å; G105-A149 VanDerWaalsContact CA-O 3.32Å; G105-A149 WeakPolarHBondContact CA-O 3.45Å; G105-N151 WeakPolarHBondContact CA-O 3.34Å |
| 106 | E | 96.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 122.9 | 178.9 | -60.1 | -175.4 | 113.5 | 0 | 0 | 111.6 | T120 V148 A149 N151 L153 K275 R278 | E106-T120 HydrophobicContact CG-CG2 4.14Å; E106-V148 CarbonylContact O-C 3.49Å; E106-V148 WeakPolarHBondContact O-CA 3.45Å; E106-A149 PolarHBondContact N-O 3.46Å; E106-A149 PolarHBondContact O-N 2.81Å; E106-N151 PolarHBondContact N-O 3.46Å; E106-N151 VanDerWaalsContact N-O 3.15Å; E106-N151 PolarHBondContact OE2-ND2 3.07Å; E106-L153 WeakPolarHBondContact OE1-CA 3.35Å; E106-L153 VanDerWaalsContact OE1-CD1 3.27Å; E106-L153 WeakPolarHBondContact OE1-CD1 3.31Å; E106-K275 IonicContact OE1-NZ 2.95Å; E106-K275 PolarHBondContact OE1-NZ 3Å; E106-K275 WeakPolarHBondContact OE2-CE 3.33Å; E106-K275 IonicContact OE2-NZ 3.72Å; E106-K275 PolarHBondContact OE2-NZ 3.05Å; E106-R278 IonicContact OE1-NH1 3.84Å; E106-R278 IonicContact OE2-CZ 3.33Å; E106-R278 IonicContact OE2-NH1 2.74Å; E106-R278 PolarHBondContact OE2-NH1 3.33Å |
| 107 | G | 96 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 147.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G118 L119 E147 | G107-G118 CarbonylContact O-C 3.58Å; G107-G118 WeakPolarHBondContact O-CA 3.19Å; G107-L119 WeakPolarHBondContact CA-O 3.48Å; G107-L119 PolarHBondContact N-O 3.3Å; G107-L119 PolarHBondContact O-N 2.94Å; G107-E147 CarbonylContact C-O 3.36Å; G107-E147 VanDerWaalsContact CA-O 3.23Å; G107-E147 WeakPolarHBondContact CA-O 3.41Å |
| 108 | M | 97.1 | Very high | 95.2 | Very high | 3 Ų | 3 | 26.6 Ų | 26.6 | 2% | 0.015 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 123.2 | 162.9 | 172.1 | 70.8 | 95.2 | 0 | 0 | 109 | W110 P115 V146 E147 R278 V281 | M108-W110 HydrophobicContact CG-CG 4.49Å; M108-W110 HydrophobicContact CG-CZ2 4.32Å; M108-W110 VanDerWaalsContact CG-NE1 3.28Å; M108-W110 VanDerWaalsContact O-CD1 3.26Å; M108-P115 HydrophobicContact CE-CB 3.62Å; M108-P115 HydrophobicContact CG-CB 4.19Å; M108-P115 HydrophobicContact SD-CB 3.62Å; M108-V146 CarbonylContact O-C 3.55Å; M108-V146 WeakPolarHBondContact O-CA 3.34Å; M108-E147 HydrophobicContact CB-CB 4.28Å; M108-E147 PolarHBondContact N-O 3.47Å; M108-E147 PolarHBondContact O-N 3.24Å; M108-R278 HydrophobicContact CE-CB 3.72Å; M108-R278 HydrophobicContact SD-CB 4.22Å; M108-V281 HydrophobicContact CE-CG1 4.06Å; M108-V281 HydrophobicContact SD-CG1 3.93Å |
| 109 | V | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 133.4 | 172.8 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | V116 Q117 L119 Y128 L144 | V109-V116 HydrophobicContact CB-CG2 3.83Å; V109-V116 HydrophobicContact CG1-CG2 3.63Å; V109-V116 WeakPolarHBondContact O-CG2 3.19Å; V109-V116 PolarHBondContact O-N 2.69Å; V109-Q117 PolarHBondContact N-O 3.39Å; V109-L119 HydrophobicContact CG2-CD1 3.29Å; V109-L119 HydrophobicContact CG2-CG 3.77Å; V109-Y128 HydrophobicContact CG1-CD1 4.07Å; V109-Y128 HydrophobicContact CG1-CE1 4.16Å; V109-Y128 HydrophobicContact CG1-CG 4.29Å; V109-Y128 HydrophobicContact CG2-CG 4.37Å; V109-L144 HydrophobicContact CG1-CD1 4.37Å |
| 110 | W | 97.2 | Very high | 95 | Very high | 19 Ų | 19 | 26.9 Ų | 26.9 | 7% | 0.072 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 128.6 | 175.3 | -63.5 | 81.4 | 0 | 0 | 0 | 110.2 | F56 W81 M108 Q114 P115 Y145 E147 Y310 | F56-W110 HydrophobicContact CB-CD2 4.08Å; F56-W110 HydrophobicContact CB-CE3 3.68Å; F56-W110 HydrophobicContact CB-CH2 3.86Å; F56-W110 HydrophobicContact CB-CZ2 4.22Å; F56-W110 HydrophobicContact CB-CZ3 3.56Å; F56-W110 HydrophobicContact CD2-CB 3.87Å; F56-W110 AromaticContact CD2-CD2 3.73Å; F56-W110 HydrophobicContact CD2-CD2 3.73Å; F56-W110 AromaticContact CD2-CE3 3.74Å; F56-W110 HydrophobicContact CD2-CE3 3.74Å; F56-W110 AromaticContact CD2-CG 3.8Å; F56-W110 HydrophobicContact CD2-CG 3.8Å; F56-W110 HydrophobicContact CD2-CZ3 4.49Å; F56-W110 HydrophobicContact CE2-CB 3.87Å; F56-W110 HydrophobicContact CE2-CG 4.3Å; F56-W110 HydrophobicContact CG-CD2 4.12Å; F56-W110 AromaticContact CG-CE3 3.71Å; F56-W110 HydrophobicContact CG-CE3 3.71Å; F56-W110 HydrophobicContact CG-CZ3 4.05Å; W81-W110 AromaticContact CH2-CD1 3.92Å; W81-W110 HydrophobicContact CH2-CD2 4.33Å; W81-W110 AromaticContact CH2-CE2 3.72Å; W81-W110 HydrophobicContact CH2-CG 4.45Å; W81-W110 HydrophobicContact CH2-CZ2 4.11Å; W81-W110 AromaticContact CH2-NE1 3.41Å; W81-W110 AromaticContact CZ3-CD1 3.55Å; W81-W110 HydrophobicContact CZ3-CD2 4.41Å; W81-W110 HydrophobicContact CZ3-CG 4.09Å; W81-W110 AromaticContact CZ3-NE1 3.55Å; M108-W110 HydrophobicContact CG-CG 4.49Å; M108-W110 HydrophobicContact CG-CZ2 4.32Å; M108-W110 VanDerWaalsContact CG-NE1 3.28Å; M108-W110 VanDerWaalsContact O-CD1 3.26Å; W110-Q114 CarbonylContact C-O 3.47Å; W110-Q114 VanDerWaalsContact CA-O 3.28Å; W110-Q114 WeakPolarHBondContact CA-O 3.43Å; W110-Q114 VanDerWaalsContact CE3-C 3.48Å; W110-P115 HydrophobicContact CD2-CB 4.36Å; W110-P115 HydrophobicContact CE3-CB 4.27Å; W110-P115 HydrophobicContact CH2-CB 4.33Å; W110-P115 HydrophobicContact CH2-CG 4.41Å; W110-P115 HydrophobicContact CZ2-CB 4.43Å; W110-P115 HydrophobicContact CZ3-CB 4.26Å; W110-P115 HydrophobicContact CZ3-CG 4.24Å; W110-Y145 PolarHBondContact N-O 3.25Å; W110-Y145 PolarHBondContact O-N 3.49Å; W110-E147 PolarHBondContact NE1-OE2 3Å; W110-E147 VanDerWaalsContact NE1-OE2 3.16Å; W110-Y310 HydrophobicContact CH2-CD1 4.32Å; W110-Y310 AromaticContact CH2-CE1 3.84Å; W110-Y310 HydrophobicContact CH2-CE1 3.84Å; W110-Y310 HydrophobicContact CZ2-CE1 4.12Å |
| 111 | R | 94 | Very high | 94.6 | Very high | 72 Ų | 72 | 32.3 Ų | 32.3 | 27% | 0.272 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 128.8 | 176.8 | -171.7 | 174.6 | -172.8 | 174.3 | 5.3 | 109 | G113 Q114 V116 L144 | R111-G113 PolarHBondContact O-N 2.92Å; R111-G113 VanDerWaalsContact O-N 3.15Å; R111-Q114 PolarHBondContact N-O 3.18Å; R111-Q114 PolarHBondContact O-N 2.81Å; R111-V116 HydrophobicContact CB-CG1 3.97Å; R111-V116 HydrophobicContact CB-CG2 4.14Å; R111-L144 HydrophobicContact CB-CD2 3.75Å; R111-L144 HydrophobicContact CG-CD2 3.65Å |
| 112 | N | 91.1 | Very high | 94 | Very high | 149 Ų | 149 | 36 Ų | 36 | 80% | 0.797 | 18% | 0.181 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.9 | 35.9 | -178.3 | -56.5 | -25.2 | 0 | 0 | 0 | 113.4 | Q114 | N112-Q114 VanDerWaalsContact C-N 3.3Å; N112-Q114 PolarHBondContact O-N 2.96Å |
| 113 | G | 90.8 | Very high | 93.1 | Very high | 22 Ų | 22 | 34.2 Ų | 34.2 | 23% | 0.227 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.9 | 11.9 | -180 | 0 | 0 | 0 | 0 | 0 | 116.3 | R111 | R111-G113 PolarHBondContact O-N 2.92Å; R111-G113 VanDerWaalsContact O-N 3.15Å |
| 114 | Q | 93.7 | Very high | 92.7 | Very high | 107 Ų | 107 | 38.2 Ų | 38.2 | 50% | 0.5 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 143.5 | 173.9 | -61.3 | -59.8 | -45.7 | 0 | 0 | 110.4 | W110 R111 N112 | W110-Q114 CarbonylContact C-O 3.47Å; W110-Q114 VanDerWaalsContact CA-O 3.28Å; W110-Q114 WeakPolarHBondContact CA-O 3.43Å; W110-Q114 VanDerWaalsContact CE3-C 3.48Å; R111-Q114 PolarHBondContact N-O 3.18Å; R111-Q114 PolarHBondContact O-N 2.81Å; N112-Q114 VanDerWaalsContact C-N 3.3Å; N112-Q114 PolarHBondContact O-N 2.96Å |
| 115 | P | 95.8 | Very high | 92.6 | Very high | 15 Ų | 15 | 36.8 Ų | 36.8 | 10% | 0.097 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 142.9 | 169.6 | 30.8 | -32.7 | 0 | 0 | 0 | 108.6 | M108 W110 V281 Y310 | M108-P115 HydrophobicContact CE-CB 3.62Å; M108-P115 HydrophobicContact CG-CB 4.19Å; M108-P115 HydrophobicContact SD-CB 3.62Å; W110-P115 HydrophobicContact CD2-CB 4.36Å; W110-P115 HydrophobicContact CE3-CB 4.27Å; W110-P115 HydrophobicContact CH2-CB 4.33Å; W110-P115 HydrophobicContact CH2-CG 4.41Å; W110-P115 HydrophobicContact CZ2-CB 4.43Å; W110-P115 HydrophobicContact CZ3-CB 4.26Å; W110-P115 HydrophobicContact CZ3-CG 4.24Å; P115-V281 HydrophobicContact CB-CG2 4.45Å; P115-V281 WeakPolarHBondContact O-CG2 3.28Å; P115-Y310 HydrophobicContact CG-CD1 4.16Å |
| 116 | V | 95.3 | Very high | 92.6 | Very high | 30 Ų | 30 | 38.1 Ų | 38.1 | 18% | 0.182 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | -27.8 | -177.9 | -66 | 0 | 0 | 0 | 0 | 114.2 | V109 R111 Y128 | V109-V116 HydrophobicContact CB-CG2 3.83Å; V109-V116 HydrophobicContact CG1-CG2 3.63Å; V109-V116 WeakPolarHBondContact O-CG2 3.19Å; V109-V116 PolarHBondContact O-N 2.69Å; R111-V116 HydrophobicContact CB-CG1 3.97Å; R111-V116 HydrophobicContact CB-CG2 4.14Å; V116-Y128 HydrophobicContact CB-CE2 4.19Å; V116-Y128 HydrophobicContact CG2-CE1 4.48Å; V116-Y128 HydrophobicContact CG2-CE2 3.68Å |
| 117 | Q | 95.6 | Very high | 92.5 | Very high | 30 Ų | 30 | 39.2 Ų | 39.2 | 14% | 0.14 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 138.6 | 176.7 | -153 | -174.5 | -79.9 | 0 | 0 | 112 | V109 S127 Y128 T282 | V109-Q117 PolarHBondContact N-O 3.39Å; Q117-S127 PolarHBondContact NE2-O 2.81Å; Q117-Y128 HydrophobicContact CB-CD2 3.77Å; Q117-Y128 HydrophobicContact CB-CE2 4.19Å; Q117-Y128 HydrophobicContact CG-CD2 4.42Å; Q117-T282 HydrophobicContact CG-CG2 4.26Å; Q117-T282 WeakPolarHBondContact CG-OG1 3.31Å |
| 118 | G | 95.6 | Very high | 92.4 | Very high | 5 Ų | 5 | 40.3 Ų | 40.3 | 5% | 0.052 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 147.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G107 R278 T282 | G107-G118 CarbonylContact O-C 3.58Å; G107-G118 WeakPolarHBondContact O-CA 3.19Å; G118-R278 PolarHBondContact N-O 3.49Å; G118-T282 PolarHBondContact N-OG1 3.37Å |
| 119 | L | 95 | Very high | 92.3 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 120.3 | 175.9 | -66.1 | 174.6 | 0 | 0 | 0 | 109.9 | W101 G107 V109 K125 | W101-L119 HydrophobicContact CB-CD1 3.87Å; W101-L119 HydrophobicContact CG-CD1 3.92Å; G107-L119 WeakPolarHBondContact CA-O 3.48Å; G107-L119 PolarHBondContact N-O 3.3Å; G107-L119 PolarHBondContact O-N 2.94Å; V109-L119 HydrophobicContact CG2-CD1 3.29Å; V109-L119 HydrophobicContact CG2-CG 3.77Å; L119-K125 CarbonylContact C-O 3.56Å; L119-K125 VanDerWaalsContact CA-O 3.22Å; L119-K125 WeakPolarHBondContact CA-O 3.46Å; L119-K125 WeakPolarHBondContact CD2-O 3.44Å |
| 120 | T | 91.7 | Very high | 92 | Very high | 9 Ų | 9 | 42.5 Ų | 42.5 | 6% | 0.055 | 21% | 0.214 | C | C | . | . | B | Isolated β-bridge | trans | -151.9 | 134.7 | -179.9 | -53.3 | 0 | 0 | 0 | 0 | 108.9 | E106 E122 G123 E124 K125 L153 | E106-T120 HydrophobicContact CG-CG2 4.14Å; T120-E122 HydrophobicContact CG2-CB 4.36Å; T120-E122 WeakPolarHBondContact CG2-OE2 3.44Å; T120-G123 PolarHBondContact O-N 3.31Å; T120-E124 PolarHBondContact O-N 3.05Å; T120-K125 PolarHBondContact N-O 3.43Å; T120-K125 CarbonylContact O-C 3.13Å; T120-K125 PolarHBondContact O-N 3.1Å; T120-L153 HydrophobicContact CG2-CB 4.12Å; T120-L153 HydrophobicContact CG2-CD1 4.48Å |
| 121 | K | 89.2 | Confident | 91.6 | Very high | 121 Ų | 121 | 42.2 Ų | 42.2 | 53% | 0.526 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -47.2 | -178.6 | -175 | -178.5 | 178 | -179.3 | 0 | 111.6 | G123 E124 T126 | K121-G123 VanDerWaalsContact C-N 3.25Å; K121-G123 PolarHBondContact O-N 2.97Å; K121-E124 PolarHBondContact O-N 3.45Å; K121-T126 HydrophobicContact CB-CG2 4.49Å |
| 122 | E | 83.5 | Confident | 91.1 | Very high | 80 Ų | 80 | 43.1 Ų | 43.1 | 37% | 0.374 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -35.3 | 178.6 | -65.5 | 76.2 | -169.6 | 0 | 0 | 111.9 | T120 E124 L153 F461 | T120-E122 HydrophobicContact CG2-CB 4.36Å; T120-E122 WeakPolarHBondContact CG2-OE2 3.44Å; E122-E124 PolarHBondContact O-N 3.09Å; E122-L153 HydrophobicContact CB-CB 4Å; E122-L153 HydrophobicContact CB-CD2 3.94Å; E122-L153 HydrophobicContact CG-CB 4.38Å; E122-F461 VanDerWaalsContact O-CE1 3.24Å; E122-F461 WeakPolarHBondContact O-CE1 3.45Å |
| 123 | G | 76.9 | Confident | 91 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | 10.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T120 K121 K125 F461 | T120-G123 PolarHBondContact O-N 3.31Å; K121-G123 VanDerWaalsContact C-N 3.25Å; K121-G123 PolarHBondContact O-N 2.97Å; G123-K125 WeakPolarHBondContact O-CG 3.36Å; G123-K125 PolarHBondContact O-N 3.42Å; G123-K125 VanDerWaalsContact O-N 3.17Å; G123-F461 VanDerWaalsContact C-CE2 3.44Å; G123-F461 WeakPolarHBondContact O-CD2 3.26Å; G123-F461 WeakPolarHBondContact O-CE2 3.26Å |
| 124 | E | 87.6 | Confident | 90.6 | Very high | 89 Ų | 89 | 38.2 Ų | 38.2 | 42% | 0.416 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54.6 | 33.6 | -179.9 | -62.4 | 170.9 | -154.4 | 0 | 0 | 113.1 | T120 K121 E122 K433 F461 | T120-E124 PolarHBondContact O-N 3.05Å; K121-E124 PolarHBondContact O-N 3.45Å; E122-E124 PolarHBondContact O-N 3.09Å; E124-K433 IonicContact OE1-NZ 3.51Å; E124-K433 PolarHBondContact OE1-NZ 3.48Å; E124-F461 HydrophobicContact CB-CE2 4.26Å; E124-F461 HydrophobicContact CB-CZ 4Å; E124-F461 HydrophobicContact CG-CZ 3.81Å |
| 125 | K | 91.6 | Very high | 90.1 | Very high | 17 Ų | 17 | 39.4 Ų | 39.4 | 7% | 0.074 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -119.1 | 72.2 | -178.8 | -72.5 | 171.2 | -170.1 | -166.9 | 0 | 110.7 | L119 T120 G123 T282 G466 P468 T469 | L119-K125 CarbonylContact C-O 3.56Å; L119-K125 VanDerWaalsContact CA-O 3.22Å; L119-K125 WeakPolarHBondContact CA-O 3.46Å; L119-K125 WeakPolarHBondContact CD2-O 3.44Å; T120-K125 PolarHBondContact N-O 3.43Å; T120-K125 CarbonylContact O-C 3.13Å; T120-K125 PolarHBondContact O-N 3.1Å; G123-K125 WeakPolarHBondContact O-CG 3.36Å; G123-K125 PolarHBondContact O-N 3.42Å; G123-K125 VanDerWaalsContact O-N 3.17Å; K125-T282 HydrophobicContact CD-CG2 4.32Å; K125-G466 PolarHBondContact NZ-O 2.9Å; K125-P468 PolarHBondContact NZ-O 3.04Å; K125-T469 HydrophobicContact CG-CG2 4.41Å |
| 126 | T | 92.7 | Very high | 89 | Confident | 30 Ų | 30 | 43.5 Ų | 43.5 | 18% | 0.184 | 22% | 0.222 | C | C | . | . | trans | -103.4 | 4.8 | -175.8 | 57.2 | 0 | 0 | 0 | 0 | 114.1 | L100 W101 E102 K121 | L100-T126 WeakPolarHBondContact CD1-O 3.4Å; W101-T126 CarbonylContact C-O 3.53Å; W101-T126 PolarHBondContact N-O 2.94Å; W101-T126 CarbonylContact O-C 3.47Å; W101-T126 WeakPolarHBondContact O-CA 3.29Å; E102-T126 HydrophobicContact CG-CG2 4.09Å; K121-T126 HydrophobicContact CB-CG2 4.49Å | ||
| 127 | S | 94 | Very high | 87.5 | Confident | 24 Ų | 24 | 51.1 Ų | 51.1 | 17% | 0.168 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 153.2 | 175.3 | 71.9 | 0 | 0 | 0 | 0 | 113.3 | H98 L99 Q117 | H98-S127 PolarHBondContact ND1-OG 3.02Å; H98-S127 VanDerWaalsContact ND1-OG 3.07Å; L99-S127 CarbonylContact O-C 3.58Å; L99-S127 WeakPolarHBondContact O-CA 3.48Å; L99-S127 WeakPolarHBondContact O-CB 3.34Å; Q117-S127 PolarHBondContact NE2-O 2.81Å |
| 128 | Y | 95.1 | Very high | 86.2 | Confident | 22 Ų | 22 | 52.7 Ų | 52.7 | 9% | 0.086 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 130.7 | 176.2 | 171.1 | -110.9 | 0 | 0 | 0 | 110.1 | H98 L99 V109 V116 Q117 L130 L144 | H98-Y128 CarbonylContact C-O 3.54Å; H98-Y128 VanDerWaalsContact CA-O 3.27Å; H98-Y128 WeakPolarHBondContact CA-O 2.94Å; L99-Y128 PolarHBondContact N-O 3.23Å; L99-Y128 PolarHBondContact O-N 2.93Å; V109-Y128 HydrophobicContact CG1-CD1 4.07Å; V109-Y128 HydrophobicContact CG1-CE1 4.16Å; V109-Y128 HydrophobicContact CG1-CG 4.29Å; V109-Y128 HydrophobicContact CG2-CG 4.37Å; V116-Y128 HydrophobicContact CB-CE2 4.19Å; V116-Y128 HydrophobicContact CG2-CE1 4.48Å; V116-Y128 HydrophobicContact CG2-CE2 3.68Å; Q117-Y128 HydrophobicContact CB-CD2 3.77Å; Q117-Y128 HydrophobicContact CB-CE2 4.19Å; Q117-Y128 HydrophobicContact CG-CD2 4.42Å; Y128-L130 HydrophobicContact CD1-CD2 4.1Å; Y128-L130 HydrophobicContact CE1-CD2 4.06Å; Y128-L130 PolarHBondContact O-N 3.08Å; Y128-L144 HydrophobicContact CD1-CD1 4.17Å; Y128-L144 HydrophobicContact CE1-CD1 4.12Å |
| 129 | I | 93.9 | Very high | 84.6 | Confident | 37 Ų | 37 | 56.6 Ų | 56.6 | 19% | 0.19 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.2 | 112.9 | -178.5 | -50.8 | 177.9 | 0 | 0 | 0 | 108.8 | D132 | I129-D132 WeakPolarHBondContact CG2-OD1 3.4Å |
| 130 | L | 91.6 | Very high | 83.5 | Confident | 12 Ų | 12 | 59.9 Ų | 59.9 | 6% | 0.063 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | -42.8 | 176 | -71.1 | 169.3 | 0 | 0 | 0 | 110.9 | L86 V97 L99 Y128 L144 L178 | L86-L130 HydrophobicContact CD1-CD1 4.01Å; L86-L130 HydrophobicContact CD2-CD1 3.98Å; L86-L130 HydrophobicContact CD2-CD2 4.06Å; V97-L130 HydrophobicContact CG1-CD1 4.3Å; V97-L130 WeakPolarHBondContact O-CB 3.46Å; V97-L130 PolarHBondContact O-N 2.75Å; L99-L130 HydrophobicContact CB-CD1 4.14Å; L99-L130 HydrophobicContact CB-CG 4.23Å; Y128-L130 HydrophobicContact CD1-CD2 4.1Å; Y128-L130 HydrophobicContact CE1-CD2 4.06Å; Y128-L130 PolarHBondContact O-N 3.08Å; L130-L144 HydrophobicContact CD2-CD1 3.61Å; L130-L178 HydrophobicContact CD1-CD2 3.36Å |
| 131 | C | 88.4 | Confident | 83.1 | Confident | 14 Ų | 14 | 62.8 Ų | 62.8 | 10% | 0.095 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 132.9 | 174.4 | -176.7 | 0 | 0 | 0 | 0 | 110.8 | V97 C133 E138 | V97-C131 PolarHBondContact N-O 2.99Å; V97-C131 PolarHBondContact O-N 3.43Å; C131-C133 VanDerWaalsContact C-N 3.26Å; C131-C133 PolarHBondContact O-N 3.24Å; C131-C133 PolarHBondContact SG-N 3.37Å; C131-C133 PolarHBondContact SG-O 3.13Å; C131-E138 PolarHBondContact SG-OE2 3.06Å |
| 132 | D | 85.3 | Confident | 83.1 | Confident | 90 Ų | 90 | 57.8 Ų | 57.8 | 48% | 0.481 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -69.3 | -24.3 | 175 | -57.2 | -65 | 0 | 0 | 0 | 111.8 | E96 I129 K289 | E96-D132 WeakPolarHBondContact CB-O 3.43Å; I129-D132 WeakPolarHBondContact CG2-OD1 3.4Å; D132-K289 IonicContact OD1-NZ 4Å; D132-K289 PolarHBondContact OD1-NZ 3.25Å; D132-K289 IonicContact OD2-NZ 3.53Å |
| 133 | C | 87.2 | Confident | 83.6 | Confident | 58 Ų | 58 | 56.8 Ų | 56.8 | 39% | 0.392 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -163.1 | 106.9 | 175.2 | -180 | 0 | 0 | 0 | 0 | 111.2 | K95 C131 K135 | K95-C133 WeakPolarHBondContact O-CA 3.41Å; C131-C133 VanDerWaalsContact C-N 3.26Å; C131-C133 PolarHBondContact O-N 3.24Å; C131-C133 PolarHBondContact SG-N 3.37Å; C131-C133 PolarHBondContact SG-O 3.13Å; C133-K135 PolarHBondContact O-N 2.94Å |
| 134 | L | 82.8 | Confident | 84.5 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.052 | 30% | 0.302 | C | S | . | . | trans | -61.9 | 116.7 | -174.2 | -174.5 | 70 | 0 | 0 | 0 | 112.7 | I88 W92 G94 K95 | I88-L134 HydrophobicContact CD1-CD1 4.16Å; I88-L134 HydrophobicContact CG2-CD1 4.25Å; I88-L134 HydrophobicContact CG2-CD2 3.64Å; W92-L134 HydrophobicContact CB-CD2 4.45Å; G94-L134 PolarHBondContact N-O 3.01Å; K95-L134 PolarHBondContact O-N 3.43Å | ||
| 135 | K | 83.4 | Confident | 85 | Confident | 132 Ų | 132 | 54.1 Ų | 54.1 | 57% | 0.574 | 29% | 0.288 | S | S | * | . | trans | -100.2 | 162.5 | 178.6 | -60.6 | 179.1 | -173.2 | 170.2 | 0 | 112.6 | C133 E137 E138 | C133-K135 PolarHBondContact O-N 2.94Å; K135-E137 VanDerWaalsContact C-N 3.26Å; K135-E137 PolarHBondContact O-N 2.85Å; K135-E138 HydrophobicContact CB-CG 4.24Å; K135-E138 PolarHBondContact O-N 3.36Å | ||
| 136 | D | 72.4 | Confident | 85.3 | Confident | 101 Ų | 101 | 53.3 Ų | 53.3 | 54% | 0.54 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -27.6 | -179.3 | -77.3 | -21.1 | 0 | 0 | 0 | 113.9 | R93 | R93-D136 IonicContact CZ-OD1 2.67Å; R93-D136 IonicContact CZ-OD2 3.84Å; R93-D136 IonicContact NE-OD1 2.83Å; R93-D136 PolarHBondContact NE-OD1 3.11Å; R93-D136 IonicContact NE-OD2 2.68Å; R93-D136 IonicContact NH1-OD1 3.8Å; R93-D136 PolarHBondContact NH1-OD1 2.84Å; R93-D136 IonicContact NH1-OD2 2.83Å; R93-D136 PolarHBondContact NH1-OD2 2.75Å; R93-D136 IonicContact NH2-OD1 3.18Å; R93-D136 IonicContact NH2-OD2 3.65Å; R93-D136 PolarHBondContact NH2-OD2 3.25Å |
| 137 | E | 64.9 | Low | 85.6 | Confident | 191 Ų | 191 | 52.2 Ų | 52.2 | 89% | 0.893 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -5.8 | -173.3 | -64.6 | 167.1 | -175 | 0 | 0 | 113.3 | K135 | K135-E137 VanDerWaalsContact C-N 3.26Å; K135-E137 PolarHBondContact O-N 2.85Å |
| 138 | E | 66.8 | Low | 85.8 | Confident | 63 Ų | 63 | 51.1 Ų | 51.1 | 29% | 0.294 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -81.4 | 143.4 | -177.6 | -73.6 | 178.4 | 176.4 | 0 | 0 | 111.9 | C131 K135 Q140 | C131-E138 PolarHBondContact SG-OE2 3.06Å; K135-E138 HydrophobicContact CB-CG 4.24Å; K135-E138 PolarHBondContact O-N 3.36Å; E138-Q140 PolarHBondContact O-N 3.46Å; E138-Q140 VanDerWaalsContact O-N 3.1Å |
| 139 | P | 62 | Low | 85.9 | Confident | 86 Ų | 86 | 50 Ų | 50 | 56% | 0.558 | 27% | 0.266 | S | S | * | . | trans | -62.1 | 119 | -179.7 | 24.5 | -31.9 | 0 | 0 | 0 | 110 | S141 | P139-S141 PolarHBondContact O-N 3.18Š| ||
| 140 | Q | 72.3 | Confident | 86 | Confident | 72 Ų | 72 | 48.3 Ų | 48.3 | 34% | 0.336 | 26% | 0.257 | S | S | . | . | S | Bend | trans | -71.1 | -20.6 | -179.9 | -63.9 | -169.7 | -6 | 0 | 0 | 112.4 | T87 I88 E138 | T87-Q140 CarbonylContact C-O 3.59Å; T87-Q140 WeakPolarHBondContact CA-O 3.33Å; I88-Q140 PolarHBondContact N-O 2.82Å; E138-Q140 PolarHBondContact O-N 3.46Å; E138-Q140 VanDerWaalsContact O-N 3.1Å |
| 141 | S | 83.4 | Confident | 86.2 | Confident | 69 Ų | 69 | 47.7 Ų | 47.7 | 48% | 0.483 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 128.5 | 175.3 | -174 | 0 | 0 | 0 | 0 | 110.2 | L86 P139 | L86-S141 WeakPolarHBondContact O-CA 3.19Å; P139-S141 PolarHBondContact O-N 3.18Å |
| 142 | V | 89.2 | Confident | 86.5 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 10% | 0.097 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 139 | 179.9 | -176.2 | 0 | 0 | 0 | 0 | 108.7 | L86 L144 | L86-V142 HydrophobicContact CD1-CB 3.86Å; L86-V142 HydrophobicContact CD1-CG2 4.27Å; L86-V142 HydrophobicContact CG-CB 4.13Å; L86-V142 PolarHBondContact N-O 3.06Å; L86-V142 PolarHBondContact O-N 3.41Å; V142-L144 HydrophobicContact CG1-CD2 3.92Å; V142-L144 HydrophobicContact CG1-CG 4.05Å |
| 143 | T | 93.9 | Very high | 86.8 | Confident | 60 Ų | 60 | 43.1 Ų | 43.1 | 37% | 0.368 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 126.9 | 167.3 | -55.7 | 0 | 0 | 0 | 0 | 109.1 | K83 V84 Y145 | K83-T143 HydrophobicContact CG-CG2 4.02Å; V84-T143 CarbonylContact O-C 3.5Å; V84-T143 WeakPolarHBondContact O-CA 3.46Å; T143-Y145 HydrophobicContact CG2-CE2 4.25Å |
| 144 | L | 96.6 | Very high | 87 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 159.8 | 174.3 | -61.8 | 179.9 | 0 | 0 | 0 | 110 | V84 L86 L99 V109 R111 Y128 L130 V142 | V84-L144 PolarHBondContact N-O 3.3Å; V84-L144 PolarHBondContact O-N 2.8Å; L86-L144 HydrophobicContact CD2-CD1 4.14Å; L99-L144 HydrophobicContact CD2-CD1 4.05Å; V109-L144 HydrophobicContact CG1-CD1 4.37Å; R111-L144 HydrophobicContact CB-CD2 3.75Å; R111-L144 HydrophobicContact CG-CD2 3.65Å; Y128-L144 HydrophobicContact CD1-CD1 4.17Å; Y128-L144 HydrophobicContact CE1-CD1 4.12Å; L130-L144 HydrophobicContact CD2-CD1 3.61Å; V142-L144 HydrophobicContact CG1-CD2 3.92Å; V142-L144 HydrophobicContact CG1-CG 4.05Å |
| 145 | Y | 98.1 | Very high | 87.5 | Confident | 33 Ų | 33 | 42.9 Ų | 42.9 | 13% | 0.129 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 143.3 | 166.1 | -64 | -105.7 | 0 | 0 | 0 | 109.6 | F56 F64 F82 K83 W110 T143 | F56-Y145 HydrophobicContact CE2-CD1 4.41Å; F56-Y145 AromaticContact CE2-CD2 3.7Å; F56-Y145 HydrophobicContact CE2-CD2 3.7Å; F56-Y145 HydrophobicContact CE2-CE2 4.28Å; F56-Y145 AromaticContact CE2-CG 3.78Å; F56-Y145 HydrophobicContact CE2-CG 3.78Å; F56-Y145 HydrophobicContact CZ-CD2 4.01Å; F56-Y145 HydrophobicContact CZ-CE2 4.18Å; F56-Y145 HydrophobicContact CZ-CG 4.48Å; F64-Y145 HydrophobicContact CE1-CD1 4.27Å; F64-Y145 HydrophobicContact CE1-CE1 4.35Å; F64-Y145 HydrophobicContact CE2-CE1 4.07Å; F64-Y145 AromaticContact CZ-CD1 3.95Å; F64-Y145 HydrophobicContact CZ-CD1 3.95Å; F64-Y145 AromaticContact CZ-CE1 3.77Å; F64-Y145 HydrophobicContact CZ-CE1 3.77Å; F82-Y145 CarbonylContact O-C 3.49Å; F82-Y145 WeakPolarHBondContact O-CA 3.26Å; K83-Y145 HydrophobicContact CB-CD1 3.98Å; K83-Y145 HydrophobicContact CB-CE1 3.8Å; K83-Y145 HydrophobicContact CD-CE1 4.03Å; K83-Y145 HydrophobicContact CG-CD1 4.29Å; K83-Y145 HydrophobicContact CG-CE1 3.81Å; W110-Y145 PolarHBondContact N-O 3.25Å; W110-Y145 PolarHBondContact O-N 3.49Å; T143-Y145 HydrophobicContact CG2-CE2 4.25Å |
| 146 | V | 98.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 114.3 | 173.1 | -171.6 | 0 | 0 | 0 | 0 | 108.1 | F82 V84 W101 M108 V148 | F82-V146 HydrophobicContact CB-CB 4.31Å; F82-V146 PolarHBondContact N-O 2.84Å; F82-V146 PolarHBondContact O-N 3.15Å; V84-V146 HydrophobicContact CG2-CG2 4.47Å; W101-V146 HydrophobicContact CD2-CG1 4.29Å; W101-V146 HydrophobicContact CD2-CG2 4.44Å; W101-V146 HydrophobicContact CE3-CG2 4.18Å; W101-V146 HydrophobicContact CH2-CB 4.14Å; W101-V146 HydrophobicContact CH2-CG1 4.39Å; W101-V146 HydrophobicContact CH2-CG2 4.33Å; W101-V146 HydrophobicContact CZ2-CB 4.12Å; W101-V146 HydrophobicContact CZ2-CG1 3.87Å; W101-V146 HydrophobicContact CZ3-CB 4.44Å; W101-V146 HydrophobicContact CZ3-CG2 4.12Å; M108-V146 CarbonylContact O-C 3.55Å; M108-V146 WeakPolarHBondContact O-CA 3.34Å; V146-V148 HydrophobicContact CG1-CG2 4Å |
| 147 | E | 98.1 | Very high | 88.8 | Confident | 7 Ų | 7 | 32.7 Ų | 32.7 | 3% | 0.033 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 112.1 | 173.3 | 179.9 | -169 | 169.3 | 0 | 0 | 108.6 | T79 W81 G107 M108 W110 R274 | T79-E147 HydrophobicContact CG2-CG 3.63Å; W81-E147 HydrophobicContact CD2-CB 4.03Å; W81-E147 HydrophobicContact CD2-CG 4.15Å; W81-E147 HydrophobicContact CE3-CB 3.85Å; W81-E147 HydrophobicContact CE3-CG 4.44Å; W81-E147 HydrophobicContact CH2-CB 3.71Å; W81-E147 HydrophobicContact CH2-CG 3.95Å; W81-E147 WeakPolarHBondContact CH2-OE2 3.17Å; W81-E147 HydrophobicContact CZ2-CB 3.9Å; W81-E147 HydrophobicContact CZ2-CG 3.61Å; W81-E147 HydrophobicContact CZ3-CB 3.68Å; W81-E147 HydrophobicContact CZ3-CG 4.34Å; G107-E147 CarbonylContact C-O 3.36Å; G107-E147 VanDerWaalsContact CA-O 3.23Å; G107-E147 WeakPolarHBondContact CA-O 3.41Å; M108-E147 HydrophobicContact CB-CB 4.28Å; M108-E147 PolarHBondContact N-O 3.47Å; M108-E147 PolarHBondContact O-N 3.24Å; W110-E147 PolarHBondContact NE1-OE2 3Å; W110-E147 VanDerWaalsContact NE1-OE2 3.16Å; E147-R274 WeakPolarHBondContact OE1-CD 3.23Å; E147-R274 IonicContact OE1-CZ 3.9Å; E147-R274 IonicContact OE1-NE 3.65Å; E147-R274 IonicContact OE1-NH1 3.02Å; E147-R274 PolarHBondContact OE1-NH1 3.08Å |
| 148 | V | 97.9 | Very high | 90 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 117.2 | 177.4 | -177.6 | 0 | 0 | 0 | 0 | 109.6 | F73 C80 F82 W101 E106 V146 | F73-V148 HydrophobicContact CE2-CG1 4.08Å; F73-V148 HydrophobicContact CZ-CG1 4.1Å; C80-V148 PolarHBondContact N-O 3.01Å; C80-V148 PolarHBondContact O-N 3.45Å; F82-V148 HydrophobicContact CD2-CB 4.49Å; F82-V148 HydrophobicContact CD2-CG2 3.82Å; F82-V148 HydrophobicContact CE2-CB 4.11Å; F82-V148 HydrophobicContact CE2-CG2 3.73Å; W101-V148 HydrophobicContact CZ2-CG2 3.85Å; E106-V148 CarbonylContact O-C 3.49Å; E106-V148 WeakPolarHBondContact O-CA 3.45Å; V146-V148 HydrophobicContact CG1-CG2 4Å |
| 149 | A | 97.6 | Very high | 91 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 130.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | G105 E106 N151 | G105-A149 VanDerWaalsContact CA-O 3.32Å; G105-A149 WeakPolarHBondContact CA-O 3.45Å; E106-A149 PolarHBondContact N-O 3.46Å; E106-A149 PolarHBondContact O-N 2.81Å; A149-N151 WeakPolarHBondContact CB-OD1 3.36Å; A149-N151 PolarHBondContact O-N 3.31Å |
| 150 | C | 97.3 | Very high | 92.2 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -78.8 | 63.7 | -179.8 | -64.1 | 0 | 0 | 0 | 0 | 110.8 | P75 T76 W77 W78 F171 | P75-C150 VanDerWaalsContact O-CB 3.26Å; P75-C150 WeakPolarHBondContact O-CB 3.48Å; T76-C150 CarbonylContact C-O 3.58Å; T76-C150 VanDerWaalsContact CA-O 3.29Å; T76-C150 WeakPolarHBondContact CA-O 3.31Å; W77-C150 PolarHBondContact N-O 3.45Å; W78-C150 HydrophobicContact CB-CB 4.5Å; W78-C150 WeakPolarHBondContact O-CB 3.46Å; W78-C150 PolarHBondContact O-N 2.98Å; W78-C150 PolarHBondContact O-SG 3.21Å; C150-F171 VanDerWaalsContact C-CE1 3.49Å; C150-F171 HydrophobicContact CB-CD2 3.53Å; C150-F171 HydrophobicContact CB-CE2 3.59Å; C150-F171 HydrophobicContact CB-CG 4.07Å; C150-F171 HydrophobicContact CB-CZ 4.13Å; C150-F171 WeakPolarHBondContact O-CE2 3.38Å; C150-F171 WeakPolarHBondContact O-CZ 3.06Å |
| 151 | N | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -159.5 | 153 | 173.3 | 59.4 | -82.8 | 0 | 0 | 0 | 108.5 | W77 G105 E106 A149 | W77-N151 HydrophobicContact CE3-CB 3.96Å; W77-N151 HydrophobicContact CH2-CB 4.23Å; W77-N151 HydrophobicContact CZ3-CB 3.52Å; G105-N151 WeakPolarHBondContact CA-O 3.34Å; E106-N151 PolarHBondContact N-O 3.46Å; E106-N151 VanDerWaalsContact N-O 3.15Å; E106-N151 PolarHBondContact OE2-ND2 3.07Å; A149-N151 WeakPolarHBondContact CB-OD1 3.36Å; A149-N151 PolarHBondContact O-N 3.31Å |
| 152 | G | 93.4 | Very high | 93.5 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 6% | 0.062 | 18% | 0.178 | C | C | . | . | B | Isolated β-bridge | trans | -79.2 | -178.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | F154 G155 | G152-F154 PolarHBondContact O-N 2.85Å; G152-G155 PolarHBondContact N-O 3.19Å; G152-G155 PolarHBondContact O-N 3.4Å; G152-G155 VanDerWaalsContact O-N 3.16Å |
| 153 | L | 91.2 | Very high | 93.7 | Very high | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -42.7 | 175.8 | -173.3 | 61.4 | 0 | 0 | 0 | 111.8 | E106 T120 E122 K275 G464 | E106-L153 WeakPolarHBondContact OE1-CA 3.35Å; E106-L153 VanDerWaalsContact OE1-CD1 3.27Å; E106-L153 WeakPolarHBondContact OE1-CD1 3.31Å; T120-L153 HydrophobicContact CG2-CB 4.12Å; T120-L153 HydrophobicContact CG2-CD1 4.48Å; E122-L153 HydrophobicContact CB-CB 4Å; E122-L153 HydrophobicContact CB-CD2 3.94Å; E122-L153 HydrophobicContact CG-CB 4.38Å; L153-K275 PolarHBondContact O-NZ 3.27Å; L153-G464 WeakPolarHBondContact O-CA 3.49Å |
| 154 | F | 92 | Very high | 93.7 | Very high | 58 Ų | 58 | 29 Ų | 29 | 25% | 0.254 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 35 | -179.3 | -50 | -75.5 | 0 | 0 | 0 | 112.9 | G152 M161 W265 L266 D463 | G152-F154 PolarHBondContact O-N 2.85Å; F154-M161 HydrophobicContact CB-CG 3.82Å; F154-M161 HydrophobicContact CB-SD 3.93Å; F154-M161 HydrophobicContact CD1-SD 4.25Å; F154-M161 HydrophobicContact CD2-SD 4.34Å; F154-M161 HydrophobicContact CG-CG 4.45Å; F154-M161 HydrophobicContact CG-SD 3.92Å; F154-W265 HydrophobicContact CD1-CZ3 4.26Å; F154-L266 HydrophobicContact CB-CD1 4.47Å; F154-L266 WeakPolarHBondContact O-CD1 3.5Å; F154-D463 HydrophobicContact CD1-CB 4.37Å; F154-D463 HydrophobicContact CE1-CB 4.04Å |
| 155 | G | 92.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 4% | 0.041 | 18% | 0.18 | C | C | . | . | B | Isolated β-bridge | trans | 80.7 | -141.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114 | G152 L266 | G152-G155 PolarHBondContact N-O 3.19Å; G152-G155 PolarHBondContact O-N 3.4Å; G152-G155 VanDerWaalsContact O-N 3.16Å; G155-L266 WeakPolarHBondContact CA-O 3.43Å |
| 156 | A | 93.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 30.8 Ų | 30.8 | 2% | 0.017 | 18% | 0.184 | C | C | . | . | trans | -139.4 | 30.6 | -168 | 0 | 0 | 0 | 0 | 0 | 114.7 | T76 W77 P165 D166 | T76-A156 HydrophobicContact CG2-CB 3.24Å; W77-A156 HydrophobicContact CH2-CB 4.21Å; W77-A156 HydrophobicContact CZ2-CB 4.05Å; A156-P165 HydrophobicContact CB-CB 4.39Å; A156-P165 CarbonylContact O-C 3.47Å; A156-P165 WeakPolarHBondContact O-CA 3.35Å; A156-D166 PolarHBondContact O-N 3.26Å | ||
| 157 | G | 91.3 | Very high | 93.2 | Very high | 18 Ų | 18 | 35 Ų | 35 | 19% | 0.186 | 21% | 0.212 | C | C | . | . | B | Isolated β-bridge | trans | -53.2 | 140.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G159 F160 A163 | G157-G159 PolarHBondContact O-N 2.99Å; G157-F160 CarbonylContact C-O 3.57Å; G157-A163 VanDerWaalsContact CA-O 3.31Å; G157-A163 WeakPolarHBondContact CA-O 3.41Å |
| 158 | Q | 89 | Confident | 93.1 | Very high | 127 Ų | 127 | 42.7 Ų | 42.7 | 59% | 0.593 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -78.7 | 110.6 | 179.1 | -166.8 | 177.5 | 19.4 | 0 | 0 | 111.9 | F160 A163 A164 D166 | Q158-F160 PolarHBondContact O-N 3.31Å; Q158-A163 WeakPolarHBondContact O-CB 3.4Å; Q158-A164 PolarHBondContact N-O 3.37Å; Q158-D166 HydrophobicContact CB-CB 4.13Å; Q158-D166 HydrophobicContact CG-CB 4.28Å |
| 159 | G | 87.8 | Confident | 93 | Very high | 87 Ų | 87 | 46.4 Ų | 46.4 | 90% | 0.897 | 26% | 0.259 | S | S | * | . | S | Bend | trans | 81.5 | -41.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | G157 | G157-G159 PolarHBondContact O-N 2.99Š|
| 160 | F | 87.9 | Confident | 92.9 | Very high | 125 Ų | 125 | 50.4 Ų | 50.4 | 55% | 0.548 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -138 | 163.5 | 173.1 | 60.4 | -87.7 | 0 | 0 | 0 | 111.5 | G157 Q158 I162 A163 | G157-F160 CarbonylContact C-O 3.57Å; Q158-F160 PolarHBondContact O-N 3.31Å; F160-I162 HydrophobicContact CD2-CG1 3.84Å; F160-I162 HydrophobicContact CE2-CG1 3.65Å; F160-I162 PolarHBondContact O-N 2.85Å; F160-A163 HydrophobicContact CD1-CB 4.1Å; F160-A163 HydrophobicContact CD2-CB 3.96Å; F160-A163 HydrophobicContact CE1-CB 3.88Å; F160-A163 HydrophobicContact CE2-CB 3.73Å; F160-A163 HydrophobicContact CG-CB 4.14Å; F160-A163 HydrophobicContact CZ-CB 3.69Å; F160-A163 WeakPolarHBondContact O-CB 3.23Å; F160-A163 PolarHBondContact O-N 2.88Å |
| 161 | M | 89.3 | Confident | 92.9 | Very high | 86 Ų | 86 | 50.4 Ų | 50.4 | 42% | 0.424 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -53.6 | -166.1 | -176.5 | 177.8 | 76.5 | 0 | 0 | 113.8 | F154 A163 W265 L266 | F154-M161 HydrophobicContact CB-CG 3.82Å; F154-M161 HydrophobicContact CB-SD 3.93Å; F154-M161 HydrophobicContact CD1-SD 4.25Å; F154-M161 HydrophobicContact CD2-SD 4.34Å; F154-M161 HydrophobicContact CG-CG 4.45Å; F154-M161 HydrophobicContact CG-SD 3.92Å; M161-A163 VanDerWaalsContact C-N 3.27Å; M161-A163 PolarHBondContact O-N 2.96Å; M161-W265 HydrophobicContact CE-CH2 3.84Å; M161-W265 HydrophobicContact CE-CZ2 4.36Å; M161-W265 HydrophobicContact SD-CH2 4.43Å; M161-L266 HydrophobicContact CG-CD1 3.91Å |
| 162 | I | 93.1 | Very high | 93 | Very high | 14 Ų | 14 | 51.4 Ų | 51.4 | 7% | 0.072 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | 5.8 | -175 | 71.7 | 178.6 | 0 | 0 | 0 | 113.3 | F160 W265 W727 A883 P884 | F160-I162 HydrophobicContact CD2-CG1 3.84Å; F160-I162 HydrophobicContact CE2-CG1 3.65Å; F160-I162 PolarHBondContact O-N 2.85Å; I162-W265 HydrophobicContact CG2-CZ2 4.37Å; I162-W727 HydrophobicContact CD1-CB 4.46Å; I162-W727 HydrophobicContact CD1-CG 4.37Å; I162-A883 HydrophobicContact CG1-CB 4.46Å; I162-A883 WeakPolarHBondContact O-CB 3.41Å; I162-P884 WeakPolarHBondContact O-CA 3.48Å; I162-P884 VanDerWaalsContact O-CB 3.22Å; I162-P884 WeakPolarHBondContact O-CB 3.37Å |
| 163 | A | 94 | Very high | 93.2 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 7% | 0.066 | 28% | 0.283 | C | S | . | . | S | Bend | trans | -66.9 | 159.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G157 Q158 F160 M161 | G157-A163 VanDerWaalsContact CA-O 3.31Å; G157-A163 WeakPolarHBondContact CA-O 3.41Å; Q158-A163 WeakPolarHBondContact O-CB 3.4Å; F160-A163 HydrophobicContact CD1-CB 4.1Å; F160-A163 HydrophobicContact CD2-CB 3.96Å; F160-A163 HydrophobicContact CE1-CB 3.88Å; F160-A163 HydrophobicContact CE2-CB 3.73Å; F160-A163 HydrophobicContact CG-CB 4.14Å; F160-A163 HydrophobicContact CZ-CB 3.69Å; F160-A163 WeakPolarHBondContact O-CB 3.23Å; F160-A163 PolarHBondContact O-N 2.88Å; M161-A163 VanDerWaalsContact C-N 3.27Å; M161-A163 PolarHBondContact O-N 2.96Å |
| 164 | A | 94 | Very high | 93.5 | Very high | 31 Ų | 31 | 54 Ų | 54 | 26% | 0.256 | 30% | 0.296 | S | S | . | . | P | Polyproline II helix | trans | -52.1 | 141 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q158 P884 A886 | Q158-A164 PolarHBondContact N-O 3.37Å; A164-P884 VanDerWaalsContact CA-O 3.24Å; A164-P884 WeakPolarHBondContact CA-O 2.98Å; A164-A886 HydrophobicContact CB-CB 4.22Å |
| 165 | P | 94.6 | Very high | 93.6 | Very high | 29 Ų | 29 | 55.3 Ų | 55.3 | 19% | 0.188 | 30% | 0.302 | C | S | . | . | B | Isolated β-bridge | trans | -58.1 | 139.8 | -178.5 | -25.2 | 34 | 0 | 0 | 0 | 112.2 | W77 A156 P167 I585 | W77-P165 HydrophobicContact CZ2-CB 3.96Å; W77-P165 HydrophobicContact CZ2-CG 4.04Å; A156-P165 HydrophobicContact CB-CB 4.39Å; A156-P165 CarbonylContact O-C 3.47Å; A156-P165 WeakPolarHBondContact O-CA 3.35Å; P165-P167 WeakPolarHBondContact O-CD 3.48Å; P165-I585 HydrophobicContact CG-CB 4.01Å; P165-I585 HydrophobicContact CG-CD1 3.79Å; P165-I585 HydrophobicContact CG-CG2 3.68Å |
| 166 | D | 94.4 | Very high | 93.8 | Very high | 42 Ų | 42 | 55.2 Ų | 55.2 | 23% | 0.225 | 30% | 0.301 | C | S | . | . | trans | -81.3 | 107 | 168.8 | -179.6 | -6.2 | 0 | 0 | 0 | 109.3 | T76 A156 Q158 K168 R169 | T76-D166 VanDerWaalsContact CB-O 3.3Å; T76-D166 WeakPolarHBondContact CB-O 3.41Å; T76-D166 PolarHBondContact OG1-O 2.89Å; A156-D166 PolarHBondContact O-N 3.26Å; Q158-D166 HydrophobicContact CB-CB 4.13Å; Q158-D166 HydrophobicContact CG-CB 4.28Å; D166-K168 PolarHBondContact O-N 2.84Å; D166-K168 VanDerWaalsContact O-N 3.16Å; D166-K168 PolarHBondContact OD1-N 3.05Å; D166-R169 HydrophobicContact CB-CB 4.13Å; D166-R169 PolarHBondContact O-N 3.03Å; D166-R169 PolarHBondContact OD1-N 2.67Å | ||
| 167 | P | 93.6 | Very high | 94 | Very high | 88 Ų | 88 | 57.7 Ų | 57.7 | 57% | 0.571 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -8.4 | -177 | 31.4 | -36.3 | 0 | 0 | 0 | 113.3 | P75 P165 | P75-P167 WeakPolarHBondContact CB-O 3.28Å; P165-P167 WeakPolarHBondContact O-CD 3.48Å |
| 168 | K | 95.2 | Very high | 94.2 | Very high | 170 Ų | 170 | 56.8 Ų | 56.8 | 74% | 0.739 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.9 | 1.9 | -176.4 | -63.4 | 179.4 | -175.5 | 174.8 | 0 | 113.1 | D166 M170 | D166-K168 PolarHBondContact O-N 2.84Å; D166-K168 VanDerWaalsContact O-N 3.16Å; D166-K168 PolarHBondContact OD1-N 3.05Å; K168-M170 PolarHBondContact O-N 3.32Å |
| 169 | R | 95.6 | Very high | 94.6 | Very high | 78 Ų | 78 | 50.9 Ų | 50.9 | 29% | 0.294 | 28% | 0.276 | S | S | . | . | trans | -59.3 | 130.7 | 177.3 | 177.6 | 179.8 | 174.2 | -174.3 | -4.4 | 109.5 | P75 T76 D166 F171 | P75-R169 CarbonylContact C-O 3.58Å; P75-R169 VanDerWaalsContact CA-O 3.27Å; P75-R169 WeakPolarHBondContact CA-O 3.43Å; T76-R169 PolarHBondContact N-O 3.36Å; T76-R169 VanDerWaalsContact N-O 3.09Å; T76-R169 WeakPolarHBondContact OG1-CB 3.41Å; D166-R169 HydrophobicContact CB-CB 4.13Å; D166-R169 PolarHBondContact O-N 3.03Å; D166-R169 PolarHBondContact OD1-N 2.67Å; R169-F171 HydrophobicContact CB-CE2 4.23Å; R169-F171 HydrophobicContact CB-CZ 4.49Å; R169-F171 HydrophobicContact CG-CE2 3.9Å; R169-F171 HydrophobicContact CG-CZ 3.92Å; R169-F171 VanDerWaalsContact O-CE2 3.27Å; R169-F171 WeakPolarHBondContact O-CE2 3.23Å | ||
| 170 | M | 96.8 | Very high | 95 | Very high | 84 Ų | 84 | 47.6 Ų | 47.6 | 41% | 0.414 | 24% | 0.237 | S | C | . | . | trans | -102 | 155.2 | 175 | -60.9 | -61 | -72.3 | 0 | 0 | 109.4 | F73 P75 K168 | F73-M170 VanDerWaalsContact C-CE 3.47Å; F73-M170 WeakPolarHBondContact O-CE 3.37Å; P75-M170 HydrophobicContact CB-SD 4.14Å; K168-M170 PolarHBondContact O-N 3.32Å | ||
| 171 | F | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 155.4 | -172 | -64.2 | -100.9 | 0 | 0 | 0 | 109.6 | T72 F73 D104 C150 R169 | T72-F171 CarbonylContact C-O 3.55Å; T72-F171 VanDerWaalsContact CA-O 3.24Å; T72-F171 WeakPolarHBondContact CA-O 3.45Å; F73-F171 WeakPolarHBondContact CD1-O 3.47Å; F73-F171 HydrophobicContact CD2-CB 4.13Å; F73-F171 HydrophobicContact CE2-CB 3.66Å; F73-F171 HydrophobicContact CZ-CB 3.89Å; F73-F171 PolarHBondContact N-O 3.4Å; F73-F171 PolarHBondContact O-N 3.38Å; D104-F171 HydrophobicContact CB-CB 4.13Å; D104-F171 HydrophobicContact CB-CD1 3.61Å; D104-F171 HydrophobicContact CB-CE1 4.48Å; D104-F171 HydrophobicContact CB-CG 4.29Å; C150-F171 VanDerWaalsContact C-CE1 3.49Å; C150-F171 HydrophobicContact CB-CD2 3.53Å; C150-F171 HydrophobicContact CB-CE2 3.59Å; C150-F171 HydrophobicContact CB-CG 4.07Å; C150-F171 HydrophobicContact CB-CZ 4.13Å; C150-F171 WeakPolarHBondContact O-CE2 3.38Å; C150-F171 WeakPolarHBondContact O-CZ 3.06Å; R169-F171 HydrophobicContact CB-CE2 4.23Å; R169-F171 HydrophobicContact CB-CZ 4.49Å; R169-F171 HydrophobicContact CG-CE2 3.9Å; R169-F171 HydrophobicContact CG-CZ 3.92Å; R169-F171 VanDerWaalsContact O-CE2 3.27Å; R169-F171 WeakPolarHBondContact O-CE2 3.23Å |
| 172 | S | 97.5 | Very high | 95.7 | Very high | 20 Ų | 20 | 40.7 Ų | 40.7 | 14% | 0.14 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 158.2 | 178.6 | 60.7 | 0 | 0 | 0 | 0 | 111.4 | S103 D104 Q174 | S103-S172 VanDerWaalsContact CA-O 3.3Å; S103-S172 WeakPolarHBondContact CA-O 3.3Å; D104-S172 PolarHBondContact N-O 3.45Å; D104-S172 PolarHBondContact OD2-N 3.45Å; D104-S172 PolarHBondContact OD2-OG 3.11Å; S172-Q174 PolarHBondContact O-NE2 3.15Å; S172-Q174 PolarHBondContact OG-NE2 2.77Å |
| 173 | V | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 115.5 | 163.7 | -177.2 | 0 | 0 | 0 | 0 | 106.7 | Y67 I69 G70 F73 F82 W101 E102 K175 A176 | Y67-V173 HydrophobicContact CE1-CB 3.92Å; Y67-V173 HydrophobicContact CE1-CG2 4.1Å; Y67-V173 PolarHBondContact OH-N 3.42Å; Y67-V173 VanDerWaalsContact OH-N 3.07Å; I69-V173 WeakPolarHBondContact CG2-O 3.21Å; G70-V173 PolarHBondContact N-O 2.98Å; F73-V173 HydrophobicContact CE1-CG2 3.93Å; F73-V173 HydrophobicContact CZ-CG2 4.3Å; F82-V173 HydrophobicContact CE1-CG2 3.95Å; F82-V173 HydrophobicContact CE2-CG2 3.89Å; F82-V173 HydrophobicContact CZ-CG2 3.5Å; F82-V173 VanDerWaalsContact CZ-CG2 3.5Å; W101-V173 HydrophobicContact CD2-CG1 4.33Å; W101-V173 HydrophobicContact CE3-CG1 4.47Å; W101-V173 HydrophobicContact CH2-CG1 4.08Å; W101-V173 HydrophobicContact CH2-CG2 3.9Å; W101-V173 HydrophobicContact CZ2-CB 4.39Å; W101-V173 HydrophobicContact CZ2-CG1 3.92Å; W101-V173 HydrophobicContact CZ2-CG2 3.49Å; W101-V173 VanDerWaalsContact CZ2-CG2 3.49Å; W101-V173 HydrophobicContact CZ3-CG1 4.36Å; E102-V173 CarbonylContact O-C 3.59Å; E102-V173 WeakPolarHBondContact O-CA 3.37Å; E102-V173 WeakPolarHBondContact O-CG1 3.45Å; V173-K175 WeakPolarHBondContact CG1-O 3.22Å; V173-A176 HydrophobicContact CG1-CB 4.05Å |
| 174 | Q | 96.2 | Very high | 95.7 | Very high | 64 Ų | 64 | 48.7 Ų | 48.7 | 30% | 0.299 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | -31.9 | -178.7 | -60.9 | 87.1 | 25.4 | 0 | 0 | 112.9 | I69 E102 S103 D104 S172 | I69-Q174 WeakPolarHBondContact CG2-O 3.23Å; E102-Q174 PolarHBondContact O-N 2.9Å; E102-Q174 PolarHBondContact O-OE1 3.14Å; S103-Q174 VanDerWaalsContact CA-OE1 3.27Å; D104-Q174 PolarHBondContact OD1-NE2 3.27Å; D104-Q174 PolarHBondContact OD2-NE2 2.75Å; S172-Q174 PolarHBondContact O-NE2 3.15Å; S172-Q174 PolarHBondContact OG-NE2 2.77Å |
| 175 | K | 95.8 | Very high | 95.8 | Very high | 84 Ų | 84 | 47.3 Ų | 47.3 | 37% | 0.365 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 138.3 | 176.1 | -61 | -171.3 | -163.1 | 145.3 | 0 | 111 | L100 W101 E102 V173 | L100-K175 HydrophobicContact CD2-CD 4.1Å; W101-K175 WeakPolarHBondContact CA-O 3.42Å; E102-K175 HydrophobicContact CB-CB 4.04Å; E102-K175 HydrophobicContact CB-CG 4.41Å; E102-K175 VanDerWaalsContact CD-NZ 3.29Å; E102-K175 HydrophobicContact CG-CB 4.26Å; E102-K175 HydrophobicContact CG-CD 4.41Å; E102-K175 PolarHBondContact N-O 3.35Å; E102-K175 PolarHBondContact O-N 2.86Å; E102-K175 IonicContact OE1-NZ 3.61Å; E102-K175 PolarHBondContact OE1-NZ 3.04Å; E102-K175 WeakPolarHBondContact OE2-CD 3.43Å; E102-K175 WeakPolarHBondContact OE2-CE 3.4Å; E102-K175 IonicContact OE2-NZ 3.72Å; E102-K175 PolarHBondContact OE2-NZ 3.3Å; V173-K175 WeakPolarHBondContact CG1-O 3.22Å |
| 176 | A | 96.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 47 Ų | 47 | 3% | 0.025 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 97.1 | 173 | 0 | 0 | 0 | 0 | 0 | 108.2 | L42 I45 I69 L100 W101 V173 | L42-A176 HydrophobicContact CD1-CB 3.6Å; L42-A176 WeakPolarHBondContact CD1-O 3.32Å; L42-A176 WeakPolarHBondContact CG-O 3.24Å; I45-A176 HydrophobicContact CD1-CB 4.14Å; I69-A176 HydrophobicContact CD1-CB 3.96Å; I69-A176 WeakPolarHBondContact CD1-O 3.47Å; I69-A176 HydrophobicContact CG1-CB 4.32Å; L100-A176 VanDerWaalsContact O-CA 3.27Å; L100-A176 WeakPolarHBondContact O-CA 3.44Å; W101-A176 HydrophobicContact CE3-CB 3.88Å; W101-A176 HydrophobicContact CZ3-CB 3.96Å; V173-A176 HydrophobicContact CG1-CB 4.05Å |
| 177 | E | 96.8 | Very high | 96 | Very high | 53 Ų | 53 | 50.2 Ų | 50.2 | 25% | 0.248 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 160.8 | -175.7 | 62.6 | -175.2 | 152.8 | 0 | 0 | 112 | S39 L100 V179 | S39-E177 VanDerWaalsContact CB-OE2 3.23Å; S39-E177 WeakPolarHBondContact CB-OE2 3.35Å; S39-E177 PolarHBondContact OG-OE2 2.72Å; L100-E177 HydrophobicContact CB-CG 4.24Å; L100-E177 HydrophobicContact CD2-CG 4.24Å; L100-E177 PolarHBondContact N-O 3.11Å; L100-E177 PolarHBondContact O-N 3.06Å; L100-E177 VanDerWaalsContact O-N 3.07Å; E177-V179 HydrophobicContact CG-CG1 4.03Å |
| 178 | L | 96.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 139.6 | 169.1 | -59.8 | 179.8 | 0 | 0 | 0 | 109.2 | S39 Y40 L42 L86 I88 W92 H98 L130 | S39-L178 CarbonylContact C-O 3.41Å; S39-L178 WeakPolarHBondContact CA-O 3.34Å; Y40-L178 PolarHBondContact N-O 3.17Å; Y40-L178 PolarHBondContact O-N 3.31Å; L42-L178 HydrophobicContact CD2-CD2 4.26Å; L42-L178 HydrophobicContact CD2-CG 4.21Å; L86-L178 HydrophobicContact CB-CD1 4.31Å; L86-L178 HydrophobicContact CB-CD2 4.22Å; L86-L178 HydrophobicContact CD1-CD1 4.42Å; L86-L178 HydrophobicContact CD1-CD2 4.12Å; L86-L178 HydrophobicContact CD2-CD2 4.1Å; L86-L178 HydrophobicContact CG-CD2 4.36Å; I88-L178 HydrophobicContact CG1-CD1 4.33Å; W92-L178 HydrophobicContact CH2-CB 4.08Å; W92-L178 HydrophobicContact CZ3-CB 3.82Å; H98-L178 WeakPolarHBondContact O-CA 3.32Å; L130-L178 HydrophobicContact CD1-CD2 3.36Å |
| 179 | V | 96.6 | Very high | 96.3 | Very high | 3 Ų | 3 | 38 Ų | 38 | 2% | 0.018 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 144 | 176.9 | -63.5 | 0 | 0 | 0 | 0 | 111.1 | Y36 H98 L100 E177 F181 | Y36-V179 HydrophobicContact CD1-CB 3.94Å; Y36-V179 HydrophobicContact CD1-CG1 4.47Å; Y36-V179 HydrophobicContact CD1-CG2 3.46Å; Y36-V179 VanDerWaalsContact CD1-CG2 3.46Å; Y36-V179 HydrophobicContact CE1-CG2 3.79Å; Y36-V179 HydrophobicContact CG-CB 4.47Å; Y36-V179 HydrophobicContact CG-CG2 4.37Å; H98-V179 HydrophobicContact CB-CG2 3.9Å; H98-V179 PolarHBondContact N-O 2.71Å; H98-V179 PolarHBondContact O-N 2.97Å; L100-V179 HydrophobicContact CB-CG1 4.1Å; L100-V179 HydrophobicContact CB-CG2 4.07Å; L100-V179 HydrophobicContact CD2-CG1 4.19Å; E177-V179 HydrophobicContact CG-CG1 4.03Å; V179-F181 PolarHBondContact O-N 3.37Å |
| 180 | I | 96 | Very high | 96.4 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 9% | 0.087 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 121.7 | 162.1 | -63.3 | 176.2 | 0 | 0 | 0 | 107.9 | Y36 G37 E38 W92 K95 E96 | Y36-I180 CarbonylContact C-O 3.57Å; Y36-I180 WeakPolarHBondContact CA-O 3.2Å; G37-I180 PolarHBondContact N-O 3.36Å; E38-I180 HydrophobicContact CB-CD1 3.94Å; E38-I180 PolarHBondContact O-N 3.42Å; W92-I180 HydrophobicContact CD2-CD1 3.92Å; W92-I180 HydrophobicContact CD2-CG1 3.62Å; W92-I180 HydrophobicContact CE3-CG1 3.82Å; W92-I180 HydrophobicContact CG-CD1 3.89Å; W92-I180 HydrophobicContact CG-CG1 4.01Å; W92-I180 HydrophobicContact CH2-CG1 4.26Å; W92-I180 HydrophobicContact CZ2-CD1 4.42Å; W92-I180 HydrophobicContact CZ2-CG1 4.1Å; W92-I180 HydrophobicContact CZ3-CG1 4.13Å; K95-I180 HydrophobicContact CB-CG1 4.48Å; K95-I180 HydrophobicContact CB-CG2 4.16Å; K95-I180 HydrophobicContact CD-CG2 4.48Å; K95-I180 HydrophobicContact CG-CD1 4.29Å; K95-I180 HydrophobicContact CG-CG2 4.44Å; E96-I180 WeakPolarHBondContact O-CA 3.47Å |
| 181 | F | 96 | Very high | 96.4 | Very high | 17 Ų | 17 | 30.6 Ų | 30.6 | 8% | 0.075 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 124.9 | 175.5 | -174.6 | -102.3 | 0 | 0 | 0 | 110.6 | L35 Y36 E96 H98 V179 R183 Q186 | L35-F181 HydrophobicContact CD1-CD2 4.29Å; L35-F181 HydrophobicContact CD1-CE2 3.58Å; L35-F181 HydrophobicContact CD1-CZ 3.9Å; L35-F181 HydrophobicContact CG-CE2 4.05Å; Y36-F181 HydrophobicContact CD1-CD2 4.06Å; Y36-F181 AromaticContact CE1-CD2 3.65Å; Y36-F181 HydrophobicContact CE1-CD2 3.65Å; Y36-F181 HydrophobicContact CE1-CE2 4.17Å; E96-F181 HydrophobicContact CG-CB 4.21Å; E96-F181 HydrophobicContact CG-CD1 4.47Å; E96-F181 PolarHBondContact O-N 3.16Å; H98-F181 VanDerWaalsContact CD2-CB 3.47Å; H98-F181 WeakPolarHBondContact CD2-CB 3.42Å; H98-F181 AromaticContact CE1-CD1 3.64Å; H98-F181 AromaticContact CE1-CD2 3.65Å; H98-F181 AromaticContact CE1-CG 3.37Å; H98-F181 WeakPolarHBondContact CE1-CG 3.42Å; H98-F181 AromaticContact ND1-CD2 3.91Å; H98-F181 AromaticContact ND1-CG 3.92Å; H98-F181 WeakPolarHBondContact NE2-CB 3.49Å; H98-F181 AromaticContact NE2-CD1 3.58Å; H98-F181 AromaticContact NE2-CG 3.44Å; H98-F181 WeakPolarHBondContact NE2-CG 3.11Å; V179-F181 PolarHBondContact O-N 3.37Å; F181-R183 HydrophobicContact CD1-CB 4.49Å; F181-R183 HydrophobicContact CE1-CB 4.48Å; F181-R183 PolarHBondContact O-N 3.44Å; F181-Q186 HydrophobicContact CE1-CB 4.11Å; F181-Q186 HydrophobicContact CZ-CB 3.75Å; F181-Q186 HydrophobicContact CZ-CG 3.92Å |
| 182 | N | 95.4 | Very high | 96.5 | Very high | 50 Ų | 50 | 30.6 Ų | 30.6 | 27% | 0.267 | 14% | 0.144 | S | C | . | . | trans | -93.4 | 91.6 | 179.3 | -69.1 | -40.4 | 0 | 0 | 0 | 110.5 | R34 L35 D184 V185 Q186 | R34-N182 PolarHBondContact O-ND2 3.11Å; L35-N182 PolarHBondContact O-N 3.21Å; N182-D184 VanDerWaalsContact C-N 3.34Å; N182-D184 PolarHBondContact O-N 3.47Å; N182-V185 HydrophobicContact CB-CB 3.9Å; N182-V185 HydrophobicContact CB-CG2 3.78Å; N182-V185 WeakPolarHBondContact O-CB 3.22Å; N182-V185 PolarHBondContact O-N 3.01Å; N182-V185 VanDerWaalsContact O-N 3.12Å; N182-Q186 PolarHBondContact O-N 3.01Å; N182-Q186 VanDerWaalsContact O-N 3.08Å | ||
| 183 | R | 94 | Very high | 96.4 | Very high | 93 Ų | 93 | 30.7 Ų | 30.7 | 35% | 0.351 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -57.3 | -40.9 | -178 | -172.6 | 60.6 | 66.4 | 166.3 | 2.2 | 114.1 | E96 F181 V185 Q186 K187 | E96-R183 IonicContact OE1-CZ 3.01Å; E96-R183 IonicContact OE1-NE 2.9Å; E96-R183 IonicContact OE1-NH2 3.43Å; E96-R183 PolarHBondContact OE1-NH2 2.97Å; E96-R183 IonicContact OE2-CZ 3.88Å; E96-R183 IonicContact OE2-NE 3.83Å; E96-R183 PolarHBondContact OE2-NE 3.41Å; E96-R183 IonicContact OE2-NH2 3.88Å; F181-R183 HydrophobicContact CD1-CB 4.49Å; F181-R183 HydrophobicContact CE1-CB 4.48Å; F181-R183 PolarHBondContact O-N 3.44Å; R183-V185 VanDerWaalsContact C-N 3.32Å; R183-V185 PolarHBondContact O-N 3.34Å; R183-Q186 WeakPolarHBondContact O-CB 3.31Å; R183-Q186 PolarHBondContact O-N 2.68Å; R183-K187 PolarHBondContact O-N 2.83Å |
| 184 | D | 94.2 | Very high | 96.5 | Very high | 96 Ų | 96 | 30.7 Ų | 30.7 | 51% | 0.513 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -65 | -37.6 | 177.9 | -66.6 | -35.2 | 0 | 0 | 0 | 111.8 | N182 K187 L188 F231 | N182-D184 VanDerWaalsContact C-N 3.34Å; N182-D184 PolarHBondContact O-N 3.47Å; D184-K187 PolarHBondContact O-N 3.01Å; D184-L188 PolarHBondContact O-N 2.82Å; D184-F231 HydrophobicContact CB-CD2 3.93Å; D184-F231 HydrophobicContact CB-CE2 4.47Å |
| 185 | V | 96.4 | Very high | 96.5 | Very high | 3 Ų | 3 | 27.7 Ų | 27.7 | 2% | 0.018 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.3 | -45 | 175 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | L31 R34 L35 N182 R183 K187 L188 L189 F231 | L31-V185 HydrophobicContact CD1-CB 4.44Å; L31-V185 HydrophobicContact CD1-CG1 3.86Å; L31-V185 HydrophobicContact CD1-CG2 4.22Å; L31-V185 HydrophobicContact CG-CG1 4Å; L31-V185 VanDerWaalsContact O-CG1 3.31Å; L31-V185 WeakPolarHBondContact O-CG1 3.09Å; R34-V185 HydrophobicContact CB-CG1 4.38Å; R34-V185 HydrophobicContact CB-CG2 4.25Å; L35-V185 HydrophobicContact CB-CG1 4.39Å; N182-V185 HydrophobicContact CB-CB 3.9Å; N182-V185 HydrophobicContact CB-CG2 3.78Å; N182-V185 WeakPolarHBondContact O-CB 3.22Å; N182-V185 PolarHBondContact O-N 3.01Å; N182-V185 VanDerWaalsContact O-N 3.12Å; R183-V185 VanDerWaalsContact C-N 3.32Å; R183-V185 PolarHBondContact O-N 3.34Å; V185-K187 VanDerWaalsContact C-N 3.29Å; V185-K187 PolarHBondContact O-N 2.9Å; V185-L188 PolarHBondContact O-N 2.71Å; V185-L189 HydrophobicContact CG1-CD1 3.78Å; V185-L189 HydrophobicContact CG1-CG 4.26Å; V185-L189 WeakPolarHBondContact O-CB 3.31Å; V185-L189 WeakPolarHBondContact O-CD1 3.42Å; V185-L189 WeakPolarHBondContact O-CG 3.39Å; V185-L189 PolarHBondContact O-N 3.2Å; V185-F231 HydrophobicContact CG2-CE2 3.7Å; V185-F231 HydrophobicContact CG2-CZ 3.88Å |
| 186 | Q | 95.6 | Very high | 96.6 | Very high | 22 Ų | 22 | 23.9 Ų | 23.9 | 10% | 0.103 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -57.8 | -42 | 174.9 | -178.7 | 59.6 | 40.1 | 0 | 0 | 112.2 | L35 F181 N182 R183 L189 T190 | L35-Q186 HydrophobicContact CD1-CB 3.8Å; L35-Q186 VanDerWaalsContact CD1-OE1 3.27Å; F181-Q186 HydrophobicContact CE1-CB 4.11Å; F181-Q186 HydrophobicContact CZ-CB 3.75Å; F181-Q186 HydrophobicContact CZ-CG 3.92Å; N182-Q186 PolarHBondContact O-N 3.01Å; N182-Q186 VanDerWaalsContact O-N 3.08Å; R183-Q186 WeakPolarHBondContact O-CB 3.31Å; R183-Q186 PolarHBondContact O-N 2.68Å; Q186-L189 PolarHBondContact O-N 3.04Å; Q186-T190 PolarHBondContact O-N 3.45Å; Q186-T190 PolarHBondContact O-OG1 3.12Å |
| 187 | K | 96.4 | Very high | 96.6 | Very high | 110 Ų | 110 | 25.2 Ų | 25.2 | 48% | 0.478 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -64.5 | -47.9 | 178.2 | -174.5 | -179.5 | 174.7 | -174.7 | 0 | 111.5 | R183 D184 V185 L189 T190 E191 | R183-K187 PolarHBondContact O-N 2.83Å; D184-K187 PolarHBondContact O-N 3.01Å; V185-K187 VanDerWaalsContact C-N 3.29Å; V185-K187 PolarHBondContact O-N 2.9Å; K187-L189 VanDerWaalsContact C-N 3.33Å; K187-L189 PolarHBondContact O-N 2.78Å; K187-T190 WeakPolarHBondContact O-CB 3.3Å; K187-T190 PolarHBondContact O-N 3.35Å; K187-E191 VanDerWaalsContact CE-OE1 3.32Å; K187-E191 WeakPolarHBondContact CE-OE1 3.46Å; K187-E191 WeakPolarHBondContact O-CG 3.38Å; K187-E191 PolarHBondContact O-N 3.09Å |
| 188 | L | 97.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.5 | -43.8 | 175.1 | -77.3 | 173.4 | 0 | 0 | 0 | 111.6 | L31 D184 V185 T190 E191 F192 M219 F231 A234 H235 | L31-L188 HydrophobicContact CD1-CD1 4.2Å; L31-L188 HydrophobicContact CD2-CB 3.64Å; L31-L188 HydrophobicContact CD2-CD1 4.43Å; D184-L188 PolarHBondContact O-N 2.82Å; V185-L188 PolarHBondContact O-N 2.71Å; L188-T190 VanDerWaalsContact C-N 3.27Å; L188-T190 PolarHBondContact O-N 3.03Å; L188-E191 PolarHBondContact O-N 2.84Å; L188-F192 HydrophobicContact CB-CD2 4.4Å; L188-F192 WeakPolarHBondContact O-CB 3.41Å; L188-F192 WeakPolarHBondContact O-CD2 3.3Å; L188-F192 PolarHBondContact O-N 3.31Å; L188-M219 HydrophobicContact CD2-CE 4.44Å; L188-F231 HydrophobicContact CD1-CB 3.79Å; L188-F231 HydrophobicContact CD1-CD1 3.62Å; L188-F231 HydrophobicContact CD1-CD2 4.09Å; L188-F231 HydrophobicContact CD1-CE1 4.2Å; L188-F231 HydrophobicContact CD1-CG 3.56Å; L188-A234 HydrophobicContact CD2-CB 3.75Å; L188-H235 VanDerWaalsContact CD2-CE1 3.42Å; L188-H235 WeakPolarHBondContact CD2-CE1 3.42Å; L188-H235 WeakPolarHBondContact CD2-ND1 3.33Å; L188-H235 WeakPolarHBondContact CG-CE1 3.36Å |
| 189 | L | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -56.7 | -44.8 | 176.7 | -74.2 | 163.8 | 0 | 0 | 0 | 111 | I21 L31 R32 L35 V185 Q186 K187 F192 E193 | I21-L189 HydrophobicContact CB-CD2 3.84Å; I21-L189 HydrophobicContact CG2-CD2 3.8Å; L31-L189 HydrophobicContact CB-CD2 4.33Å; L31-L189 HydrophobicContact CD2-CD2 3.93Å; L31-L189 HydrophobicContact CD2-CG 4Å; L31-L189 HydrophobicContact CG-CD2 4.01Å; L31-L189 HydrophobicContact CG-CG 4.14Å; R32-L189 HydrophobicContact CB-CD2 3.94Å; L35-L189 HydrophobicContact CB-CD1 4.35Å; L35-L189 HydrophobicContact CD1-CD1 4.21Å; V185-L189 HydrophobicContact CG1-CD1 3.78Å; V185-L189 HydrophobicContact CG1-CG 4.26Å; V185-L189 WeakPolarHBondContact O-CB 3.31Å; V185-L189 WeakPolarHBondContact O-CD1 3.42Å; V185-L189 WeakPolarHBondContact O-CG 3.39Å; V185-L189 PolarHBondContact O-N 3.2Å; Q186-L189 PolarHBondContact O-N 3.04Å; K187-L189 VanDerWaalsContact C-N 3.33Å; K187-L189 PolarHBondContact O-N 2.78Å; L189-F192 PolarHBondContact O-N 3.07Å; L189-E193 VanDerWaalsContact O-CB 3.31Å; L189-E193 WeakPolarHBondContact O-CB 3.24Å; L189-E193 VanDerWaalsContact O-CG 3.22Å; L189-E193 WeakPolarHBondContact O-CG 3.44Å; L189-E193 PolarHBondContact O-N 2.84Å |
| 190 | T | 97.8 | Very high | 96.4 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 177.3 | -50.4 | 0 | 0 | 0 | 0 | 111.4 | Q186 K187 L188 E193 M194 L471 D474 R475 L478 | Q186-T190 PolarHBondContact O-N 3.45Å; Q186-T190 PolarHBondContact O-OG1 3.12Å; K187-T190 WeakPolarHBondContact O-CB 3.3Å; K187-T190 PolarHBondContact O-N 3.35Å; L188-T190 VanDerWaalsContact C-N 3.27Å; L188-T190 PolarHBondContact O-N 3.03Å; T190-E193 PolarHBondContact O-N 3.49Å; T190-M194 WeakPolarHBondContact O-CB 3.38Å; T190-M194 WeakPolarHBondContact O-CG 3.14Å; T190-M194 PolarHBondContact O-N 3.21Å; T190-L471 HydrophobicContact CG2-CD1 3.92Å; T190-L471 WeakPolarHBondContact OG1-CD1 3.48Å; T190-D474 HydrophobicContact CG2-CB 4.39Å; T190-R475 HydrophobicContact CG2-CG 3.72Å; T190-L478 HydrophobicContact CG2-CD1 3.81Å |
| 191 | E | 98.1 | Very high | 96.4 | Very high | 6 Ų | 6 | 29.3 Ų | 29.3 | 3% | 0.028 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.3 | -44.7 | 176.9 | -70.7 | 168.1 | 178.8 | 0 | 0 | 112.2 | K187 L188 L195 M219 H235 A238 F242 L478 | K187-E191 VanDerWaalsContact CE-OE1 3.32Å; K187-E191 WeakPolarHBondContact CE-OE1 3.46Å; K187-E191 WeakPolarHBondContact O-CG 3.38Å; K187-E191 PolarHBondContact O-N 3.09Å; L188-E191 PolarHBondContact O-N 2.84Å; E191-L195 WeakPolarHBondContact O-CG 3.49Å; E191-L195 PolarHBondContact O-N 3.29Å; E191-M219 HydrophobicContact CB-CE 4.21Å; E191-H235 VanDerWaalsContact CD-ND1 3.29Å; E191-H235 IonicContact OE1-CE1 2.82Å; E191-H235 IonicContact OE1-ND1 3.56Å; E191-H235 PolarHBondContact OE1-ND1 3.31Å; E191-H235 IonicContact OE2-CE1 3.74Å; E191-H235 IonicContact OE2-CG 2.81Å; E191-H235 IonicContact OE2-ND1 3.55Å; E191-H235 PolarHBondContact OE2-ND1 3.13Å; E191-A238 HydrophobicContact CB-CB 3.9Å; E191-A238 HydrophobicContact CG-CB 3.95Å; E191-A238 WeakPolarHBondContact OE2-CB 3.44Å; E191-F242 HydrophobicContact CB-CE2 4.37Å; E191-F242 HydrophobicContact CG-CE2 4.47Å; E191-L478 HydrophobicContact CG-CD1 4.15Å; E191-L478 HydrophobicContact CG-CD2 4.14Å |
| 192 | F | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.2 | -47.2 | 175.9 | -86.1 | -69 | 0 | 0 | 0 | 112.2 | F20 I21 L31 L188 L189 M194 L195 V196 M219 V220 | F20-F192 HydrophobicContact CD1-CD2 4.42Å; F20-F192 HydrophobicContact CD1-CE1 4.19Å; F20-F192 AromaticContact CD1-CE2 3.93Å; F20-F192 HydrophobicContact CD1-CE2 3.93Å; F20-F192 AromaticContact CD1-CZ 3.78Å; F20-F192 HydrophobicContact CD1-CZ 3.78Å; F20-F192 HydrophobicContact CE1-CD2 4.44Å; F20-F192 HydrophobicContact CE1-CE1 4.46Å; F20-F192 AromaticContact CE1-CE2 3.63Å; F20-F192 HydrophobicContact CE1-CE2 3.63Å; F20-F192 AromaticContact CE1-CZ 3.61Å; F20-F192 HydrophobicContact CE1-CZ 3.61Å; I21-F192 HydrophobicContact CD1-CB 4.26Å; I21-F192 HydrophobicContact CG2-CB 3.54Å; I21-F192 HydrophobicContact CG2-CD2 4.11Å; I21-F192 HydrophobicContact CG2-CG 3.88Å; L31-F192 HydrophobicContact CD2-CD2 3.71Å; L31-F192 HydrophobicContact CD2-CE2 3.8Å; L188-F192 HydrophobicContact CB-CD2 4.4Å; L188-F192 WeakPolarHBondContact O-CB 3.41Å; L188-F192 WeakPolarHBondContact O-CD2 3.3Å; L188-F192 PolarHBondContact O-N 3.31Å; L189-F192 PolarHBondContact O-N 3.07Å; F192-M194 VanDerWaalsContact C-N 3.33Å; F192-M194 PolarHBondContact O-N 3.27Å; F192-L195 PolarHBondContact O-N 3.03Å; F192-V196 WeakPolarHBondContact O-CB 3.41Å; F192-V196 VanDerWaalsContact O-CG2 3.29Å; F192-V196 WeakPolarHBondContact O-CG2 3.23Å; F192-V196 PolarHBondContact O-N 3.04Å; F192-M219 HydrophobicContact CD1-CB 4.48Å; F192-M219 HydrophobicContact CD1-CE 4.15Å; F192-M219 HydrophobicContact CD2-CE 4Å; F192-M219 HydrophobicContact CE1-CB 3.45Å; F192-M219 VanDerWaalsContact CE1-CB 3.45Å; F192-M219 HydrophobicContact CE1-CE 4.03Å; F192-M219 HydrophobicContact CE1-SD 4.42Å; F192-M219 HydrophobicContact CE2-CB 4.33Å; F192-M219 HydrophobicContact CE2-CE 3.86Å; F192-M219 HydrophobicContact CG-CE 4.14Å; F192-M219 HydrophobicContact CZ-CB 3.37Å; F192-M219 HydrophobicContact CZ-CE 3.9Å; F192-V220 HydrophobicContact CE1-CG2 3.62Å; F192-V220 HydrophobicContact CZ-CG2 4.07Å |
| 193 | E | 97 | Very high | 95.3 | Very high | 22 Ų | 22 | 28.8 Ų | 28.8 | 10% | 0.103 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -55.1 | -49.8 | 176.6 | -78.3 | 175.1 | -168.2 | 0 | 0 | 110.4 | I21 R32 L189 T190 L195 V196 D197 R475 | I21-E193 HydrophobicContact CD1-CB 4.45Å; I21-E193 HydrophobicContact CD1-CG 3.74Å; R32-E193 IonicContact CZ-OE1 2.63Å; R32-E193 VanDerWaalsContact CZ-OE1 3.27Å; R32-E193 IonicContact NH1-OE1 3.52Å; R32-E193 PolarHBondContact NH1-OE1 3.29Å; R32-E193 IonicContact NH2-OE1 3.48Å; R32-E193 PolarHBondContact NH2-OE1 3.4Å; L189-E193 VanDerWaalsContact O-CB 3.31Å; L189-E193 WeakPolarHBondContact O-CB 3.24Å; L189-E193 VanDerWaalsContact O-CG 3.22Å; L189-E193 WeakPolarHBondContact O-CG 3.44Å; L189-E193 PolarHBondContact O-N 2.84Å; T190-E193 PolarHBondContact O-N 3.49Å; E193-L195 PolarHBondContact O-N 3.43Å; E193-V196 PolarHBondContact O-N 2.82Å; E193-D197 PolarHBondContact O-N 3Å; E193-R475 IonicContact OE2-CZ 3.98Å; E193-R475 IonicContact OE2-NE 2.8Å; E193-R475 IonicContact OE2-NH2 3.86Å; E193-R475 PolarHBondContact OE2-NH2 2.95Å |
| 194 | M | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.8 | -40 | -179.5 | -67.2 | -65.1 | -81.8 | 0 | 0 | 112.4 | T190 F192 D197 I198 F242 I436 R475 L478 V479 | T190-M194 WeakPolarHBondContact O-CB 3.38Å; T190-M194 WeakPolarHBondContact O-CG 3.14Å; T190-M194 PolarHBondContact O-N 3.21Å; F192-M194 VanDerWaalsContact C-N 3.33Å; F192-M194 PolarHBondContact O-N 3.27Å; M194-D197 PolarHBondContact O-N 3.32Å; M194-I198 VanDerWaalsContact O-CG1 3.27Å; M194-I198 WeakPolarHBondContact O-CG1 3.47Å; M194-I198 PolarHBondContact O-N 2.76Å; M194-F242 HydrophobicContact CB-CE1 4.23Å; M194-F242 HydrophobicContact CB-CZ 3.79Å; M194-I436 HydrophobicContact CE-CD1 3.42Å; M194-I436 VanDerWaalsContact CE-CD1 3.42Å; M194-I436 HydrophobicContact CE-CG1 3.97Å; M194-I436 HydrophobicContact SD-CD1 4.18Å; M194-I436 HydrophobicContact SD-CG1 4.08Å; M194-R475 HydrophobicContact CE-CB 4Å; M194-R475 HydrophobicContact CE-CG 4.46Å; M194-R475 HydrophobicContact CG-CG 4.17Å; M194-R475 HydrophobicContact SD-CB 3.91Å; M194-R475 HydrophobicContact SD-CG 3.72Å; M194-L478 HydrophobicContact CG-CD1 4.13Å; M194-V479 HydrophobicContact CE-CG1 3.71Å; M194-V479 HydrophobicContact CE-CG2 3.94Å |
| 195 | L | 97.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.2 | -44 | 174.1 | -74.9 | 169.6 | 0 | 0 | 0 | 111.9 | E191 F192 E193 D197 I198 V199 A212 T215 A216 M219 F241 F242 | E191-L195 WeakPolarHBondContact O-CG 3.49Å; E191-L195 PolarHBondContact O-N 3.29Å; F192-L195 PolarHBondContact O-N 3.03Å; E193-L195 PolarHBondContact O-N 3.43Å; L195-D197 VanDerWaalsContact C-N 3.32Å; L195-D197 PolarHBondContact O-N 2.97Å; L195-I198 WeakPolarHBondContact O-CB 3.27Å; L195-I198 PolarHBondContact O-N 3.38Å; L195-V199 WeakPolarHBondContact O-CG2 3.46Å; L195-V199 PolarHBondContact O-N 2.87Å; L195-V199 VanDerWaalsContact O-N 3.07Å; L195-A212 HydrophobicContact CD2-CB 3.95Å; L195-T215 HydrophobicContact CD1-CG2 4.02Å; L195-T215 HydrophobicContact CD2-CG2 4.48Å; L195-A216 HydrophobicContact CB-CB 4.24Å; L195-A216 HydrophobicContact CD1-CB 4.32Å; L195-M219 HydrophobicContact CD1-CE 4.29Å; L195-M219 HydrophobicContact CD1-SD 3.35Å; L195-M219 WeakPolarHBondContact CD1-SD 3.45Å; L195-F241 HydrophobicContact CD2-CB 4.46Å; L195-F241 HydrophobicContact CD2-CD1 3.41Å; L195-F241 VanDerWaalsContact CD2-CD1 3.41Å; L195-F241 HydrophobicContact CD2-CD2 4.34Å; L195-F241 HydrophobicContact CD2-CE1 3.64Å; L195-F241 HydrophobicContact CD2-CG 3.8Å; L195-F241 HydrophobicContact CD2-CZ 4.21Å; L195-F242 HydrophobicContact CD2-CE2 4.36Å; L195-F242 HydrophobicContact CD2-CZ 4.05Å; L195-F242 HydrophobicContact CG-CE2 4.12Å; L195-F242 HydrophobicContact CG-CZ 3.88Å |
| 196 | V | 96.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 34.5 Ų | 34.5 | 3% | 0.03 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.5 | -42.5 | 177.5 | 166 | 0 | 0 | 0 | 0 | 110.7 | L14 A17 E18 I21 F192 E193 V199 K200 | L14-V196 HydrophobicContact CD1-CG1 3.99Å; A17-V196 HydrophobicContact CB-CG2 3.8Å; E18-V196 HydrophobicContact CG-CG1 3.98Å; I21-V196 HydrophobicContact CD1-CG2 4.44Å; F192-V196 WeakPolarHBondContact O-CB 3.41Å; F192-V196 VanDerWaalsContact O-CG2 3.29Å; F192-V196 WeakPolarHBondContact O-CG2 3.23Å; F192-V196 PolarHBondContact O-N 3.04Å; E193-V196 PolarHBondContact O-N 2.82Å; V196-V199 WeakPolarHBondContact O-CB 3.15Å; V196-V199 PolarHBondContact O-N 3.5Å; V196-K200 HydrophobicContact CG1-CD 4.29Å; V196-K200 WeakPolarHBondContact O-CG 3.33Å; V196-K200 PolarHBondContact O-N 3.21Å; V196-K200 VanDerWaalsContact O-N 3.16Å |
| 197 | D | 96.4 | Very high | 93.8 | Very high | 30 Ų | 30 | 39.7 Ų | 39.7 | 16% | 0.16 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.8 | -41.2 | 176.1 | -74 | -4.1 | 0 | 0 | 0 | 111.2 | E193 M194 L195 V199 K200 E201 I436 | E193-D197 PolarHBondContact O-N 3Å; M194-D197 PolarHBondContact O-N 3.32Å; L195-D197 VanDerWaalsContact C-N 3.32Å; L195-D197 PolarHBondContact O-N 2.97Å; D197-V199 VanDerWaalsContact C-N 3.3Å; D197-V199 PolarHBondContact O-N 2.86Å; D197-K200 PolarHBondContact O-N 3.36Å; D197-E201 WeakPolarHBondContact O-CB 3.15Å; D197-E201 WeakPolarHBondContact O-CG 3.16Å; D197-E201 PolarHBondContact O-N 3.32Å; D197-I436 HydrophobicContact CB-CB 3.78Å; D197-I436 HydrophobicContact CB-CG1 3.65Å |
| 198 | I | 96.8 | Very high | 93.7 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -57.3 | -43 | 173.5 | -68.9 | 168.8 | 0 | 0 | 0 | 111.6 | M194 L195 K200 L202 A212 F241 F242 I436 L485 | M194-I198 VanDerWaalsContact O-CG1 3.27Å; M194-I198 WeakPolarHBondContact O-CG1 3.47Å; M194-I198 PolarHBondContact O-N 2.76Å; L195-I198 WeakPolarHBondContact O-CB 3.27Å; L195-I198 PolarHBondContact O-N 3.38Å; I198-K200 PolarHBondContact O-N 3.39Å; I198-L202 HydrophobicContact CG2-CD1 3.64Å; I198-L202 HydrophobicContact CG2-CG 4.08Å; I198-L202 WeakPolarHBondContact O-CB 3.31Å; I198-L202 PolarHBondContact O-N 3.4Å; I198-A212 HydrophobicContact CB-CB 4.1Å; I198-A212 HydrophobicContact CG2-CB 3.72Å; I198-F241 HydrophobicContact CD1-CE1 3.68Å; I198-F241 HydrophobicContact CD1-CZ 4.27Å; I198-F241 HydrophobicContact CG2-CZ 4.47Å; I198-F242 HydrophobicContact CD1-CE1 3.97Å; I198-I436 HydrophobicContact CD1-CD1 4.14Å; I198-I436 HydrophobicContact CG1-CD1 3.7Å; I198-I436 HydrophobicContact CG1-CG1 3.83Å; I198-I436 HydrophobicContact CG1-CG2 4.04Å; I198-L485 HydrophobicContact CD1-CD1 3.83Å; I198-L485 HydrophobicContact CG1-CD1 4.06Å; I198-L485 HydrophobicContact CG1-CD2 4.44Å |
| 199 | V | 95.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.006 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.9 | -36.9 | 178 | 177.8 | 0 | 0 | 0 | 0 | 111.4 | R10 L14 L195 V196 D197 G209 A212 L213 | R10-V199 PolarHBondContact NH2-O 3.41Å; L14-V199 HydrophobicContact CD1-CB 4.21Å; L14-V199 HydrophobicContact CD1-CG1 3.95Å; L14-V199 HydrophobicContact CD2-CG1 4.3Å; L195-V199 WeakPolarHBondContact O-CG2 3.46Å; L195-V199 PolarHBondContact O-N 2.87Å; L195-V199 VanDerWaalsContact O-N 3.07Å; V196-V199 WeakPolarHBondContact O-CB 3.15Å; V196-V199 PolarHBondContact O-N 3.5Å; D197-V199 VanDerWaalsContact C-N 3.3Å; D197-V199 PolarHBondContact O-N 2.86Å; V199-G209 WeakPolarHBondContact CG2-O 3.3Å; V199-A212 HydrophobicContact CG2-CB 3.88Å; V199-L213 HydrophobicContact CG1-CB 4.24Å; V199-L213 HydrophobicContact CG1-CD1 4.2Å; V199-L213 HydrophobicContact CG2-CB 3.67Å; V199-L213 HydrophobicContact CG2-CD1 4.23Å |
| 200 | K | 94.3 | Very high | 93.4 | Very high | 89 Ų | 89 | 38.7 Ų | 38.7 | 39% | 0.387 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -75.2 | -48.1 | -179.8 | -70 | 172.3 | 178.8 | 177.9 | 0 | 111.7 | L14 E18 V196 D197 I198 | L14-K200 HydrophobicContact CD2-CG 4.46Å; E18-K200 WeakPolarHBondContact OE1-CE 3.29Å; E18-K200 IonicContact OE1-NZ 3.45Å; E18-K200 PolarHBondContact OE1-NZ 3.15Å; V196-K200 HydrophobicContact CG1-CD 4.29Å; V196-K200 WeakPolarHBondContact O-CG 3.33Å; V196-K200 PolarHBondContact O-N 3.21Å; V196-K200 VanDerWaalsContact O-N 3.16Å; D197-K200 PolarHBondContact O-N 3.36Å; I198-K200 PolarHBondContact O-N 3.39Å |
| 201 | E | 95.3 | Very high | 93.3 | Very high | 68 Ų | 68 | 41.7 Ų | 41.7 | 32% | 0.318 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -79 | -36.8 | -170 | -65 | -52.4 | 123 | 0 | 0 | 114 | D197 G203 I436 E437 V440 | D197-E201 WeakPolarHBondContact O-CB 3.15Å; D197-E201 WeakPolarHBondContact O-CG 3.16Å; D197-E201 PolarHBondContact O-N 3.32Å; E201-G203 VanDerWaalsContact C-N 3.3Å; E201-I436 HydrophobicContact CB-CG2 4.02Å; E201-I436 HydrophobicContact CG-CB 4.43Å; E201-I436 HydrophobicContact CG-CG2 4.08Å; E201-E437 HydrophobicContact CG-CB 4.14Å; E201-V440 HydrophobicContact CB-CG2 4.25Å |
| 202 | L | 90.9 | Very high | 93.2 | Very high | 32 Ų | 32 | 41.4 Ų | 41.4 | 17% | 0.168 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -78.5 | -15.7 | 177.6 | -61.4 | -172.1 | 0 | 0 | 0 | 113 | I198 E206 R208 V440 L485 | I198-L202 HydrophobicContact CG2-CD1 3.64Å; I198-L202 HydrophobicContact CG2-CG 4.08Å; I198-L202 WeakPolarHBondContact O-CB 3.31Å; I198-L202 PolarHBondContact O-N 3.4Å; L202-E206 HydrophobicContact CB-CB 3.96Å; L202-E206 HydrophobicContact CB-CG 4.21Å; L202-E206 WeakPolarHBondContact O-CG 3.23Å; L202-R208 HydrophobicContact CD1-CB 3.88Å; L202-R208 HydrophobicContact CD1-CG 3.95Å; L202-V440 HydrophobicContact CD2-CG2 4.49Å; L202-L485 HydrophobicContact CD2-CD2 4.37Å |
| 203 | G | 78 | Confident | 93.1 | Very high | 25 Ų | 25 | 41.6 Ų | 41.6 | 26% | 0.258 | 22% | 0.22 | S | C | . | . | trans | 70.6 | -172.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115 | E201 | E201-G203 VanDerWaalsContact C-N 3.3Š| ||
| 204 | E | 82.8 | Confident | 93 | Very high | 126 Ų | 126 | 44.8 Ų | 44.8 | 59% | 0.589 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -9.8 | -173.7 | -56.3 | -167.4 | 161.8 | 0 | 0 | 114 | R10 Y210 | R10-E204 WeakPolarHBondContact CD-OE1 3.48Å; R10-E204 IonicContact CZ-OE1 3.99Å; R10-E204 IonicContact NE-OE1 2.65Å; R10-E204 IonicContact NH1-OE1 3.77Å; R10-E204 PolarHBondContact NH1-OE1 3.48Å; E204-Y210 WeakPolarHBondContact O-CE2 3.32Å |
| 205 | G | 83.1 | Confident | 92.9 | Very high | 76 Ų | 76 | 46 Ų | 46 | 78% | 0.784 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -16.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 206 | E | 89.8 | Confident | 92.9 | Very high | 109 Ų | 109 | 46.1 Ų | 46.1 | 51% | 0.509 | 24% | 0.242 | S | C | . | . | trans | -103.9 | 122.3 | -169.2 | -67.8 | -61.3 | 154.9 | 0 | 0 | 112.1 | L202 R208 G209 Y210 | L202-E206 HydrophobicContact CB-CB 3.96Å; L202-E206 HydrophobicContact CB-CG 4.21Å; L202-E206 WeakPolarHBondContact O-CG 3.23Å; E206-R208 PolarHBondContact O-N 3.2Å; E206-R208 VanDerWaalsContact O-N 3.17Å; E206-G209 PolarHBondContact O-N 2.86Å; E206-G209 VanDerWaalsContact O-N 3.07Å; E206-Y210 PolarHBondContact O-N 3Å | ||
| 207 | Q | 92.6 | Very high | 92.9 | Very high | 132 Ų | 132 | 46.1 Ų | 46.1 | 62% | 0.617 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -56.9 | -34.6 | 178.2 | 179.6 | 62 | 12.9 | 0 | 0 | 111.8 | G209 Y210 Q211 | Q207-G209 VanDerWaalsContact C-N 3.33Å; Q207-G209 PolarHBondContact O-N 3.37Å; Q207-Y210 PolarHBondContact O-N 2.81Å; Q207-Q211 WeakPolarHBondContact O-CG 3.4Å; Q207-Q211 PolarHBondContact O-N 3.03Å |
| 208 | R | 94.1 | Very high | 92.9 | Very high | 12 Ų | 12 | 47.8 Ų | 47.8 | 5% | 0.045 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.6 | -36.8 | 179.7 | -167.9 | 62.5 | 172.2 | 167.8 | 1.3 | 112.5 | L202 E206 Y210 Q211 A212 F241 D483 | L202-R208 HydrophobicContact CD1-CB 3.88Å; L202-R208 HydrophobicContact CD1-CG 3.95Å; E206-R208 PolarHBondContact O-N 3.2Å; E206-R208 VanDerWaalsContact O-N 3.17Å; R208-Y210 VanDerWaalsContact C-N 3.35Å; R208-Y210 PolarHBondContact O-N 3.01Å; R208-Q211 VanDerWaalsContact CD-OE1 3.22Å; R208-Q211 PolarHBondContact O-N 3.29Å; R208-A212 PolarHBondContact O-N 3.12Å; R208-F241 HydrophobicContact CG-CZ 4.26Å; R208-F241 PolarHBondContact NH2-O 3.42Å; R208-D483 IonicContact CZ-OD2 3.32Å; R208-D483 PolarHBondContact NE-O 3.45Å; R208-D483 IonicContact NE-OD2 3.56Å |
| 209 | G | 94.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 47.7 Ų | 47.7 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61 | -42.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V199 E206 Q207 A212 L213 | V199-G209 WeakPolarHBondContact CG2-O 3.3Å; E206-G209 PolarHBondContact O-N 2.86Å; E206-G209 VanDerWaalsContact O-N 3.07Å; Q207-G209 VanDerWaalsContact C-N 3.33Å; Q207-G209 PolarHBondContact O-N 3.37Å; G209-A212 PolarHBondContact O-N 3.35Å; G209-L213 PolarHBondContact O-N 2.85Å |
| 210 | Y | 93.9 | Very high | 93 | Very high | 73 Ų | 73 | 48.4 Ų | 48.4 | 29% | 0.286 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -67.5 | -41.6 | 174.2 | -79.1 | -81.6 | 0 | 0 | 0 | 112.5 | R10 E204 E206 Q207 R208 A212 L213 F214 | R10-Y210 HydrophobicContact CB-CE1 4.38Å; R10-Y210 HydrophobicContact CG-CE1 4.44Å; E204-Y210 WeakPolarHBondContact O-CE2 3.32Å; E206-Y210 PolarHBondContact O-N 3Å; Q207-Y210 PolarHBondContact O-N 2.81Å; R208-Y210 VanDerWaalsContact C-N 3.35Å; R208-Y210 PolarHBondContact O-N 3.01Å; Y210-A212 VanDerWaalsContact C-N 3.27Å; Y210-A212 PolarHBondContact O-N 2.6Å; Y210-L213 WeakPolarHBondContact O-CB 3.44Å; Y210-L213 PolarHBondContact O-N 2.79Å; Y210-L213 VanDerWaalsContact O-N 3.12Å; Y210-F214 HydrophobicContact CD1-CE2 4.21Å; Y210-F214 WeakPolarHBondContact O-CD2 3.16Å; Y210-F214 PolarHBondContact O-N 3.31Å |
| 211 | Q | 95.2 | Very high | 93 | Very high | 66 Ų | 66 | 47.9 Ų | 47.9 | 31% | 0.308 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -56.6 | -43.3 | 174.8 | -72 | 175.1 | -17.8 | 0 | 0 | 111.4 | Q207 R208 F214 T215 F241 | Q207-Q211 WeakPolarHBondContact O-CG 3.4Å; Q207-Q211 PolarHBondContact O-N 3.03Å; R208-Q211 VanDerWaalsContact CD-OE1 3.22Å; R208-Q211 PolarHBondContact O-N 3.29Å; Q211-F214 PolarHBondContact O-N 3.08Å; Q211-T215 VanDerWaalsContact O-CB 3.31Å; Q211-T215 WeakPolarHBondContact O-CB 3.26Å; Q211-T215 PolarHBondContact O-N 3.47Å; Q211-T215 PolarHBondContact O-OG1 2.75Å; Q211-F241 HydrophobicContact CB-CD2 4.4Å; Q211-F241 HydrophobicContact CB-CE2 3.83Å |
| 212 | A | 96.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.8 | -45.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L195 I198 V199 R208 G209 Y210 T215 A216 F241 | L195-A212 HydrophobicContact CD2-CB 3.95Å; I198-A212 HydrophobicContact CB-CB 4.1Å; I198-A212 HydrophobicContact CG2-CB 3.72Å; V199-A212 HydrophobicContact CG2-CB 3.88Å; R208-A212 PolarHBondContact O-N 3.12Å; G209-A212 PolarHBondContact O-N 3.35Å; Y210-A212 VanDerWaalsContact C-N 3.27Å; Y210-A212 PolarHBondContact O-N 2.6Å; A212-T215 WeakPolarHBondContact O-CB 3.42Å; A212-T215 PolarHBondContact O-N 3.01Å; A212-A216 WeakPolarHBondContact O-CB 3.34Å; A212-A216 PolarHBondContact O-N 3.41Å; A212-F241 HydrophobicContact CB-CE1 4.33Å; A212-F241 HydrophobicContact CB-CE2 3.86Å; A212-F241 HydrophobicContact CB-CZ 3.62Å; A212-F241 VanDerWaalsContact N-CE2 3.34Å |
| 213 | L | 95.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 178.7 | -177.4 | 59.6 | 0 | 0 | 0 | 112.9 | R10 L13 L14 V199 G209 Y210 T215 N217 | R10-L213 HydrophobicContact CB-CD2 4.18Å; R10-L213 HydrophobicContact CG-CD2 3.67Å; L13-L213 HydrophobicContact CB-CD1 3.59Å; L13-L213 HydrophobicContact CB-CD2 4.1Å; L13-L213 HydrophobicContact CB-CG 3.86Å; L13-L213 HydrophobicContact CD1-CD2 4.26Å; L13-L213 HydrophobicContact CD1-CG 4.01Å; L14-L213 HydrophobicContact CB-CD1 4.13Å; V199-L213 HydrophobicContact CG1-CB 4.24Å; V199-L213 HydrophobicContact CG1-CD1 4.2Å; V199-L213 HydrophobicContact CG2-CB 3.67Å; V199-L213 HydrophobicContact CG2-CD1 4.23Å; G209-L213 PolarHBondContact O-N 2.85Å; Y210-L213 WeakPolarHBondContact O-CB 3.44Å; Y210-L213 PolarHBondContact O-N 2.79Å; Y210-L213 VanDerWaalsContact O-N 3.12Å; L213-T215 VanDerWaalsContact C-N 3.33Å; L213-N217 WeakPolarHBondContact O-CB 3.37Å; L213-N217 PolarHBondContact O-N 3.39Å |
| 214 | F | 94.8 | Very high | 94.2 | Very high | 90 Ų | 90 | 49.2 Ų | 49.2 | 40% | 0.395 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.4 | -38.5 | 177.3 | -79.7 | -78 | 0 | 0 | 0 | 111 | K8 L13 Y210 Q211 N217 E218 | K8-F214 HydrophobicContact CB-CE1 4.12Å; K8-F214 HydrophobicContact CD-CD1 4.12Å; K8-F214 HydrophobicContact CD-CE1 3.73Å; K8-F214 HydrophobicContact CG-CE1 4.13Å; L13-F214 HydrophobicContact CD1-CD1 4.47Å; L13-F214 HydrophobicContact CD1-CE1 4.42Å; Y210-F214 HydrophobicContact CD1-CE2 4.21Å; Y210-F214 WeakPolarHBondContact O-CD2 3.16Å; Y210-F214 PolarHBondContact O-N 3.31Å; Q211-F214 PolarHBondContact O-N 3.08Å; F214-N217 PolarHBondContact O-N 2.78Å; F214-E218 WeakPolarHBondContact O-CG 3.41Å; F214-E218 PolarHBondContact O-N 2.98Å |
| 215 | T | 96.9 | Very high | 94.8 | Very high | 26 Ų | 26 | 44 Ų | 44 | 16% | 0.16 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -61.7 | -51.4 | 175.5 | -58.9 | 0 | 0 | 0 | 0 | 110.6 | L195 Q211 A212 L213 N217 E218 M219 L237 F241 | L195-T215 HydrophobicContact CD1-CG2 4.02Å; L195-T215 HydrophobicContact CD2-CG2 4.48Å; Q211-T215 VanDerWaalsContact O-CB 3.31Å; Q211-T215 WeakPolarHBondContact O-CB 3.26Å; Q211-T215 PolarHBondContact O-N 3.47Å; Q211-T215 PolarHBondContact O-OG1 2.75Å; A212-T215 WeakPolarHBondContact O-CB 3.42Å; A212-T215 PolarHBondContact O-N 3.01Å; L213-T215 VanDerWaalsContact C-N 3.33Å; T215-N217 VanDerWaalsContact C-N 3.31Å; T215-N217 PolarHBondContact O-N 2.87Å; T215-E218 PolarHBondContact O-N 3.1Å; T215-E218 VanDerWaalsContact O-N 3.16Å; T215-M219 HydrophobicContact CG2-SD 4.12Å; T215-M219 WeakPolarHBondContact O-CG 3.39Å; T215-M219 PolarHBondContact O-N 2.68Å; T215-L237 HydrophobicContact CG2-CB 4.22Å; T215-F241 HydrophobicContact CG2-CB 4Å; T215-F241 HydrophobicContact CG2-CG 4.5Å |
| 216 | A | 97.1 | Very high | 95.3 | Very high | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.6 | -44.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | A17 L195 A212 E218 M219 V220 | A17-A216 HydrophobicContact CB-CB 4.36Å; L195-A216 HydrophobicContact CB-CB 4.24Å; L195-A216 HydrophobicContact CD1-CB 4.32Å; A212-A216 WeakPolarHBondContact O-CB 3.34Å; A212-A216 PolarHBondContact O-N 3.41Å; A216-E218 PolarHBondContact O-N 2.84Å; A216-M219 WeakPolarHBondContact O-CB 2.73Å; A216-M219 PolarHBondContact O-N 2.82Å; A216-V220 WeakPolarHBondContact O-CG2 3.27Å; A216-V220 PolarHBondContact O-N 3.36Å |
| 217 | N | 96.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.027 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.2 | -43.2 | 176.6 | 177.6 | 80.7 | 0 | 0 | 0 | 113 | K8 L13 R16 L213 F214 T215 M219 V220 N221 | K8-N217 PolarHBondContact NZ-ND2 2.94Å; L13-N217 HydrophobicContact CD1-CB 4.15Å; L13-N217 HydrophobicContact CD2-CB 4.28Å; L13-N217 VanDerWaalsContact CD2-OD1 3.26Å; L13-N217 WeakPolarHBondContact CD2-OD1 3.43Å; R16-N217 PolarHBondContact NH1-OD1 3.04Å; L213-N217 WeakPolarHBondContact O-CB 3.37Å; L213-N217 PolarHBondContact O-N 3.39Å; F214-N217 PolarHBondContact O-N 2.78Å; T215-N217 VanDerWaalsContact C-N 3.31Å; T215-N217 PolarHBondContact O-N 2.87Å; N217-M219 VanDerWaalsContact C-N 3.33Å; N217-V220 PolarHBondContact O-N 3.21Å; N217-N221 PolarHBondContact ND2-ND2 2.97Å; N217-N221 PolarHBondContact O-N 3.29Å; N217-N221 PolarHBondContact O-OD1 3.1Å |
| 218 | E | 96.4 | Very high | 95.4 | Very high | 65 Ų | 65 | 42.1 Ų | 42.1 | 30% | 0.304 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -68.8 | -33.3 | 176.9 | -68 | -45.1 | 125.2 | 0 | 0 | 112 | K8 F214 T215 A216 N221 L222 L237 | K8-E218 IonicContact NZ-OE1 3.4Å; K8-E218 PolarHBondContact NZ-OE1 3.28Å; F214-E218 WeakPolarHBondContact O-CG 3.41Å; F214-E218 PolarHBondContact O-N 2.98Å; T215-E218 PolarHBondContact O-N 3.1Å; T215-E218 VanDerWaalsContact O-N 3.16Å; A216-E218 PolarHBondContact O-N 2.84Å; E218-N221 VanDerWaalsContact CD-ND2 3.33Å; E218-N221 WeakPolarHBondContact O-CB 3.49Å; E218-N221 PolarHBondContact O-N 3.41Å; E218-N221 PolarHBondContact OE1-ND2 2.92Å; E218-N221 PolarHBondContact OE2-ND2 3.08Å; E218-L222 WeakPolarHBondContact O-CG 3.34Å; E218-L222 PolarHBondContact O-N 3.24Å; E218-L222 VanDerWaalsContact O-N 3.11Å; E218-L237 HydrophobicContact CB-CD1 3.74Å |
| 219 | M | 97.7 | Very high | 95.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -60.9 | -45 | 169.5 | -69.2 | 170.2 | 63.7 | 0 | 0 | 111.1 | L188 E191 F192 L195 T215 A216 N217 N221 L222 C223 A234 L237 A238 | L188-M219 HydrophobicContact CD2-CE 4.44Å; E191-M219 HydrophobicContact CB-CE 4.21Å; F192-M219 HydrophobicContact CD1-CB 4.48Å; F192-M219 HydrophobicContact CD1-CE 4.15Å; F192-M219 HydrophobicContact CD2-CE 4Å; F192-M219 HydrophobicContact CE1-CB 3.45Å; F192-M219 VanDerWaalsContact CE1-CB 3.45Å; F192-M219 HydrophobicContact CE1-CE 4.03Å; F192-M219 HydrophobicContact CE1-SD 4.42Å; F192-M219 HydrophobicContact CE2-CB 4.33Å; F192-M219 HydrophobicContact CE2-CE 3.86Å; F192-M219 HydrophobicContact CG-CE 4.14Å; F192-M219 HydrophobicContact CZ-CB 3.37Å; F192-M219 HydrophobicContact CZ-CE 3.9Å; L195-M219 HydrophobicContact CD1-CE 4.29Å; L195-M219 HydrophobicContact CD1-SD 3.35Å; L195-M219 WeakPolarHBondContact CD1-SD 3.45Å; T215-M219 HydrophobicContact CG2-SD 4.12Å; T215-M219 WeakPolarHBondContact O-CG 3.39Å; T215-M219 PolarHBondContact O-N 2.68Å; A216-M219 WeakPolarHBondContact O-CB 2.73Å; A216-M219 PolarHBondContact O-N 2.82Å; N217-M219 VanDerWaalsContact C-N 3.33Å; M219-N221 PolarHBondContact O-N 3.01Å; M219-L222 PolarHBondContact O-N 3.01Å; M219-L222 VanDerWaalsContact O-N 3.17Å; M219-C223 WeakPolarHBondContact O-CB 3.19Å; M219-C223 PolarHBondContact O-N 2.88Å; M219-A234 HydrophobicContact CB-CB 4.22Å; M219-A234 HydrophobicContact CG-CB 4.3Å; M219-L237 HydrophobicContact CG-CB 3.74Å; M219-L237 HydrophobicContact CG-CD1 3.95Å; M219-A238 HydrophobicContact CE-CB 3.82Å; M219-A238 HydrophobicContact SD-CB 3.84Å |
| 220 | V | 97 | Very high | 95.4 | Very high | 16 Ų | 16 | 45.7 Ų | 45.7 | 10% | 0.097 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.9 | -32.8 | 174.9 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | R16 F20 F192 A216 N217 L222 | R16-V220 HydrophobicContact CG-CG1 4.42Å; F20-V220 HydrophobicContact CB-CG1 4.4Å; F20-V220 HydrophobicContact CB-CG2 4.07Å; F20-V220 HydrophobicContact CD1-CG1 4.46Å; F20-V220 HydrophobicContact CD1-CG2 3.86Å; F20-V220 HydrophobicContact CD2-CG1 3.91Å; F20-V220 HydrophobicContact CE1-CG2 4.45Å; F20-V220 HydrophobicContact CE2-CG1 4.26Å; F20-V220 HydrophobicContact CG-CG1 4.01Å; F20-V220 HydrophobicContact CG-CG2 3.95Å; F192-V220 HydrophobicContact CE1-CG2 3.62Å; F192-V220 HydrophobicContact CZ-CG2 4.07Å; A216-V220 WeakPolarHBondContact O-CG2 3.27Å; A216-V220 PolarHBondContact O-N 3.36Å; N217-V220 PolarHBondContact O-N 3.21Å; V220-L222 VanDerWaalsContact C-N 3.34Å |
| 221 | N | 95 | Very high | 95.5 | Very high | 77 Ų | 77 | 42.7 Ų | 42.7 | 41% | 0.412 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -67.9 | -33.4 | 176.6 | -70.4 | -18.1 | 0 | 0 | 0 | 113.2 | R16 N217 E218 M219 | R16-N221 PolarHBondContact NH1-OD1 3.07Å; R16-N221 PolarHBondContact NH2-OD1 3.29Å; N217-N221 PolarHBondContact ND2-ND2 2.97Å; N217-N221 PolarHBondContact O-N 3.29Å; N217-N221 PolarHBondContact O-OD1 3.1Å; E218-N221 VanDerWaalsContact CD-ND2 3.33Å; E218-N221 WeakPolarHBondContact O-CB 3.49Å; E218-N221 PolarHBondContact O-N 3.41Å; E218-N221 PolarHBondContact OE1-ND2 2.92Å; E218-N221 PolarHBondContact OE2-ND2 3.08Å; M219-N221 PolarHBondContact O-N 3.01Å |
| 222 | L | 96.1 | Very high | 95.6 | Very high | 74 Ų | 74 | 42.9 Ų | 42.9 | 39% | 0.387 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -100.3 | -23.9 | -172.9 | -64.5 | -180 | 0 | 0 | 0 | 113.6 | E218 M219 V220 D224 S230 K233 L237 | E218-L222 WeakPolarHBondContact O-CG 3.34Å; E218-L222 PolarHBondContact O-N 3.24Å; E218-L222 VanDerWaalsContact O-N 3.11Å; M219-L222 PolarHBondContact O-N 3.01Å; M219-L222 VanDerWaalsContact O-N 3.17Å; V220-L222 VanDerWaalsContact C-N 3.34Å; L222-D224 PolarHBondContact O-N 3.18Å; L222-S230 WeakPolarHBondContact O-CB 3.44Å; L222-K233 HydrophobicContact CB-CB 4.33Å; L222-K233 HydrophobicContact CD1-CB 4.16Å; L222-L237 HydrophobicContact CD1-CD1 3.74Å |
| 223 | C | 96.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 48.8 Ų | 48.8 | 3% | 0.034 | 26% | 0.262 | C | S | . | . | trans | -83.7 | 103 | 179.1 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | F20 M219 P225 A234 | F20-C223 HydrophobicContact CE1-CB 4.14Å; F20-C223 HydrophobicContact CZ-CB 4Å; F20-C223 WeakPolarHBondContact CZ-O 3.41Å; M219-C223 WeakPolarHBondContact O-CB 3.19Å; M219-C223 PolarHBondContact O-N 2.88Å; C223-P225 WeakPolarHBondContact O-CD 3.29Å; C223-A234 HydrophobicContact CB-CB 3.96Å | ||
| 224 | D | 96.1 | Very high | 95.6 | Very high | 75 Ų | 75 | 48.6 Ų | 48.6 | 40% | 0.401 | 26% | 0.262 | S | S | . | . | trans | -89 | 112 | 166.1 | -177.2 | -14.5 | 0 | 0 | 0 | 108.5 | L222 F226 D227 S230 F231 | L222-D224 PolarHBondContact O-N 3.18Å; D224-F226 PolarHBondContact O-N 3.07Å; D224-F226 PolarHBondContact OD1-N 3.2Å; D224-D227 HydrophobicContact CB-CB 4.13Å; D224-D227 PolarHBondContact O-N 3.32Å; D224-S230 PolarHBondContact N-OG 2.98Å; D224-S230 PolarHBondContact O-OG 2.85Å; D224-F231 WeakPolarHBondContact O-CE1 3.29Å | ||
| 225 | P | 94.8 | Very high | 95.7 | Very high | 16 Ų | 16 | 45.6 Ų | 45.6 | 10% | 0.104 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -20 | -179.9 | -27.6 | 38.9 | 0 | 0 | 0 | 114.6 | F20 C29 R34 C223 | F20-P225 HydrophobicContact CE2-CG 3.58Å; F20-P225 HydrophobicContact CZ-CG 3.67Å; C29-P225 WeakPolarHBondContact O-CG 3.36Å; R34-P225 HydrophobicContact CG-CB 3.8Å; C223-P225 WeakPolarHBondContact O-CD 3.29Å |
| 226 | F | 93.6 | Very high | 95.7 | Very high | 124 Ų | 124 | 47.5 Ų | 47.5 | 54% | 0.544 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -11.1 | -179.6 | -61.1 | -83.5 | 0 | 0 | 0 | 113.8 | C29 D224 | C29-F226 HydrophobicContact CB-CE2 4.09Å; C29-F226 HydrophobicContact CB-CZ 4.22Å; D224-F226 PolarHBondContact O-N 3.07Å; D224-F226 PolarHBondContact OD1-N 3.2Å |
| 227 | D | 94.3 | Very high | 95.8 | Very high | 66 Ų | 66 | 49.9 Ų | 49.9 | 35% | 0.353 | 28% | 0.275 | S | S | . | . | trans | -121 | 96.7 | 179.2 | 177.2 | 13.2 | 0 | 0 | 0 | 110.9 | D224 S229 S230 | D224-D227 HydrophobicContact CB-CB 4.13Å; D224-D227 PolarHBondContact O-N 3.32Å; D227-S229 PolarHBondContact O-N 3.27Å; D227-S229 VanDerWaalsContact OD1-CB 3.24Å; D227-S229 WeakPolarHBondContact OD1-CB 3.31Å; D227-S229 PolarHBondContact OD1-N 3.18Å; D227-S229 PolarHBondContact OD1-OG 2.85Å; D227-S229 PolarHBondContact OD2-OG 3.07Å; D227-S230 WeakPolarHBondContact O-CB 3.2Å; D227-S230 PolarHBondContact O-N 2.89Å; D227-S230 PolarHBondContact O-OG 3.44Å | ||
| 228 | P | 91.3 | Very high | 95.8 | Very high | 87 Ų | 87 | 49.6 Ų | 49.6 | 57% | 0.565 | 27% | 0.274 | S | S | * | . | G | 310 helix | trans | -57.1 | -22.4 | 177.4 | -26.9 | 35.3 | 0 | 0 | 0 | 114.7 | S230 F231 | P228-S230 PolarHBondContact O-N 3.38Å; P228-F231 HydrophobicContact CB-CD2 4.2Å; P228-F231 HydrophobicContact CB-CE2 4.04Å; P228-F231 HydrophobicContact CG-CE2 4.41Å; P228-F231 WeakPolarHBondContact O-CB 3.16Å; P228-F231 PolarHBondContact O-N 3.09Å |
| 229 | S | 93.6 | Very high | 95.9 | Very high | 83 Ų | 83 | 51.7 Ų | 51.7 | 58% | 0.58 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -66.2 | -22.2 | 177 | 81.9 | 0 | 0 | 0 | 0 | 112.4 | D227 S232 | D227-S229 PolarHBondContact O-N 3.27Å; D227-S229 VanDerWaalsContact OD1-CB 3.24Å; D227-S229 WeakPolarHBondContact OD1-CB 3.31Å; D227-S229 PolarHBondContact OD1-N 3.18Å; D227-S229 PolarHBondContact OD1-OG 2.85Å; D227-S229 PolarHBondContact OD2-OG 3.07Å; S229-S232 PolarHBondContact O-OG 3.18Å |
| 230 | S | 95 | Very high | 95.8 | Very high | 8 Ų | 8 | 56.4 Ų | 56.4 | 6% | 0.056 | 31% | 0.309 | C | S | . | . | G | 310 helix | trans | -73.6 | -26.4 | 177.7 | 80.6 | 0 | 0 | 0 | 0 | 113.5 | L222 D224 D227 P228 S232 K233 | L222-S230 WeakPolarHBondContact O-CB 3.44Å; D224-S230 PolarHBondContact N-OG 2.98Å; D224-S230 PolarHBondContact O-OG 2.85Å; D227-S230 WeakPolarHBondContact O-CB 3.2Å; D227-S230 PolarHBondContact O-N 2.89Å; D227-S230 PolarHBondContact O-OG 3.44Å; P228-S230 PolarHBondContact O-N 3.38Å; S230-S232 VanDerWaalsContact C-N 3.3Å; S230-S232 PolarHBondContact O-N 2.79Å; S230-K233 WeakPolarHBondContact O-CB 3.37Å; S230-K233 PolarHBondContact O-N 2.98Å; S230-K233 VanDerWaalsContact O-N 3.11Å |
| 231 | F | 96.7 | Very high | 95.9 | Very high | 9 Ų | 9 | 55.8 Ų | 55.8 | 4% | 0.039 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.2 | -36.4 | -171.7 | -64.3 | -8.7 | 0 | 0 | 0 | 113.1 | L31 D184 V185 L188 D224 P228 K233 A234 H235 | L31-F231 HydrophobicContact CD1-CE1 4.46Å; D184-F231 HydrophobicContact CB-CD2 3.93Å; D184-F231 HydrophobicContact CB-CE2 4.47Å; V185-F231 HydrophobicContact CG2-CE2 3.7Å; V185-F231 HydrophobicContact CG2-CZ 3.88Å; L188-F231 HydrophobicContact CD1-CB 3.79Å; L188-F231 HydrophobicContact CD1-CD1 3.62Å; L188-F231 HydrophobicContact CD1-CD2 4.09Å; L188-F231 HydrophobicContact CD1-CE1 4.2Å; L188-F231 HydrophobicContact CD1-CG 3.56Å; D224-F231 WeakPolarHBondContact O-CE1 3.29Å; P228-F231 HydrophobicContact CB-CD2 4.2Å; P228-F231 HydrophobicContact CB-CE2 4.04Å; P228-F231 HydrophobicContact CG-CE2 4.41Å; P228-F231 WeakPolarHBondContact O-CB 3.16Å; P228-F231 PolarHBondContact O-N 3.09Å; F231-K233 PolarHBondContact O-N 2.88Å; F231-A234 PolarHBondContact O-N 2.92Å; F231-A234 VanDerWaalsContact O-N 3.11Å; F231-H235 PolarHBondContact O-CD2 3.43Å; F231-H235 VanDerWaalsContact O-CD2 3.3Å; F231-H235 PolarHBondContact O-N 2.91Å |
| 232 | S | 96.3 | Very high | 96 | Very high | 71 Ų | 71 | 52.5 Ų | 52.5 | 50% | 0.497 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -55.1 | -35.2 | 177.9 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | S229 S230 S236 | S229-S232 PolarHBondContact O-OG 3.18Å; S230-S232 VanDerWaalsContact C-N 3.3Å; S230-S232 PolarHBondContact O-N 2.79Å; S232-S236 WeakPolarHBondContact O-CB 3.33Å; S232-S236 PolarHBondContact O-N 2.83Å; S232-S236 PolarHBondContact O-OG 3.29Å |
| 233 | K | 95.6 | Very high | 96 | Very high | 123 Ų | 123 | 53.2 Ų | 53.2 | 54% | 0.535 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -72.8 | -41.9 | 179.2 | -61.4 | 176 | -175.3 | 166.7 | 0 | 111.4 | L222 S230 F231 S236 L237 | L222-K233 HydrophobicContact CB-CB 4.33Å; L222-K233 HydrophobicContact CD1-CB 4.16Å; S230-K233 WeakPolarHBondContact O-CB 3.37Å; S230-K233 PolarHBondContact O-N 2.98Å; S230-K233 VanDerWaalsContact O-N 3.11Å; F231-K233 PolarHBondContact O-N 2.88Å; K233-S236 PolarHBondContact O-N 2.69Å; K233-L237 PolarHBondContact O-N 3.02Å |
| 234 | A | 96.9 | Very high | 96 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.3 | -44.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | L188 M219 C223 F231 S236 L237 A238 | L188-A234 HydrophobicContact CD2-CB 3.75Å; M219-A234 HydrophobicContact CB-CB 4.22Å; M219-A234 HydrophobicContact CG-CB 4.3Å; C223-A234 HydrophobicContact CB-CB 3.96Å; F231-A234 PolarHBondContact O-N 2.92Å; F231-A234 VanDerWaalsContact O-N 3.11Å; A234-S236 VanDerWaalsContact C-N 3.28Å; A234-S236 PolarHBondContact O-N 3.43Å; A234-L237 WeakPolarHBondContact O-CB 3.38Å; A234-L237 PolarHBondContact O-N 3.11Å; A234-L237 VanDerWaalsContact O-N 3.11Å; A234-A238 PolarHBondContact O-N 2.85Å; A234-A238 VanDerWaalsContact O-N 3.07Å |
| 235 | H | 97 | Very high | 96 | Very high | 26 Ų | 26 | 62.7 Ų | 62.7 | 12% | 0.12 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.5 | -41.7 | 172.7 | -76.8 | -50.2 | 0 | 0 | 0 | 112.4 | L188 E191 F231 L237 A238 H239 | L188-H235 VanDerWaalsContact CD2-CE1 3.42Å; L188-H235 WeakPolarHBondContact CD2-CE1 3.42Å; L188-H235 WeakPolarHBondContact CD2-ND1 3.33Å; L188-H235 WeakPolarHBondContact CG-CE1 3.36Å; E191-H235 VanDerWaalsContact CD-ND1 3.29Å; E191-H235 IonicContact OE1-CE1 2.82Å; E191-H235 IonicContact OE1-ND1 3.56Å; E191-H235 PolarHBondContact OE1-ND1 3.31Å; E191-H235 IonicContact OE2-CE1 3.74Å; E191-H235 IonicContact OE2-CG 2.81Å; E191-H235 IonicContact OE2-ND1 3.55Å; E191-H235 PolarHBondContact OE2-ND1 3.13Å; F231-H235 PolarHBondContact O-CD2 3.43Å; F231-H235 VanDerWaalsContact O-CD2 3.3Å; F231-H235 PolarHBondContact O-N 2.91Å; H235-L237 VanDerWaalsContact C-N 3.29Å; H235-L237 PolarHBondContact O-N 3.13Å; H235-A238 PolarHBondContact O-N 3.12Å; H235-H239 WeakPolarHBondContact O-CB 3.43Å; H235-H239 PolarHBondContact O-N 3.31Å |
| 236 | S | 97.4 | Very high | 95.9 | Very high | 66 Ų | 66 | 62.7 Ų | 62.7 | 46% | 0.462 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.7 | -38 | 178.6 | -61.4 | 0 | 0 | 0 | 0 | 112 | S232 K233 A234 N240 | S232-S236 WeakPolarHBondContact O-CB 3.33Å; S232-S236 PolarHBondContact O-N 2.83Å; S232-S236 PolarHBondContact O-OG 3.29Å; K233-S236 PolarHBondContact O-N 2.69Å; A234-S236 VanDerWaalsContact C-N 3.28Å; A234-S236 PolarHBondContact O-N 3.43Å; S236-N240 WeakPolarHBondContact O-CB 3.34Å; S236-N240 PolarHBondContact O-N 3.24Å; S236-N240 PolarHBondContact O-ND2 3.02Å; S236-N240 PolarHBondContact O-OD1 3.39Å |
| 237 | L | 97.9 | Very high | 95.9 | Very high | 51 Ų | 51 | 59 Ų | 59 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.3 | -48.7 | 175.3 | -70.3 | 177.1 | 0 | 0 | 0 | 111.8 | T215 E218 M219 L222 K233 A234 H235 H239 N240 F241 | T215-L237 HydrophobicContact CG2-CB 4.22Å; E218-L237 HydrophobicContact CB-CD1 3.74Å; M219-L237 HydrophobicContact CG-CB 3.74Å; M219-L237 HydrophobicContact CG-CD1 3.95Å; L222-L237 HydrophobicContact CD1-CD1 3.74Å; K233-L237 PolarHBondContact O-N 3.02Å; A234-L237 WeakPolarHBondContact O-CB 3.38Å; A234-L237 PolarHBondContact O-N 3.11Å; A234-L237 VanDerWaalsContact O-N 3.11Å; H235-L237 VanDerWaalsContact C-N 3.29Å; H235-L237 PolarHBondContact O-N 3.13Å; L237-H239 PolarHBondContact O-N 3.4Å; L237-N240 PolarHBondContact O-N 3.33Å; L237-F241 PolarHBondContact O-N 3.04Å; L237-F241 VanDerWaalsContact O-N 3.09Å |
| 238 | A | 97.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.7 | -49 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | E191 M219 A234 H235 N240 F241 F242 | E191-A238 HydrophobicContact CB-CB 3.9Å; E191-A238 HydrophobicContact CG-CB 3.95Å; E191-A238 WeakPolarHBondContact OE2-CB 3.44Å; M219-A238 HydrophobicContact CE-CB 3.82Å; M219-A238 HydrophobicContact SD-CB 3.84Å; A234-A238 PolarHBondContact O-N 2.85Å; A234-A238 VanDerWaalsContact O-N 3.07Å; H235-A238 PolarHBondContact O-N 3.12Å; A238-N240 VanDerWaalsContact C-N 3.33Å; A238-N240 PolarHBondContact O-N 3.45Å; A238-F241 WeakPolarHBondContact O-CA 3.42Å; A238-F241 WeakPolarHBondContact O-CB 3.42Å; A238-F241 PolarHBondContact O-N 3.38Å; A238-F242 HydrophobicContact CB-CD2 4.23Å; A238-F242 HydrophobicContact CB-CE2 4.2Å; A238-F242 WeakPolarHBondContact O-CD2 3.5Å; A238-F242 PolarHBondContact O-N 3.25Å |
| 239 | H | 97 | Very high | 95.5 | Very high | 108 Ų | 108 | 64.1 Ų | 64.1 | 50% | 0.5 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58 | -42.8 | 178.7 | 178.9 | -96.7 | 0 | 0 | 0 | 112.3 | H235 L237 F241 N243 | H235-H239 WeakPolarHBondContact O-CB 3.43Å; H235-H239 PolarHBondContact O-N 3.31Å; L237-H239 PolarHBondContact O-N 3.4Å; H239-F241 VanDerWaalsContact C-N 3.28Å; H239-F241 PolarHBondContact O-N 3.36Å; H239-N243 PolarHBondContact CD2-ND2 2.85Å; H239-N243 PolarHBondContact CE1-ND2 3.46Å; H239-N243 PolarHBondContact ND1-ND2 3.07Å; H239-N243 VanDerWaalsContact ND1-ND2 3.14Å; H239-N243 PolarHBondContact NE2-ND2 2.79Å; H239-N243 VanDerWaalsContact O-CB 3.25Å; H239-N243 WeakPolarHBondContact O-CB 3.46Å; H239-N243 PolarHBondContact O-N 3.12Å; H239-N243 PolarHBondContact O-ND2 3.2Å |
| 240 | N | 97.6 | Very high | 95.5 | Very high | 99 Ų | 99 | 62.7 Ų | 62.7 | 53% | 0.529 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -66.5 | -30.3 | 176.1 | -71.6 | -16.1 | 0 | 0 | 0 | 112.7 | S236 L237 A238 Q244 | S236-N240 WeakPolarHBondContact O-CB 3.34Å; S236-N240 PolarHBondContact O-N 3.24Å; S236-N240 PolarHBondContact O-ND2 3.02Å; S236-N240 PolarHBondContact O-OD1 3.39Å; L237-N240 PolarHBondContact O-N 3.33Å; A238-N240 VanDerWaalsContact C-N 3.33Å; A238-N240 PolarHBondContact O-N 3.45Å; N240-Q244 PolarHBondContact O-NE2 3.11Å |
| 241 | F | 97.4 | Very high | 95.6 | Very high | 4 Ų | 4 | 62.9 Ų | 62.9 | 2% | 0.018 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -71.6 | -55.6 | 173.3 | -179.1 | -86.6 | 0 | 0 | 0 | 111 | L195 I198 R208 Q211 A212 T215 L237 A238 H239 N243 Q244 T482 | L195-F241 HydrophobicContact CD2-CB 4.46Å; L195-F241 HydrophobicContact CD2-CD1 3.41Å; L195-F241 VanDerWaalsContact CD2-CD1 3.41Å; L195-F241 HydrophobicContact CD2-CD2 4.34Å; L195-F241 HydrophobicContact CD2-CE1 3.64Å; L195-F241 HydrophobicContact CD2-CG 3.8Å; L195-F241 HydrophobicContact CD2-CZ 4.21Å; I198-F241 HydrophobicContact CD1-CE1 3.68Å; I198-F241 HydrophobicContact CD1-CZ 4.27Å; I198-F241 HydrophobicContact CG2-CZ 4.47Å; R208-F241 HydrophobicContact CG-CZ 4.26Å; R208-F241 PolarHBondContact NH2-O 3.42Å; Q211-F241 HydrophobicContact CB-CD2 4.4Å; Q211-F241 HydrophobicContact CB-CE2 3.83Å; A212-F241 HydrophobicContact CB-CE1 4.33Å; A212-F241 HydrophobicContact CB-CE2 3.86Å; A212-F241 HydrophobicContact CB-CZ 3.62Å; A212-F241 VanDerWaalsContact N-CE2 3.34Å; T215-F241 HydrophobicContact CG2-CB 4Å; T215-F241 HydrophobicContact CG2-CG 4.5Å; L237-F241 PolarHBondContact O-N 3.04Å; L237-F241 VanDerWaalsContact O-N 3.09Å; A238-F241 WeakPolarHBondContact O-CA 3.42Å; A238-F241 WeakPolarHBondContact O-CB 3.42Å; A238-F241 PolarHBondContact O-N 3.38Å; H239-F241 VanDerWaalsContact C-N 3.28Å; H239-F241 PolarHBondContact O-N 3.36Å; F241-N243 VanDerWaalsContact C-N 3.33Å; F241-N243 PolarHBondContact O-N 3.21Å; F241-Q244 PolarHBondContact O-N 3.37Å; F241-T482 HydrophobicContact CE1-CG2 4.34Å |
| 242 | F | 97.1 | Very high | 95.7 | Very high | 8 Ų | 8 | 63.5 Ų | 63.5 | 4% | 0.035 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.8 | -27.2 | -175.1 | -70.4 | -64.7 | 0 | 0 | 0 | 113.8 | E191 M194 L195 I198 A238 Q244 L478 V479 T482 | E191-F242 HydrophobicContact CB-CE2 4.37Å; E191-F242 HydrophobicContact CG-CE2 4.47Å; M194-F242 HydrophobicContact CB-CE1 4.23Å; M194-F242 HydrophobicContact CB-CZ 3.79Å; L195-F242 HydrophobicContact CD2-CE2 4.36Å; L195-F242 HydrophobicContact CD2-CZ 4.05Å; L195-F242 HydrophobicContact CG-CE2 4.12Å; L195-F242 HydrophobicContact CG-CZ 3.88Å; I198-F242 HydrophobicContact CD1-CE1 3.97Å; A238-F242 HydrophobicContact CB-CD2 4.23Å; A238-F242 HydrophobicContact CB-CE2 4.2Å; A238-F242 WeakPolarHBondContact O-CD2 3.5Å; A238-F242 PolarHBondContact O-N 3.25Å; F242-Q244 VanDerWaalsContact C-N 3.32Å; F242-Q244 PolarHBondContact O-N 2.93Å; F242-L478 HydrophobicContact CD2-CD2 4.28Å; F242-V479 HydrophobicContact CD1-CG1 4.14Å; F242-V479 HydrophobicContact CE1-CG1 4.05Å; F242-T482 HydrophobicContact CD1-CG2 4.02Å; F242-T482 PolarHBondContact O-OG1 3.23Å |
| 243 | N | 96.6 | Very high | 95.7 | Very high | 88 Ų | 88 | 60.1 Ų | 60.1 | 47% | 0.471 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -3.1 | 178.7 | -79.4 | -34.2 | 0 | 0 | 0 | 115.8 | H239 F241 R245 | H239-N243 PolarHBondContact CD2-ND2 2.85Å; H239-N243 PolarHBondContact CE1-ND2 3.46Å; H239-N243 PolarHBondContact ND1-ND2 3.07Å; H239-N243 VanDerWaalsContact ND1-ND2 3.14Å; H239-N243 PolarHBondContact NE2-ND2 2.79Å; H239-N243 VanDerWaalsContact O-CB 3.25Å; H239-N243 WeakPolarHBondContact O-CB 3.46Å; H239-N243 PolarHBondContact O-N 3.12Å; H239-N243 PolarHBondContact O-ND2 3.2Å; F241-N243 VanDerWaalsContact C-N 3.33Å; F241-N243 PolarHBondContact O-N 3.21Å; N243-R245 PolarHBondContact O-N 2.82Å |
| 244 | Q | 96.6 | Very high | 95.9 | Very high | 82 Ų | 82 | 54.3 Ų | 54.3 | 38% | 0.383 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -70.1 | 119.2 | 169.9 | -71.1 | 168.1 | 54 | 0 | 0 | 107.8 | N240 F241 F242 T482 D483 | N240-Q244 PolarHBondContact O-NE2 3.11Å; F241-Q244 PolarHBondContact O-N 3.37Å; F242-Q244 VanDerWaalsContact C-N 3.32Å; F242-Q244 PolarHBondContact O-N 2.93Å; Q244-T482 CarbonylContact O-C 3.54Å; Q244-T482 WeakPolarHBondContact O-CA 3.24Å; Q244-D483 HydrophobicContact CB-CB 4.22Å; Q244-D483 WeakPolarHBondContact O-CB 3.18Å; Q244-D483 PolarHBondContact O-N 2.59Å |
| 245 | R | 95.6 | Very high | 95.9 | Very high | 197 Ų | 197 | 54.3 Ų | 54.3 | 74% | 0.743 | 29% | 0.291 | S | S | * | . | P | Polyproline II helix | trans | -89.5 | 153.6 | -168.8 | -64.9 | -172.2 | -177.4 | -177 | -2.3 | 113.4 | N243 D481 | N243-R245 PolarHBondContact O-N 2.82Å; R245-D481 WeakPolarHBondContact CA-O 3.11Å |
| 246 | N | 94.1 | Very high | 96 | Very high | 16 Ų | 16 | 53.1 Ų | 53.1 | 9% | 0.086 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 164.1 | 172.3 | -66.9 | -74.2 | 0 | 0 | 0 | 112.4 | Q250 D481 T482 D483 G484 L485 K487 | N246-Q250 HydrophobicContact CB-CB 3.71Å; N246-Q250 HydrophobicContact CB-CG 3.82Å; N246-D481 VanDerWaalsContact CB-OD1 3.24Å; N246-D481 WeakPolarHBondContact CB-OD1 3.34Å; N246-D481 PolarHBondContact N-OD1 3.48Å; N246-D481 PolarHBondContact ND2-OD1 3.13Å; N246-T482 VanDerWaalsContact ND2-C 3.25Å; N246-T482 PolarHBondContact ND2-N 2.99Å; N246-T482 PolarHBondContact ND2-O 3.38Å; N246-T482 PolarHBondContact OD1-O 2.7Å; N246-D483 VanDerWaalsContact OD1-CA 3.31Å; N246-D483 WeakPolarHBondContact OD1-CA 3.41Å; N246-G484 PolarHBondContact OD1-N 3.47Å; N246-L485 PolarHBondContact ND2-O 3.17Å; N246-L485 PolarHBondContact OD1-O 2.79Å; N246-L485 VanDerWaalsContact OD1-O 3.1Å; N246-K487 HydrophobicContact CB-CG 4.44Å |
| 247 | G | 91.9 | Very high | 96 | Very high | 46 Ų | 46 | 50 Ų | 50 | 47% | 0.474 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 172.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | S249 Q250 K487 | G247-S249 VanDerWaalsContact C-N 3.33Å; G247-S249 PolarHBondContact O-N 2.93Å; G247-Q250 PolarHBondContact O-N 3.41Å; G247-K487 WeakPolarHBondContact O-CE 3.4Å; G247-K487 PolarHBondContact O-NZ 2.8Å |
| 248 | D | 88.4 | Confident | 96 | Very high | 157 Ų | 157 | 47.6 Ų | 47.6 | 84% | 0.84 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -29.1 | -176.3 | -67.5 | -28.6 | 0 | 0 | 0 | 113.7 | Q250 | D248-Q250 PolarHBondContact O-N 3.27Š|
| 249 | S | 89.3 | Confident | 95.8 | Very high | 104 Ų | 104 | 47.7 Ų | 47.7 | 73% | 0.727 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.3 | -3 | -178.4 | 57.8 | 0 | 0 | 0 | 0 | 114.6 | G247 N453 | G247-S249 VanDerWaalsContact C-N 3.33Å; G247-S249 PolarHBondContact O-N 2.93Å; S249-N453 PolarHBondContact O-ND2 3.1Å |
| 250 | Q | 94.6 | Very high | 95.8 | Very high | 54 Ų | 54 | 42.5 Ų | 42.5 | 25% | 0.252 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -67 | 139.2 | -174.8 | -166 | 66.3 | 10.4 | 0 | 0 | 112 | N246 G247 D248 N453 L485 K487 | N246-Q250 HydrophobicContact CB-CB 3.71Å; N246-Q250 HydrophobicContact CB-CG 3.82Å; G247-Q250 PolarHBondContact O-N 3.41Å; D248-Q250 PolarHBondContact O-N 3.27Å; Q250-N453 PolarHBondContact O-ND2 3.35Å; Q250-L485 WeakPolarHBondContact CG-O 3.21Å; Q250-L485 VanDerWaalsContact NE2-C 3.27Å; Q250-L485 PolarHBondContact NE2-O 3.13Å; Q250-K487 HydrophobicContact CB-CD 4.42Å; Q250-K487 HydrophobicContact CB-CG 4.29Å; Q250-K487 HydrophobicContact CG-CG 4.34Å |
| 251 | H | 96.7 | Very high | 95.8 | Very high | 12 Ų | 12 | 37.9 Ų | 37.9 | 6% | 0.056 | 20% | 0.202 | C | C | . | . | trans | -58.8 | 139.8 | 177.7 | -167.1 | 76 | 0 | 0 | 0 | 112.1 | V443 N453 H454 S455 P486 K487 | H251-V443 HydrophobicContact CB-CG1 4.39Å; H251-V443 HydrophobicContact CB-CG2 4.08Å; H251-N453 VanDerWaalsContact CA-OD1 3.26Å; H251-N453 WeakPolarHBondContact CA-OD1 3.39Å; H251-N453 PolarHBondContact CE1-O 3.42Å; H251-N453 VanDerWaalsContact ND1-C 3.27Å; H251-N453 PolarHBondContact ND1-O 3.39Å; H251-N453 VanDerWaalsContact ND1-O 3.13Å; H251-N453 PolarHBondContact ND1-OD1 3.34Å; H251-H454 PolarHBondContact CE1-N 3.09Å; H251-S455 WeakPolarHBondContact NE2-CB 3.35Å; H251-S455 PolarHBondContact NE2-OG 2.92Å; H251-P486 HydrophobicContact CB-CB 4.49Å; H251-P486 CarbonylContact O-C 3.57Å; H251-P486 WeakPolarHBondContact O-CA 3.04Å; H251-P486 WeakPolarHBondContact O-CB 3.28Å; H251-K487 PolarHBondContact O-N 3.31Å | ||
| 252 | T | 97.5 | Very high | 95.8 | Very high | 22 Ų | 22 | 37.8 Ų | 37.8 | 14% | 0.135 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 118.9 | -178.7 | -60.2 | 0 | 0 | 0 | 0 | 111.4 | N453 H454 S455 K487 Q489 | T252-N453 PolarHBondContact N-O 3.08Å; T252-H454 WeakPolarHBondContact O-CA 3.48Å; T252-S455 PolarHBondContact O-N 3.49Å; T252-K487 CarbonylContact C-O 3.6Å; T252-Q489 HydrophobicContact CG2-CG 4.16Å |
| 253 | V | 98.1 | Very high | 95.8 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 119.5 | 174.3 | 177 | 0 | 0 | 0 | 0 | 109.7 | A255 L439 T442 S455 A457 P486 K487 V488 Q489 | V253-A255 PolarHBondContact O-N 2.71Å; V253-L439 HydrophobicContact CG1-CD2 4.12Å; V253-T442 HydrophobicContact CG2-CG2 3.95Å; V253-S455 CarbonylContact C-O 3.57Å; V253-S455 WeakPolarHBondContact CA-O 3.37Å; V253-A457 HydrophobicContact CG1-CB 3.34Å; V253-P486 HydrophobicContact CG2-CB 3.83Å; V253-P486 HydrophobicContact CG2-CG 4.08Å; V253-K487 PolarHBondContact N-O 3.05Å; V253-V488 HydrophobicContact CB-CG2 4.43Å; V253-Q489 PolarHBondContact O-N 3Å |
| 254 | H | 98.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 95.3 | 175.3 | -70.5 | -106.4 | 0 | 0 | 0 | 108.9 | H454 S455 A457 Q489 S491 L496 | H254-H454 AromaticContact CD2-ND1 3.87Å; H254-H454 AromaticContact CE1-ND1 4Å; H254-H454 AromaticContact NE2-CG 3.76Å; H254-H454 AromaticContact NE2-ND1 2.97Å; H254-H454 PolarHBondContact NE2-ND1 3.41Å; H254-S455 PolarHBondContact N-O 2.84Å; H254-A457 PolarHBondContact O-N 2.73Å; H254-Q489 PolarHBondContact CE1-NE2 3.43Å; H254-Q489 PolarHBondContact ND1-NE2 2.94Å; H254-Q489 PolarHBondContact NE2-NE2 2.84Å; H254-S491 WeakPolarHBondContact ND1-CB 3.13Å; H254-S491 PolarHBondContact ND1-OG 2.91Å; H254-L496 HydrophobicContact CB-CB 4.3Å; H254-L496 HydrophobicContact CB-CD1 4.05Å |
| 255 | A | 98.3 | Very high | 95.9 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 132.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | V253 A457 F459 L476 V488 Q489 M490 S491 | V253-A255 PolarHBondContact O-N 2.71Å; A255-A457 CarbonylContact C-O 3.57Å; A255-A457 VanDerWaalsContact CA-O 3.27Å; A255-A457 WeakPolarHBondContact CA-O 3.24Å; A255-A457 HydrophobicContact CB-CB 4.44Å; A255-F459 HydrophobicContact CB-CD1 4.23Å; A255-F459 HydrophobicContact CB-CE1 4.25Å; A255-L476 HydrophobicContact CB-CD1 4.12Å; A255-V488 HydrophobicContact CB-CG1 4.06Å; A255-Q489 PolarHBondContact N-O 2.88Å; A255-M490 HydrophobicContact CB-CE 3.35Å; A255-M490 WeakPolarHBondContact O-CA 3.05Å; A255-M490 VanDerWaalsContact O-SD 3.42Å; A255-S491 PolarHBondContact O-N 2.98Å |
| 256 | M | 98.1 | Very high | 96 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 128.7 | -178.6 | -73.2 | 166.2 | -72.5 | 0 | 0 | 109.1 | H258 T296 W369 A456 A457 L458 F459 S491 P493 L496 | M256-H258 PolarHBondContact O-N 2.83Å; M256-T296 HydrophobicContact CB-CG2 4.36Å; M256-T296 HydrophobicContact SD-CG2 4.36Å; M256-W369 HydrophobicContact CE-CH2 4.25Å; M256-W369 HydrophobicContact SD-CH2 4.22Å; M256-A456 HydrophobicContact CE-CB 4.03Å; M256-A457 PolarHBondContact N-O 3.31Å; M256-L458 HydrophobicContact CB-CD2 4.05Å; M256-L458 HydrophobicContact CE-CD2 3.93Å; M256-L458 WeakPolarHBondContact O-CA 3.24Å; M256-F459 VanDerWaalsContact C-CD1 3.4Å; M256-F459 WeakPolarHBondContact O-CD1 3.5Å; M256-F459 WeakPolarHBondContact O-CE1 3.17Å; M256-F459 PolarHBondContact O-N 2.84Å; M256-S491 WeakPolarHBondContact CG-O 3.07Å; M256-P493 HydrophobicContact SD-CG 3.99Å; M256-L496 HydrophobicContact CE-CD2 4.09Å |
| 257 | G | 98.1 | Very high | 96.2 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 135.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | V294 F295 T296 F459 | G257-V294 PolarHBondContact N-O 3.49Å; G257-F295 CarbonylContact O-C 3.6Å; G257-F295 VanDerWaalsContact O-CA 3.31Å; G257-F295 WeakPolarHBondContact O-CA 3.45Å; G257-F295 WeakPolarHBondContact O-CD2 3.47Å; G257-T296 PolarHBondContact O-N 2.92Å; G257-T296 PolarHBondContact O-OG1 2.96Å; G257-T296 VanDerWaalsContact O-OG1 3.1Å; G257-F459 CarbonylContact C-O 3.59Å; G257-F459 WeakPolarHBondContact CA-O 3.38Å |
| 258 | H | 96.7 | Very high | 96.4 | Very high | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 147.4 | -177.4 | -172.8 | -115.3 | 0 | 0 | 0 | 109.7 | M256 W369 L458 F459 | M256-H258 PolarHBondContact O-N 2.83Å; H258-W369 AromaticContact CD2-NE1 3.64Å; H258-W369 AromaticContact NE2-CD1 3.93Å; H258-W369 AromaticContact NE2-NE1 3.16Å; H258-W369 PolarHBondContact NE2-NE1 3.4Å; H258-W369 VanDerWaalsContact NE2-NE1 3.16Å; H258-L458 HydrophobicContact CB-CB 3.99Å; H258-F459 PolarHBondContact N-O 2.88Å |
| 259 | C | 94.5 | Very high | 96.8 | Very high | 2 Ų | 2 | 10.8 Ų | 10.8 | 1% | 0.014 | 6% | 0.063 | C | C | . | . | trans | -141.7 | 87.5 | 175.3 | -175.6 | 0 | 0 | 0 | 0 | 106.1 | I261 F295 G467 | C259-I261 PolarHBondContact O-N 3.3Å; C259-F295 HydrophobicContact CB-CE2 3.59Å; C259-F295 HydrophobicContact CB-CZ 3.52Å; C259-G467 PolarHBondContact SG-N 3.5Å; C259-G467 VanDerWaalsContact SG-N 3.43Å | ||
| 260 | H | 96.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.048 | C | C | . | . | trans | -67.2 | 129.3 | 169.4 | -171 | 58.5 | 0 | 0 | 0 | 107.9 | D262 E335 D372 Y430 G462 D463 G465 H577 | H260-D262 IonicContact CD2-OD1 3.69Å; H260-D262 IonicContact CE1-OD1 2.79Å; H260-D262 IonicContact NE2-OD1 3.75Å; H260-D262 PolarHBondContact NE2-OD1 2.91Å; H260-E335 IonicContact CE1-OE1 3.83Å; H260-E335 IonicContact CE1-OE2 3.94Å; H260-E335 PolarHBondContact CE1-OE2 3.16Å; H260-E335 IonicContact ND1-OE1 2.74Å; H260-E335 PolarHBondContact ND1-OE1 2.89Å; H260-E335 IonicContact ND1-OE2 3.26Å; H260-E335 PolarHBondContact ND1-OE2 3.46Å; H260-D372 WeakPolarHBondContact NE2-CB 3.44Å; H260-Y430 HydrophobicContact CB-CD2 3.95Å; H260-Y430 HydrophobicContact CB-CE2 3.83Å; H260-Y430 AromaticContact CD2-CE2 3.68Å; H260-Y430 AromaticContact CD2-CZ 4Å; H260-Y430 AromaticContact CG-CE2 3.96Å; H260-G462 CarbonylContact O-C 3.15Å; H260-G462 WeakPolarHBondContact O-CA 3.5Å; H260-D463 IonicContact CD2-OD1 3.68Å; H260-D463 PolarHBondContact CD2-OD1 3.33Å; H260-D463 PolarHBondContact O-N 2.81Å; H260-D463 VanDerWaalsContact O-N 3.11Å; H260-G465 PolarHBondContact O-N 2.88Å; H260-H577 AromaticContact CE1-CE1 3.57Å; H260-H577 AromaticContact CE1-NE2 3.94Å; H260-H577 AromaticContact NE2-CE1 3.84Å; H260-H577 AromaticContact NE2-NE2 3.75Å | ||
| 261 | I | 97.1 | Very high | 97.3 | Very high | 1 Ų | 1 | 7.6 Ų | 7.6 | 1% | 0.005 | 4% | 0.036 | C | C | . | . | B | Isolated β-bridge | trans | -133.3 | 120.6 | 176 | -53.4 | 179 | 0 | 0 | 0 | 105.8 | C259 S263 T272 K275 C276 Q299 Q302 | C259-I261 PolarHBondContact O-N 3.3Å; I261-S263 PolarHBondContact O-N 3.47Å; I261-T272 HydrophobicContact CG2-CG2 3.78Å; I261-K275 HydrophobicContact CG2-CB 4.07Å; I261-C276 HydrophobicContact CD1-CB 4.5Å; I261-Q299 PolarHBondContact O-NE2 3.29Å; I261-Q302 PolarHBondContact O-NE2 2.87Å |
| 262 | D | 97.9 | Very high | 97.3 | Very high | 2 Ų | 2 | 7 Ų | 7 | 1% | 0.011 | 3% | 0.034 | C | C | . | . | trans | -71.4 | 127.5 | 176.4 | -58.2 | -35.7 | 0 | 0 | 0 | 110.1 | H260 A264 W265 W267 T272 D463 F576 H577 | H260-D262 IonicContact CD2-OD1 3.69Å; H260-D262 IonicContact CE1-OD1 2.79Å; H260-D262 IonicContact NE2-OD1 3.75Å; H260-D262 PolarHBondContact NE2-OD1 2.91Å; D262-A264 PolarHBondContact O-N 3.19Å; D262-W265 HydrophobicContact CB-CB 3.68Å; D262-W267 HydrophobicContact CB-CH2 4.33Å; D262-W267 HydrophobicContact CB-CZ2 3.82Å; D262-W267 PolarHBondContact O-NE1 3.48Å; D262-T272 PolarHBondContact O-OG1 3.48Å; D262-T272 VanDerWaalsContact O-OG1 3.1Å; D262-D463 PolarHBondContact N-O 2.97Å; D262-D463 VanDerWaalsContact OD2-O 3.11Å; D262-F576 VanDerWaalsContact CA-CZ 3.45Å; D262-F576 HydrophobicContact CB-CE1 3.74Å; D262-F576 HydrophobicContact CB-CZ 3.78Å; D262-H577 IonicContact OD1-CE1 2.8Å; D262-H577 IonicContact OD1-NE2 3.87Å | ||
| 263 | S | 97.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -59.1 | -38.4 | -178.7 | -84.2 | 0 | 0 | 0 | 0 | 111.1 | I261 Y269 T272 Q299 F576 | I261-S263 PolarHBondContact O-N 3.47Å; S263-Y269 WeakPolarHBondContact O-CD1 3.42Å; S263-T272 WeakPolarHBondContact O-CB 3.22Å; S263-T272 PolarHBondContact O-OG1 2.83Å; S263-Q299 PolarHBondContact OG-OE1 3.07Å; S263-F576 VanDerWaalsContact N-CZ 3.28Å |
| 264 | A | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.035 | C | C | . | . | S | Bend | trans | -158.1 | 134 | 161.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | D262 Y269 V579 V588 | D262-A264 PolarHBondContact O-N 3.19Å; A264-Y269 HydrophobicContact CB-CD1 3.58Å; A264-Y269 HydrophobicContact CB-CD2 4.28Å; A264-Y269 HydrophobicContact CB-CE1 3.53Å; A264-Y269 HydrophobicContact CB-CE2 4.27Å; A264-Y269 HydrophobicContact CB-CG 3.98Å; A264-V579 HydrophobicContact CB-CG2 4.09Å; A264-V588 HydrophobicContact CB-CB 4.38Å; A264-V588 HydrophobicContact CB-CG1 3.52Å; A264-V588 HydrophobicContact CB-CG2 3.88Å |
| 265 | W | 97.9 | Very high | 97.2 | Very high | 19 Ų | 19 | 7.5 Ų | 7.5 | 7% | 0.072 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -148.2 | -88 | 179.3 | 174.2 | 38.4 | 0 | 0 | 0 | 110.6 | F154 M161 I162 D262 W267 D463 D578 S583 C584 I585 W730 | F154-W265 HydrophobicContact CD1-CZ3 4.26Å; M161-W265 HydrophobicContact CE-CH2 3.84Å; M161-W265 HydrophobicContact CE-CZ2 4.36Å; M161-W265 HydrophobicContact SD-CH2 4.43Å; I162-W265 HydrophobicContact CG2-CZ2 4.37Å; D262-W265 HydrophobicContact CB-CB 3.68Å; W265-W267 VanDerWaalsContact C-N 3.31Å; W265-W267 HydrophobicContact CB-CH2 4.49Å; W265-W267 AromaticContact CE3-CH2 3.79Å; W265-W267 HydrophobicContact CE3-CH2 3.79Å; W265-W267 AromaticContact CE3-CZ3 3.98Å; W265-W267 HydrophobicContact CE3-CZ3 3.98Å; W265-W267 PolarHBondContact N-O 3.49Å; W265-D463 HydrophobicContact CE3-CB 4.37Å; W265-D463 HydrophobicContact CZ3-CB 3.86Å; W265-D578 HydrophobicContact CB-CB 4.27Å; W265-D578 HydrophobicContact CG-CB 4.43Å; W265-S583 PolarHBondContact NE1-O 2.88Å; W265-C584 VanDerWaalsContact O-CA 3.27Å; W265-C584 WeakPolarHBondContact O-CA 3.48Å; W265-C584 VanDerWaalsContact O-CB 3.28Å; W265-C584 WeakPolarHBondContact O-CB 3.02Å; W265-I585 PolarHBondContact O-N 3.02Å; W265-W730 HydrophobicContact CZ2-CZ2 4.35Å; W265-W730 AromaticContact NE1-CH2 3.41Å; W265-W730 AromaticContact NE1-CZ2 3.21Å |
| 266 | L | 97.2 | Very high | 97.2 | Very high | 3 Ų | 3 | 7.5 Ų | 7.5 | 2% | 0.016 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -95.5 | 14.5 | 174.6 | -58.3 | 176.9 | 0 | 0 | 0 | 112.6 | W77 F154 G155 M161 I585 P884 | W77-L266 VanDerWaalsContact CH2-O 3.26Å; W77-L266 WeakPolarHBondContact CH2-O 3.47Å; F154-L266 HydrophobicContact CB-CD1 4.47Å; F154-L266 WeakPolarHBondContact O-CD1 3.5Å; G155-L266 WeakPolarHBondContact CA-O 3.43Å; M161-L266 HydrophobicContact CG-CD1 3.91Å; L266-I585 HydrophobicContact CD2-CG2 3.91Å; L266-P884 HydrophobicContact CD2-CB 3.8Å; L266-P884 HydrophobicContact CD2-CG 4.39Å |
| 267 | W | 97.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 3% | 0.034 | C | C | . | . | S | Bend | trans | -151.3 | 155.3 | 176.5 | 54.1 | 83.6 | 0 | 0 | 0 | 109.7 | W77 D262 W265 E271 T272 K275 D463 V588 | W77-W267 HydrophobicContact CH2-CB 4.04Å; W77-W267 HydrophobicContact CZ3-CB 3.89Å; D262-W267 HydrophobicContact CB-CH2 4.33Å; D262-W267 HydrophobicContact CB-CZ2 3.82Å; D262-W267 PolarHBondContact O-NE1 3.48Å; W265-W267 VanDerWaalsContact C-N 3.31Å; W265-W267 HydrophobicContact CB-CH2 4.49Å; W265-W267 AromaticContact CE3-CH2 3.79Å; W265-W267 HydrophobicContact CE3-CH2 3.79Å; W265-W267 AromaticContact CE3-CZ3 3.98Å; W265-W267 HydrophobicContact CE3-CZ3 3.98Å; W265-W267 PolarHBondContact N-O 3.49Å; W267-E271 HydrophobicContact CB-CB 4.04Å; W267-E271 HydrophobicContact CB-CG 4.18Å; W267-E271 HydrophobicContact CG-CB 4.29Å; W267-E271 HydrophobicContact CG-CG 4.35Å; W267-T272 VanDerWaalsContact CD1-OG1 3.25Å; W267-T272 PolarHBondContact NE1-OG1 3.07Å; W267-K275 HydrophobicContact CD2-CD 4.05Å; W267-K275 VanDerWaalsContact CD2-CE 3.43Å; W267-K275 HydrophobicContact CG-CD 4.26Å; W267-K275 HydrophobicContact CZ2-CD 4.09Å; W267-D463 WeakPolarHBondContact CH2-O 3.48Å; W267-D463 VanDerWaalsContact CZ2-O 3.23Å; W267-D463 WeakPolarHBondContact CZ2-O 3.41Å; W267-V588 VanDerWaalsContact O-CG2 3.27Å; W267-V588 WeakPolarHBondContact O-CG2 3.2Å |
| 268 | P | 96.8 | Very high | 97 | Very high | 1 Ų | 1 | 7.9 Ų | 7.9 | 1% | 0.006 | 4% | 0.036 | C | C | . | . | trans | -72.5 | 161.1 | 178.2 | 30.9 | -37 | 0 | 0 | 0 | 112.7 | E270 E271 M587 | P268-E270 HydrophobicContact CB-CG 4.04Å; P268-E270 HydrophobicContact CG-CG 4.09Å; P268-E270 PolarHBondContact O-N 2.82Å; P268-E271 HydrophobicContact CG-CB 4.42Å; P268-E271 WeakPolarHBondContact O-CB 3.5Å; P268-E271 PolarHBondContact O-N 2.95Å; P268-M587 HydrophobicContact CG-CE 4.4Å | ||
| 269 | Y | 97.5 | Very high | 97.1 | Very high | 4 Ų | 4 | 7.9 Ų | 7.9 | 2% | 0.016 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -52.4 | -40.4 | 179.9 | -68.1 | -71.7 | 0 | 0 | 0 | 113.1 | S263 A264 E271 T272 I273 W305 L573 N574 V579 V588 D591 Y595 | S263-Y269 WeakPolarHBondContact O-CD1 3.42Å; A264-Y269 HydrophobicContact CB-CD1 3.58Å; A264-Y269 HydrophobicContact CB-CD2 4.28Å; A264-Y269 HydrophobicContact CB-CE1 3.53Å; A264-Y269 HydrophobicContact CB-CE2 4.27Å; A264-Y269 HydrophobicContact CB-CG 3.98Å; Y269-E271 PolarHBondContact O-N 3.16Å; Y269-T272 WeakPolarHBondContact O-CB 3.37Å; Y269-T272 PolarHBondContact O-N 3.19Å; Y269-I273 PolarHBondContact O-N 3.24Å; Y269-W305 HydrophobicContact CD1-CH2 4.06Å; Y269-W305 HydrophobicContact CD1-CZ2 4.43Å; Y269-L573 HydrophobicContact CD1-CD1 3.89Å; Y269-L573 HydrophobicContact CD1-CD2 4.19Å; Y269-L573 HydrophobicContact CD1-CG 4.18Å; Y269-L573 HydrophobicContact CE1-CD1 3.46Å; Y269-L573 VanDerWaalsContact CE1-CD1 3.46Å; Y269-L573 HydrophobicContact CE1-CD2 4.07Å; Y269-L573 HydrophobicContact CE1-CG 3.62Å; Y269-N574 PolarHBondContact OH-OD1 2.76Å; Y269-V579 HydrophobicContact CE1-CG2 4.44Å; Y269-V579 WeakPolarHBondContact OH-CG2 3.36Å; Y269-V588 HydrophobicContact CE2-CG1 4.49Å; Y269-D591 HydrophobicContact CD2-CB 3.95Å; Y269-D591 HydrophobicContact CE2-CB 4.09Å; Y269-Y595 AromaticContact CD2-CE2 3.74Å; Y269-Y595 HydrophobicContact CD2-CE2 3.74Å; Y269-Y595 HydrophobicContact CE2-CD2 4.24Å; Y269-Y595 AromaticContact CE2-CE2 3.66Å; Y269-Y595 HydrophobicContact CE2-CE2 3.66Å; Y269-Y595 HydrophobicContact CG-CE2 4.48Å |
| 270 | E | 95.8 | Very high | 97.2 | Very high | 91 Ų | 91 | 7.8 Ų | 7.8 | 43% | 0.425 | 4% | 0.035 | S | C | . | . | H | α-helix | trans | -60.2 | -24.8 | 178 | 31.9 | 148.6 | -141.7 | 0 | 0 | 113.5 | R53 P268 | R53-E270 IonicContact CZ-OE1 2.61Å; R53-E270 IonicContact CZ-OE2 2.74Å; R53-E270 IonicContact NE-OE1 3.43Å; R53-E270 IonicContact NH1-OE1 3.31Å; R53-E270 PolarHBondContact NH1-OE1 3.46Å; R53-E270 IonicContact NH1-OE2 3.81Å; R53-E270 PolarHBondContact NH1-OE2 3.05Å; R53-E270 IonicContact NH2-OE1 2.8Å; R53-E270 PolarHBondContact NH2-OE1 3.03Å; P268-E270 HydrophobicContact CB-CG 4.04Å; P268-E270 HydrophobicContact CG-CG 4.09Å; P268-E270 PolarHBondContact O-N 2.82Å |
| 271 | E | 97.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.038 | C | C | . | . | H | α-helix | trans | -79.7 | -33.6 | 176.6 | -176.5 | 53.1 | -148 | 0 | 0 | 110.8 | R53 W267 P268 Y269 I273 R274 K275 R278 | R53-E271 IonicContact CZ-OE2 3.32Å; R53-E271 IonicContact NE-OE2 2.76Å; R53-E271 PolarHBondContact NE-OE2 2.81Å; R53-E271 IonicContact NH1-OE2 2.92Å; W267-E271 HydrophobicContact CB-CB 4.04Å; W267-E271 HydrophobicContact CB-CG 4.18Å; W267-E271 HydrophobicContact CG-CB 4.29Å; W267-E271 HydrophobicContact CG-CG 4.35Å; P268-E271 HydrophobicContact CG-CB 4.42Å; P268-E271 WeakPolarHBondContact O-CB 3.5Å; P268-E271 PolarHBondContact O-N 2.95Å; Y269-E271 PolarHBondContact O-N 3.16Å; E271-I273 PolarHBondContact O-N 2.78Å; E271-R274 PolarHBondContact O-N 2.92Å; E271-R274 IonicContact OE1-NE 3.02Å; E271-R274 IonicContact OE1-NH2 3.71Å; E271-R274 IonicContact OE2-CZ 3.29Å; E271-R274 IonicContact OE2-NE 3.23Å; E271-R274 PolarHBondContact OE2-NE 2.99Å; E271-R274 IonicContact OE2-NH2 2.97Å; E271-R274 PolarHBondContact OE2-NH2 2.97Å; E271-K275 HydrophobicContact CG-CD 4.3Å; E271-K275 HydrophobicContact CG-CG 4.35Å; E271-K275 PolarHBondContact O-N 3.34Å; E271-R278 IonicContact OE1-CZ 2.81Å; E271-R278 VanDerWaalsContact OE1-CZ 3.28Å; E271-R278 IonicContact OE1-NH1 2.63Å; E271-R278 PolarHBondContact OE1-NH1 2.98Å; E271-R278 IonicContact OE1-NH2 2.78Å; E271-R278 PolarHBondContact OE1-NH2 3.01Å |
| 272 | T | 97.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -59.3 | -36.5 | 177.5 | -58.6 | 0 | 0 | 0 | 0 | 112.2 | I261 D262 S263 W267 Y269 R274 K275 C276 W305 | I261-T272 HydrophobicContact CG2-CG2 3.78Å; D262-T272 PolarHBondContact O-OG1 3.48Å; D262-T272 VanDerWaalsContact O-OG1 3.1Å; S263-T272 WeakPolarHBondContact O-CB 3.22Å; S263-T272 PolarHBondContact O-OG1 2.83Å; W267-T272 VanDerWaalsContact CD1-OG1 3.25Å; W267-T272 PolarHBondContact NE1-OG1 3.07Å; Y269-T272 WeakPolarHBondContact O-CB 3.37Å; Y269-T272 PolarHBondContact O-N 3.19Å; T272-R274 PolarHBondContact O-N 3.03Å; T272-K275 WeakPolarHBondContact O-CB 3.19Å; T272-K275 PolarHBondContact O-N 3.38Å; T272-K275 VanDerWaalsContact O-N 3.13Å; T272-C276 PolarHBondContact O-N 2.92Å; T272-C276 PolarHBondContact O-SG 2.93Å; T272-W305 HydrophobicContact CG2-CE3 4.25Å; T272-W305 HydrophobicContact CG2-CZ3 3.72Å |
| 273 | I | 97.4 | Very high | 97.2 | Very high | 21 Ų | 21 | 8.5 Ų | 8.5 | 11% | 0.108 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -53.3 | -46 | 174.5 | -59.2 | 177.6 | 0 | 0 | 0 | 110.3 | Y269 E271 G277 W305 W309 Y310 | Y269-I273 PolarHBondContact O-N 3.24Å; E271-I273 PolarHBondContact O-N 2.78Å; I273-G277 PolarHBondContact O-N 2.7Å; I273-G277 VanDerWaalsContact O-N 3.17Å; I273-W305 HydrophobicContact CD1-CG 4.28Å; I273-W305 HydrophobicContact CG1-CB 4.07Å; I273-W305 HydrophobicContact CG1-CD2 3.86Å; I273-W305 HydrophobicContact CG1-CE3 4.21Å; I273-W305 HydrophobicContact CG1-CG 3.81Å; I273-W305 HydrophobicContact CG2-CB 4.43Å; I273-W309 HydrophobicContact CG2-CB 3.84Å; I273-W309 HydrophobicContact CG2-CD2 4.12Å; I273-W309 HydrophobicContact CG2-CG 3.58Å; I273-Y310 HydrophobicContact CG2-CE2 4.21Å; I273-Y310 WeakPolarHBondContact O-CE2 3.17Å |
| 274 | R | 96.7 | Very high | 97.2 | Very high | 12 Ų | 12 | 8.6 Ų | 8.6 | 5% | 0.045 | 4% | 0.04 | C | C | . | . | H | α-helix | trans | -73.3 | -37.6 | 178.3 | -55.6 | -162.6 | -67.1 | -178.5 | -9.7 | 112.4 | T79 E147 E271 T272 C276 G277 R278 | T79-R274 VanDerWaalsContact CG2-NH1 3.3Å; T79-R274 PolarHBondContact OG1-NH1 2.63Å; T79-R274 PolarHBondContact OG1-NH2 3.02Å; E147-R274 WeakPolarHBondContact OE1-CD 3.23Å; E147-R274 IonicContact OE1-CZ 3.9Å; E147-R274 IonicContact OE1-NE 3.65Å; E147-R274 IonicContact OE1-NH1 3.02Å; E147-R274 PolarHBondContact OE1-NH1 3.08Å; E271-R274 PolarHBondContact O-N 2.92Å; E271-R274 IonicContact OE1-NE 3.02Å; E271-R274 IonicContact OE1-NH2 3.71Å; E271-R274 IonicContact OE2-CZ 3.29Å; E271-R274 IonicContact OE2-NE 3.23Å; E271-R274 PolarHBondContact OE2-NE 2.99Å; E271-R274 IonicContact OE2-NH2 2.97Å; E271-R274 PolarHBondContact OE2-NH2 2.97Å; T272-R274 PolarHBondContact O-N 3.03Å; R274-C276 VanDerWaalsContact C-N 3.33Å; R274-C276 PolarHBondContact O-N 3.06Å; R274-G277 PolarHBondContact O-N 3.06Å; R274-R278 VanDerWaalsContact CB-NH2 3.34Å; R274-R278 WeakPolarHBondContact O-CG 3.32Å; R274-R278 PolarHBondContact O-N 3.07Å |
| 275 | K | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -58.3 | -42.7 | 173.4 | -73.1 | 176 | 165.9 | -69.5 | 0 | 111.9 | E106 L153 I261 W267 E271 T272 R278 S279 G464 | E106-K275 IonicContact OE1-NZ 2.95Å; E106-K275 PolarHBondContact OE1-NZ 3Å; E106-K275 WeakPolarHBondContact OE2-CE 3.33Å; E106-K275 IonicContact OE2-NZ 3.72Å; E106-K275 PolarHBondContact OE2-NZ 3.05Å; L153-K275 PolarHBondContact O-NZ 3.27Å; I261-K275 HydrophobicContact CG2-CB 4.07Å; W267-K275 HydrophobicContact CD2-CD 4.05Å; W267-K275 VanDerWaalsContact CD2-CE 3.43Å; W267-K275 HydrophobicContact CG-CD 4.26Å; W267-K275 HydrophobicContact CZ2-CD 4.09Å; E271-K275 HydrophobicContact CG-CD 4.3Å; E271-K275 HydrophobicContact CG-CG 4.35Å; E271-K275 PolarHBondContact O-N 3.34Å; T272-K275 WeakPolarHBondContact O-CB 3.19Å; T272-K275 PolarHBondContact O-N 3.38Å; T272-K275 VanDerWaalsContact O-N 3.13Å; K275-R278 VanDerWaalsContact O-CG 3.29Å; K275-R278 WeakPolarHBondContact O-CG 3.4Å; K275-S279 VanDerWaalsContact O-CB 3.26Å; K275-S279 WeakPolarHBondContact O-CB 3.35Å; K275-S279 PolarHBondContact O-N 3.28Å; K275-S279 PolarHBondContact O-OG 3.29Å; K275-G464 WeakPolarHBondContact CD-O 3.08Å; K275-G464 PolarHBondContact NZ-O 3.17Å |
| 276 | C | 97.9 | Very high | 97 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -62 | -49.8 | 174.1 | -64.1 | 0 | 0 | 0 | 0 | 110.5 | I261 T272 R274 R278 S279 W280 V306 | I261-C276 HydrophobicContact CD1-CB 4.5Å; T272-C276 PolarHBondContact O-N 2.92Å; T272-C276 PolarHBondContact O-SG 2.93Å; R274-C276 VanDerWaalsContact C-N 3.33Å; R274-C276 PolarHBondContact O-N 3.06Å; C276-R278 PolarHBondContact O-N 2.94Å; C276-S279 PolarHBondContact O-N 3.46Å; C276-W280 HydrophobicContact CB-CZ2 4.44Å; C276-W280 WeakPolarHBondContact O-CB 3.12Å; C276-W280 VanDerWaalsContact O-CG 3.31Å; C276-W280 PolarHBondContact O-N 3.02Å; C276-V306 HydrophobicContact CB-CG2 3.59Å |
| 277 | G | 96.8 | Very high | 97 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -53.8 | -52.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113 | I273 R274 S279 V281 | I273-G277 PolarHBondContact O-N 2.7Å; I273-G277 VanDerWaalsContact O-N 3.17Å; R274-G277 PolarHBondContact O-N 3.06Å; G277-S279 PolarHBondContact O-N 2.95Å; G277-V281 WeakPolarHBondContact O-CB 3.29Å; G277-V281 VanDerWaalsContact O-CG1 3.32Å; G277-V281 WeakPolarHBondContact O-CG1 3.37Å; G277-V281 PolarHBondContact O-N 3.37Å; G277-V281 VanDerWaalsContact O-N 3.13Å |
| 278 | R | 96 | Very high | 96.9 | Very high | 8 Ų | 8 | 14.9 Ų | 14.9 | 3% | 0.03 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -67.6 | -35.1 | -177.2 | 68.2 | -176.7 | 61.2 | 121 | 1.6 | 113.1 | E106 M108 G118 E271 R274 K275 C276 T282 | E106-R278 IonicContact OE1-NH1 3.84Å; E106-R278 IonicContact OE2-CZ 3.33Å; E106-R278 IonicContact OE2-NH1 2.74Å; E106-R278 PolarHBondContact OE2-NH1 3.33Å; M108-R278 HydrophobicContact CE-CB 3.72Å; M108-R278 HydrophobicContact SD-CB 4.22Å; G118-R278 PolarHBondContact N-O 3.49Å; E271-R278 IonicContact OE1-CZ 2.81Å; E271-R278 VanDerWaalsContact OE1-CZ 3.28Å; E271-R278 IonicContact OE1-NH1 2.63Å; E271-R278 PolarHBondContact OE1-NH1 2.98Å; E271-R278 IonicContact OE1-NH2 2.78Å; E271-R278 PolarHBondContact OE1-NH2 3.01Å; R274-R278 VanDerWaalsContact CB-NH2 3.34Å; R274-R278 WeakPolarHBondContact O-CG 3.32Å; R274-R278 PolarHBondContact O-N 3.07Å; K275-R278 VanDerWaalsContact O-CG 3.29Å; K275-R278 WeakPolarHBondContact O-CG 3.4Å; C276-R278 PolarHBondContact O-N 2.94Å; R278-T282 PolarHBondContact O-OG1 2.97Å |
| 279 | S | 96.9 | Very high | 96.8 | Very high | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.007 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -73.8 | -49.7 | 180 | -55.1 | 0 | 0 | 0 | 0 | 110.8 | K275 C276 G277 T282 V283 G466 | K275-S279 VanDerWaalsContact O-CB 3.26Å; K275-S279 WeakPolarHBondContact O-CB 3.35Å; K275-S279 PolarHBondContact O-N 3.28Å; K275-S279 PolarHBondContact O-OG 3.29Å; C276-S279 PolarHBondContact O-N 3.46Å; G277-S279 PolarHBondContact O-N 2.95Å; S279-T282 PolarHBondContact O-N 3.16Å; S279-V283 WeakPolarHBondContact O-CG2 3.45Å; S279-V283 PolarHBondContact O-N 3.49Å; S279-G466 PolarHBondContact OG-N 3.42Å |
| 280 | W | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -78.1 | -27.9 | -170.5 | -60.5 | -4.6 | 0 | 0 | 0 | 113.1 | C276 T282 V283 V284 C297 Q302 F303 V306 L313 I317 F326 | C276-W280 HydrophobicContact CB-CZ2 4.44Å; C276-W280 WeakPolarHBondContact O-CB 3.12Å; C276-W280 VanDerWaalsContact O-CG 3.31Å; C276-W280 PolarHBondContact O-N 3.02Å; W280-T282 VanDerWaalsContact C-N 3.28Å; W280-T282 PolarHBondContact O-N 3.08Å; W280-V283 PolarHBondContact O-N 3.18Å; W280-V284 WeakPolarHBondContact O-CB 3.28Å; W280-V284 WeakPolarHBondContact O-CG2 3.44Å; W280-V284 PolarHBondContact O-N 3.3Å; W280-C297 WeakPolarHBondContact CZ2-SG 3.43Å; W280-Q302 HydrophobicContact CH2-CB 3.58Å; W280-Q302 HydrophobicContact CZ2-CB 3.86Å; W280-F303 HydrophobicContact CH2-CD1 4.19Å; W280-F303 HydrophobicContact CH2-CD2 4.06Å; W280-F303 HydrophobicContact CH2-CE1 4.42Å; W280-F303 HydrophobicContact CH2-CE2 4.28Å; W280-F303 HydrophobicContact CH2-CG 4.02Å; W280-F303 HydrophobicContact CH2-CZ 4.49Å; W280-F303 AromaticContact CZ3-CD1 3.94Å; W280-F303 HydrophobicContact CZ3-CD1 3.94Å; W280-F303 HydrophobicContact CZ3-CE1 4.31Å; W280-F303 HydrophobicContact CZ3-CG 4.12Å; W280-V306 HydrophobicContact CE3-CB 4.13Å; W280-V306 HydrophobicContact CE3-CG1 4.11Å; W280-V306 HydrophobicContact CE3-CG2 3.66Å; W280-V306 HydrophobicContact CH2-CG2 4.37Å; W280-V306 HydrophobicContact CZ3-CB 3.88Å; W280-V306 HydrophobicContact CZ3-CG1 4.27Å; W280-V306 HydrophobicContact CZ3-CG2 3.57Å; W280-L313 HydrophobicContact CB-CD2 4.31Å; W280-I317 HydrophobicContact CB-CD1 4.29Å; W280-I317 HydrophobicContact CD2-CD1 4.4Å; W280-I317 HydrophobicContact CE3-CD1 3.54Å; W280-I317 HydrophobicContact CZ3-CD1 4.24Å; W280-F326 HydrophobicContact CD2-CZ 4.23Å; W280-F326 HydrophobicContact CE3-CZ 4.45Å; W280-F326 HydrophobicContact CG-CZ 4.4Å |
| 281 | V | 97.1 | Very high | 96.8 | Very high | 9 Ų | 9 | 22 Ų | 22 | 6% | 0.055 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.5 | -39.7 | 170.3 | 75.4 | 0 | 0 | 0 | 0 | 111.2 | M108 P115 G277 V284 S285 L313 | M108-V281 HydrophobicContact CE-CG1 4.06Å; M108-V281 HydrophobicContact SD-CG1 3.93Å; P115-V281 HydrophobicContact CB-CG2 4.45Å; P115-V281 WeakPolarHBondContact O-CG2 3.28Å; G277-V281 WeakPolarHBondContact O-CB 3.29Å; G277-V281 VanDerWaalsContact O-CG1 3.32Å; G277-V281 WeakPolarHBondContact O-CG1 3.37Å; G277-V281 PolarHBondContact O-N 3.37Å; G277-V281 VanDerWaalsContact O-N 3.13Å; V281-V284 PolarHBondContact O-N 3.48Å; V281-S285 PolarHBondContact O-N 3.15Å; V281-S285 PolarHBondContact O-OG 2.67Å; V281-L313 HydrophobicContact CB-CD1 4.11Å; V281-L313 HydrophobicContact CB-CD2 4.17Å; V281-L313 HydrophobicContact CG2-CD1 4.3Å |
| 282 | T | 95.8 | Very high | 96.6 | Very high | 10 Ų | 10 | 27.5 Ų | 27.5 | 6% | 0.061 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68 | -40.2 | 175.9 | -61.9 | 0 | 0 | 0 | 0 | 111.9 | Q117 G118 K125 R278 S279 W280 S285 L286 | Q117-T282 HydrophobicContact CG-CG2 4.26Å; Q117-T282 WeakPolarHBondContact CG-OG1 3.31Å; G118-T282 PolarHBondContact N-OG1 3.37Å; K125-T282 HydrophobicContact CD-CG2 4.32Å; R278-T282 PolarHBondContact O-OG1 2.97Å; S279-T282 PolarHBondContact O-N 3.16Å; W280-T282 VanDerWaalsContact C-N 3.28Å; W280-T282 PolarHBondContact O-N 3.08Å; T282-S285 PolarHBondContact O-N 3.2Å; T282-L286 WeakPolarHBondContact O-CG 3.17Å; T282-L286 PolarHBondContact O-N 2.87Å |
| 283 | V | 97.3 | Very high | 96.6 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.1 | -47 | 173.9 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | S279 W280 S285 L286 M287 F293 F295 F326 | S279-V283 WeakPolarHBondContact O-CG2 3.45Å; S279-V283 PolarHBondContact O-N 3.49Å; W280-V283 PolarHBondContact O-N 3.18Å; V283-S285 VanDerWaalsContact C-N 3.34Å; V283-S285 PolarHBondContact O-N 3.09Å; V283-L286 WeakPolarHBondContact O-CB 3.37Å; V283-L286 PolarHBondContact O-N 3.31Å; V283-L286 VanDerWaalsContact O-N 3.1Å; V283-M287 HydrophobicContact CG1-CE 3.68Å; V283-M287 HydrophobicContact CG1-SD 4.39Å; V283-M287 WeakPolarHBondContact O-CG 3.47Å; V283-M287 PolarHBondContact O-N 3.18Å; V283-F293 HydrophobicContact CG1-CE1 4.02Å; V283-F293 HydrophobicContact CG1-CZ 4.39Å; V283-F295 HydrophobicContact CG1-CB 3.91Å; V283-F295 HydrophobicContact CG1-CD1 3.66Å; V283-F295 HydrophobicContact CG1-CD2 3.92Å; V283-F295 HydrophobicContact CG1-CE1 4.09Å; V283-F295 HydrophobicContact CG1-CE2 4.35Å; V283-F295 HydrophobicContact CG1-CG 3.55Å; V283-F295 HydrophobicContact CG1-CZ 4.42Å; V283-F295 HydrophobicContact CG2-CD2 4.04Å; V283-F295 HydrophobicContact CG2-CE1 4.43Å; V283-F295 HydrophobicContact CG2-CE2 3.81Å; V283-F295 HydrophobicContact CG2-CG 4.46Å; V283-F295 HydrophobicContact CG2-CZ 4.01Å; V283-F326 HydrophobicContact CG1-CD2 4.26Å; V283-F326 HydrophobicContact CG1-CE2 4.19Å |
| 284 | V | 97.6 | Very high | 96.7 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.006 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -60.5 | -43.1 | 177.7 | 165.7 | 0 | 0 | 0 | 0 | 111.1 | W280 V281 L286 M287 E288 L313 K316 I317 Y320 | W280-V284 WeakPolarHBondContact O-CB 3.28Å; W280-V284 WeakPolarHBondContact O-CG2 3.44Å; W280-V284 PolarHBondContact O-N 3.3Å; V281-V284 PolarHBondContact O-N 3.48Å; V284-L286 VanDerWaalsContact C-N 3.31Å; V284-L286 PolarHBondContact O-N 3Å; V284-M287 WeakPolarHBondContact O-CB 3.25Å; V284-M287 PolarHBondContact O-N 2.84Å; V284-M287 VanDerWaalsContact O-N 3.15Å; V284-E288 WeakPolarHBondContact O-CG 3.28Å; V284-E288 PolarHBondContact O-N 3.05Å; V284-L313 HydrophobicContact CB-CD1 4.46Å; V284-L313 HydrophobicContact CG2-CD1 4.05Å; V284-K316 HydrophobicContact CG1-CB 4.06Å; V284-K316 HydrophobicContact CG1-CD 3.77Å; V284-I317 HydrophobicContact CG2-CG1 4.13Å; V284-Y320 HydrophobicContact CG1-CD2 4.17Å; V284-Y320 HydrophobicContact CG1-CE2 3.84Å; V284-Y320 HydrophobicContact CG2-CD2 4.41Å |
| 285 | S | 95.3 | Very high | 96.8 | Very high | 34 Ų | 34 | 26.8 Ų | 26.8 | 24% | 0.238 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.6 | -33.2 | 174.5 | -65.8 | 0 | 0 | 0 | 0 | 113.4 | V281 T282 V283 K289 | V281-S285 PolarHBondContact O-N 3.15Å; V281-S285 PolarHBondContact O-OG 2.67Å; T282-S285 PolarHBondContact O-N 3.2Å; V283-S285 VanDerWaalsContact C-N 3.34Å; V283-S285 PolarHBondContact O-N 3.09Å; S285-K289 PolarHBondContact O-N 2.92Å |
| 286 | L | 96.6 | Very high | 96.8 | Very high | 15 Ų | 15 | 26.8 Ų | 26.8 | 8% | 0.079 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.3 | -39.9 | 172.1 | -70.7 | 172.6 | 0 | 0 | 0 | 111.5 | T282 V283 V284 E288 K289 N290 F293 P468 Q470 L473 | T282-L286 WeakPolarHBondContact O-CG 3.17Å; T282-L286 PolarHBondContact O-N 2.87Å; V283-L286 WeakPolarHBondContact O-CB 3.37Å; V283-L286 PolarHBondContact O-N 3.31Å; V283-L286 VanDerWaalsContact O-N 3.1Å; V284-L286 VanDerWaalsContact C-N 3.31Å; V284-L286 PolarHBondContact O-N 3Å; L286-E288 VanDerWaalsContact C-N 3.33Å; L286-E288 PolarHBondContact O-N 2.98Å; L286-K289 PolarHBondContact O-N 3.4Å; L286-N290 WeakPolarHBondContact O-CB 3.04Å; L286-N290 PolarHBondContact O-N 3.25Å; L286-N290 PolarHBondContact O-ND2 3.41Å; L286-F293 HydrophobicContact CB-CD1 4.04Å; L286-F293 HydrophobicContact CB-CE1 3.94Å; L286-P468 HydrophobicContact CD1-CB 4.29Å; L286-P468 WeakPolarHBondContact CD1-O 3.32Å; L286-Q470 HydrophobicContact CD2-CB 3.92Å; L286-L473 HydrophobicContact CB-CD1 4.47Å; L286-L473 HydrophobicContact CD2-CD1 4.39Å |
| 287 | M | 97.8 | Very high | 96.7 | Very high | 3 Ų | 3 | 26.8 Ų | 26.8 | 2% | 0.015 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.8 | -37.3 | 176.5 | -66.9 | 174.4 | 174.7 | 0 | 0 | 112.4 | V283 V284 K289 N290 F293 F295 Y320 Q325 F326 | V283-M287 HydrophobicContact CG1-CE 3.68Å; V283-M287 HydrophobicContact CG1-SD 4.39Å; V283-M287 WeakPolarHBondContact O-CG 3.47Å; V283-M287 PolarHBondContact O-N 3.18Å; V284-M287 WeakPolarHBondContact O-CB 3.25Å; V284-M287 PolarHBondContact O-N 2.84Å; V284-M287 VanDerWaalsContact O-N 3.15Å; M287-K289 PolarHBondContact O-N 2.91Å; M287-N290 CarbonylContact O-C 3.57Å; M287-N290 PolarHBondContact O-N 3.09Å; M287-F293 HydrophobicContact CB-CD1 4.41Å; M287-F293 HydrophobicContact CE-CD1 4.41Å; M287-F293 HydrophobicContact CE-CE1 4.18Å; M287-F293 HydrophobicContact CG-CD1 3.52Å; M287-F293 HydrophobicContact CG-CE1 3.89Å; M287-F295 HydrophobicContact CE-CB 3.35Å; M287-F295 HydrophobicContact CE-CD1 4.47Å; M287-F295 HydrophobicContact CE-CG 4.26Å; M287-Y320 HydrophobicContact CB-CD1 3.78Å; M287-Y320 HydrophobicContact CB-CE1 3.5Å; M287-Y320 VanDerWaalsContact CB-CE1 3.5Å; M287-Y320 HydrophobicContact CB-CE2 4.37Å; M287-Y320 HydrophobicContact CB-CG 4.33Å; M287-Y320 HydrophobicContact CG-CD1 4.3Å; M287-Y320 HydrophobicContact CG-CE1 4.48Å; M287-Y320 HydrophobicContact SD-CD1 3.72Å; M287-Y320 HydrophobicContact SD-CD2 4.2Å; M287-Y320 HydrophobicContact SD-CE1 4.4Å; M287-Y320 HydrophobicContact SD-CG 3.61Å; M287-Q325 HydrophobicContact CE-CB 4.22Å; M287-Q325 VanDerWaalsContact CE-O 3.31Å; M287-Q325 WeakPolarHBondContact CE-O 3.3Å; M287-Q325 HydrophobicContact CG-CB 4.47Å; M287-Q325 HydrophobicContact SD-CB 4.06Å; M287-F326 HydrophobicContact CE-CB 3.78Å; M287-F326 HydrophobicContact CE-CD2 3.84Å; M287-F326 HydrophobicContact CE-CG 4.16Å; M287-F326 HydrophobicContact SD-CB 4.2Å; M287-F326 HydrophobicContact SD-CD2 4.31Å |
| 288 | E | 95.5 | Very high | 96.7 | Very high | 102 Ų | 102 | 26.9 Ų | 26.9 | 48% | 0.477 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -58.1 | -35.5 | 175 | -71.7 | 172.2 | -179.5 | 0 | 0 | 111.7 | V284 L286 K316 Y320 | V284-E288 WeakPolarHBondContact O-CG 3.28Å; V284-E288 PolarHBondContact O-N 3.05Å; L286-E288 VanDerWaalsContact C-N 3.33Å; L286-E288 PolarHBondContact O-N 2.98Å; E288-K316 IonicContact OE1-NZ 2.63Å; E288-K316 PolarHBondContact OE1-NZ 2.83Å; E288-K316 VanDerWaalsContact OE1-NZ 3.08Å; E288-Y320 WeakPolarHBondContact CA-OH 3.41Å; E288-Y320 HydrophobicContact CG-CE2 4.41Å; E288-Y320 WeakPolarHBondContact CG-OH 3.42Å; E288-Y320 PolarHBondContact N-OH 3.4Å |
| 289 | K | 94.4 | Very high | 96.7 | Very high | 99 Ų | 99 | 26.5 Ų | 26.5 | 43% | 0.43 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -92.2 | -20.7 | -179.2 | -62.9 | -170.4 | 179.6 | -159.4 | 0 | 114 | D132 S285 L286 M287 | D132-K289 IonicContact OD1-NZ 4Å; D132-K289 PolarHBondContact OD1-NZ 3.25Å; D132-K289 IonicContact OD2-NZ 3.53Å; S285-K289 PolarHBondContact O-N 2.92Å; L286-K289 PolarHBondContact O-N 3.4Å; M287-K289 PolarHBondContact O-N 2.91Å |
| 290 | N | 96.8 | Very high | 96.8 | Very high | 35 Ų | 35 | 26.5 Ų | 26.5 | 19% | 0.187 | 14% | 0.14 | C | C | . | . | trans | -129.7 | 92.7 | -171.7 | -57.6 | -89.6 | 0 | 0 | 0 | 110.9 | L286 M287 E292 F293 Q325 Q470 L473 | L286-N290 WeakPolarHBondContact O-CB 3.04Å; L286-N290 PolarHBondContact O-N 3.25Å; L286-N290 PolarHBondContact O-ND2 3.41Å; M287-N290 CarbonylContact O-C 3.57Å; M287-N290 PolarHBondContact O-N 3.09Å; N290-E292 PolarHBondContact O-N 3.47Å; N290-F293 HydrophobicContact CB-CB 3.83Å; N290-F293 WeakPolarHBondContact O-CB 3.4Å; N290-F293 PolarHBondContact O-N 3.09Å; N290-F293 VanDerWaalsContact O-N 3.09Å; N290-Q325 PolarHBondContact O-NE2 3.27Å; N290-Q470 PolarHBondContact ND2-OE1 3.37Å; N290-Q470 PolarHBondContact OD1-NE2 3.49Å; N290-Q470 VanDerWaalsContact OD1-NE2 3.13Å; N290-L473 HydrophobicContact CB-CD1 4.2Å | ||
| 291 | P | 95.6 | Very high | 96.9 | Very high | 111 Ų | 111 | 26.9 Ų | 26.9 | 72% | 0.721 | 14% | 0.142 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23 | -175.7 | -25.3 | 35 | 0 | 0 | 0 | 115.5 | Q325 | P291-Q325 PolarHBondContact O-NE2 3.15Š|
| 292 | E | 94.7 | Very high | 96.9 | Very high | 116 Ų | 116 | 26.5 Ų | 26.5 | 54% | 0.542 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -6.7 | 178.5 | -62.7 | -175.5 | 132.6 | 0 | 0 | 113 | N290 V294 R480 M490 | N290-E292 PolarHBondContact O-N 3.47Å; E292-V294 PolarHBondContact O-N 3.41Å; E292-R480 IonicContact OE1-NH1 2.85Å; E292-R480 IonicContact OE2-CZ 3.23Å; E292-R480 IonicContact OE2-NH1 3.8Å; E292-R480 PolarHBondContact OE2-NH1 2.79Å; E292-R480 IonicContact OE2-NH2 2.75Å; E292-R480 PolarHBondContact OE2-NH2 3.17Å; E292-M490 WeakPolarHBondContact O-CB 3.35Å; E292-M490 WeakPolarHBondContact O-CG 3.37Å |
| 293 | F | 98 | Very high | 97.1 | Very high | 3 Ų | 3 | 26 Ų | 26 | 1% | 0.013 | 14% | 0.136 | C | C | . | . | trans | -70.2 | 128.7 | -176.9 | 173.5 | -134.8 | 0 | 0 | 0 | 110.8 | V283 L286 M287 N290 F295 Q325 F459 P468 L473 | V283-F293 HydrophobicContact CG1-CE1 4.02Å; V283-F293 HydrophobicContact CG1-CZ 4.39Å; L286-F293 HydrophobicContact CB-CD1 4.04Å; L286-F293 HydrophobicContact CB-CE1 3.94Å; M287-F293 HydrophobicContact CB-CD1 4.41Å; M287-F293 HydrophobicContact CE-CD1 4.41Å; M287-F293 HydrophobicContact CE-CE1 4.18Å; M287-F293 HydrophobicContact CG-CD1 3.52Å; M287-F293 HydrophobicContact CG-CE1 3.89Å; N290-F293 HydrophobicContact CB-CB 3.83Å; N290-F293 WeakPolarHBondContact O-CB 3.4Å; N290-F293 PolarHBondContact O-N 3.09Å; N290-F293 VanDerWaalsContact O-N 3.09Å; F293-F295 HydrophobicContact CE1-CB 4.29Å; F293-F295 HydrophobicContact CE2-CB 4.39Å; F293-F295 HydrophobicContact CZ-CB 3.88Å; F293-F295 HydrophobicContact CZ-CD2 4.24Å; F293-F295 HydrophobicContact CZ-CG 4.46Å; F293-Q325 PolarHBondContact O-NE2 2.89Å; F293-Q325 VanDerWaalsContact O-NE2 3.13Å; F293-F459 HydrophobicContact CD2-CZ 4.25Å; F293-F459 HydrophobicContact CE2-CE2 4.3Å; F293-F459 AromaticContact CE2-CZ 3.88Å; F293-F459 HydrophobicContact CE2-CZ 3.88Å; F293-P468 HydrophobicContact CE2-CB 4.34Å; F293-P468 HydrophobicContact CE2-CG 4.26Å; F293-P468 HydrophobicContact CZ-CB 4.05Å; F293-P468 HydrophobicContact CZ-CG 3.93Å; F293-L473 HydrophobicContact CB-CD1 4.42Å; F293-L473 HydrophobicContact CD2-CD1 4.3Å; F293-L473 HydrophobicContact CD2-CD2 3.54Å; F293-L473 HydrophobicContact CE2-CD2 3.99Å; F293-L473 HydrophobicContact CG-CD1 4.17Å; F293-L473 HydrophobicContact CG-CD2 4.16Å | ||
| 294 | V | 98.1 | Very high | 97.1 | Very high | 15 Ų | 15 | 28.6 Ų | 28.6 | 9% | 0.091 | 15% | 0.148 | C | C | . | . | trans | -118.7 | 134.5 | 174.6 | -179.7 | 0 | 0 | 0 | 0 | 109.4 | G257 E292 Q325 I327 S491 | G257-V294 PolarHBondContact N-O 3.49Å; E292-V294 PolarHBondContact O-N 3.41Å; V294-Q325 CarbonylContact C-O 3.54Å; V294-Q325 WeakPolarHBondContact CA-O 3.05Å; V294-I327 HydrophobicContact CG1-CD1 3.4Å; V294-I327 VanDerWaalsContact CG1-CD1 3.4Å; V294-I327 HydrophobicContact CG1-CG1 3.98Å; V294-S491 VanDerWaalsContact CB-O 3.29Å; V294-S491 WeakPolarHBondContact CB-O 3.49Å; V294-S491 WeakPolarHBondContact CG1-O 3.49Å | ||
| 295 | F | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 140.1 | 179.8 | 178.1 | -105.4 | 0 | 0 | 0 | 110.4 | G257 C259 V283 M287 F293 C297 Q325 F326 I327 P468 | G257-F295 CarbonylContact O-C 3.6Å; G257-F295 VanDerWaalsContact O-CA 3.31Å; G257-F295 WeakPolarHBondContact O-CA 3.45Å; G257-F295 WeakPolarHBondContact O-CD2 3.47Å; C259-F295 HydrophobicContact CB-CE2 3.59Å; C259-F295 HydrophobicContact CB-CZ 3.52Å; V283-F295 HydrophobicContact CG1-CB 3.91Å; V283-F295 HydrophobicContact CG1-CD1 3.66Å; V283-F295 HydrophobicContact CG1-CD2 3.92Å; V283-F295 HydrophobicContact CG1-CE1 4.09Å; V283-F295 HydrophobicContact CG1-CE2 4.35Å; V283-F295 HydrophobicContact CG1-CG 3.55Å; V283-F295 HydrophobicContact CG1-CZ 4.42Å; V283-F295 HydrophobicContact CG2-CD2 4.04Å; V283-F295 HydrophobicContact CG2-CE1 4.43Å; V283-F295 HydrophobicContact CG2-CE2 3.81Å; V283-F295 HydrophobicContact CG2-CG 4.46Å; V283-F295 HydrophobicContact CG2-CZ 4.01Å; M287-F295 HydrophobicContact CE-CB 3.35Å; M287-F295 HydrophobicContact CE-CD1 4.47Å; M287-F295 HydrophobicContact CE-CG 4.26Å; F293-F295 HydrophobicContact CE1-CB 4.29Å; F293-F295 HydrophobicContact CE2-CB 4.39Å; F293-F295 HydrophobicContact CZ-CB 3.88Å; F293-F295 HydrophobicContact CZ-CD2 4.24Å; F293-F295 HydrophobicContact CZ-CG 4.46Å; F295-C297 HydrophobicContact CD1-CB 4.4Å; F295-C297 HydrophobicContact CE1-CB 3.68Å; F295-C297 HydrophobicContact CZ-CB 4.25Å; F295-Q325 PolarHBondContact N-O 2.86Å; F295-F326 HydrophobicContact CD1-CD1 4.2Å; F295-F326 AromaticContact CD1-CD2 3.76Å; F295-F326 HydrophobicContact CD1-CD2 3.76Å; F295-F326 AromaticContact CD1-CE1 3.97Å; F295-F326 HydrophobicContact CD1-CE1 3.97Å; F295-F326 AromaticContact CD1-CE2 3.54Å; F295-F326 HydrophobicContact CD1-CE2 3.54Å; F295-F326 HydrophobicContact CD1-CG 4.1Å; F295-F326 AromaticContact CD1-CZ 3.66Å; F295-F326 HydrophobicContact CD1-CZ 3.66Å; F295-F326 HydrophobicContact CE1-CD2 4.3Å; F295-F326 AromaticContact CE1-CE1 3.98Å; F295-F326 HydrophobicContact CE1-CE1 3.98Å; F295-F326 AromaticContact CE1-CE2 3.6Å; F295-F326 HydrophobicContact CE1-CE2 3.6Å; F295-F326 AromaticContact CE1-CZ 3.42Å; F295-F326 HydrophobicContact CE1-CZ 3.42Å; F295-F326 VanDerWaalsContact CE1-CZ 3.42Å; F295-I327 PolarHBondContact O-N 3.28Å; F295-P468 HydrophobicContact CD2-CG 4.17Å; F295-P468 HydrophobicContact CE2-CG 4.4Å |
| 296 | T | 97.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 137.6 | 178.1 | 51.8 | 0 | 0 | 0 | 0 | 110.7 | M256 G257 I327 V329 W369 P493 | M256-T296 HydrophobicContact CB-CG2 4.36Å; M256-T296 HydrophobicContact SD-CG2 4.36Å; G257-T296 PolarHBondContact O-N 2.92Å; G257-T296 PolarHBondContact O-OG1 2.96Å; G257-T296 VanDerWaalsContact O-OG1 3.1Å; T296-I327 WeakPolarHBondContact CA-O 3.14Å; T296-I327 HydrophobicContact CG2-CB 4.26Å; T296-V329 HydrophobicContact CG2-CG1 3.84Å; T296-W369 HydrophobicContact CG2-CH2 4.4Å; T296-P493 HydrophobicContact CG2-CG 3.82Å |
| 297 | C | 96.2 | Very high | 97.4 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 135.9 | 178 | -179 | 0 | 0 | 0 | 0 | 111.3 | W280 F295 F303 F326 I327 P328 V329 | W280-C297 WeakPolarHBondContact CZ2-SG 3.43Å; F295-C297 HydrophobicContact CD1-CB 4.4Å; F295-C297 HydrophobicContact CE1-CB 3.68Å; F295-C297 HydrophobicContact CZ-CB 4.25Å; C297-F303 HydrophobicContact CB-CE2 4.38Å; C297-F303 HydrophobicContact CB-CZ 4.09Å; C297-F326 HydrophobicContact CB-CE1 3.83Å; C297-F326 HydrophobicContact CB-CZ 4.15Å; C297-I327 PolarHBondContact N-O 3.22Å; C297-P328 CarbonylContact O-C 3.44Å; C297-P328 WeakPolarHBondContact O-CA 2.96Å; C297-V329 PolarHBondContact O-N 2.63Å |
| 298 | S | 96.3 | Very high | 97.3 | Very high | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | trans | -97.2 | -49.8 | -160.2 | 44 | 0 | 0 | 0 | 0 | 115.3 | A300 V329 E335 F357 | S298-A300 PolarHBondContact O-N 2.82Å; S298-V329 CarbonylContact C-O 3.59Å; S298-V329 WeakPolarHBondContact CA-O 3.48Å; S298-E335 WeakPolarHBondContact CB-OE1 3.21Å; S298-E335 PolarHBondContact OG-OE1 2.84Å; S298-F357 WeakPolarHBondContact O-CZ 3.41Å | ||
| 299 | Q | 97.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | trans | -87.8 | 113 | -158 | -61.8 | 170.1 | 49.8 | 0 | 0 | 112.6 | I261 S263 Q301 Q302 F303 E335 | I261-Q299 PolarHBondContact O-NE2 3.29Å; S263-Q299 PolarHBondContact OG-OE1 3.07Å; Q299-Q301 VanDerWaalsContact C-N 3.27Å; Q299-Q301 PolarHBondContact O-N 3.09Å; Q299-Q302 HydrophobicContact CB-CB 4.33Å; Q299-Q302 HydrophobicContact CB-CG 3.85Å; Q299-Q302 WeakPolarHBondContact O-CB 3.41Å; Q299-Q302 PolarHBondContact O-N 2.97Å; Q299-Q302 VanDerWaalsContact O-N 3.07Å; Q299-F303 VanDerWaalsContact O-CD2 3.26Å; Q299-F303 WeakPolarHBondContact O-CD2 3.32Å; Q299-E335 HydrophobicContact CG-CB 4.18Å; Q299-E335 HydrophobicContact CG-CG 3.69Å; Q299-E335 PolarHBondContact NE2-OE1 2.99Å | ||
| 300 | A | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -59.3 | -35 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S298 Q302 F303 E304 T332 W333 F356 F357 | S298-A300 PolarHBondContact O-N 2.82Å; A300-Q302 PolarHBondContact O-N 3.44Å; A300-F303 WeakPolarHBondContact O-CB 3.32Å; A300-F303 PolarHBondContact O-N 2.87Å; A300-F303 VanDerWaalsContact O-N 3.12Å; A300-E304 PolarHBondContact O-N 3.06Å; A300-T332 WeakPolarHBondContact CB-O 3.38Å; A300-T332 PolarHBondContact N-O 3.17Å; A300-W333 HydrophobicContact CB-CE3 3.89Å; A300-W333 HydrophobicContact CB-CZ3 4.22Å; A300-W333 PolarHBondContact N-O 2.97Å; A300-W333 VanDerWaalsContact N-O 3.13Å; A300-F356 HydrophobicContact CB-CB 4.15Å; A300-F356 HydrophobicContact CB-CD1 3.77Å; A300-F356 HydrophobicContact CB-CE1 4.5Å; A300-F356 HydrophobicContact CB-CG 4.08Å; A300-F357 HydrophobicContact CB-CE1 4.15Å; A300-F357 HydrophobicContact CB-CE2 4.31Å; A300-F357 HydrophobicContact CB-CZ 3.92Å |
| 301 | Q | 98.7 | Very high | 97.4 | Very high | 9 Ų | 9 | 35.2 Ų | 35.2 | 4% | 0.042 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -56 | -37.9 | 174.9 | 177.3 | 62 | 81.5 | 0 | 0 | 112.7 | Q299 E304 W305 W333 V334 L573 | Q299-Q301 VanDerWaalsContact C-N 3.27Å; Q299-Q301 PolarHBondContact O-N 3.09Å; Q301-E304 PolarHBondContact NE2-OE2 3.03Å; Q301-E304 PolarHBondContact O-N 3.45Å; Q301-W305 HydrophobicContact CG-CD2 4.1Å; Q301-W305 HydrophobicContact CG-CE3 4.27Å; Q301-W305 HydrophobicContact CG-CH2 3.71Å; Q301-W305 HydrophobicContact CG-CZ2 3.52Å; Q301-W305 HydrophobicContact CG-CZ3 4.08Å; Q301-W305 VanDerWaalsContact NE2-CD1 3.3Å; Q301-W305 VanDerWaalsContact NE2-CE2 3.29Å; Q301-W305 PolarHBondContact O-N 2.97Å; Q301-W333 HydrophobicContact CB-CD2 4.32Å; Q301-W333 HydrophobicContact CB-CZ2 4.16Å; Q301-W333 WeakPolarHBondContact CB-O 3.22Å; Q301-W333 HydrophobicContact CG-CZ2 4.45Å; Q301-W333 PolarHBondContact N-O 3.25Å; Q301-V334 HydrophobicContact CB-CG1 3.87Å; Q301-V334 HydrophobicContact CG-CG1 4.37Å; Q301-L573 HydrophobicContact CG-CD1 4.06Å |
| 302 | Q | 98.6 | Very high | 97.4 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -69.4 | -36.8 | 179.2 | -65.8 | -177.9 | -5.7 | 0 | 0 | 111.6 | I261 W280 Q299 A300 E304 W305 V306 | I261-Q302 PolarHBondContact O-NE2 2.87Å; W280-Q302 HydrophobicContact CH2-CB 3.58Å; W280-Q302 HydrophobicContact CZ2-CB 3.86Å; Q299-Q302 HydrophobicContact CB-CB 4.33Å; Q299-Q302 HydrophobicContact CB-CG 3.85Å; Q299-Q302 WeakPolarHBondContact O-CB 3.41Å; Q299-Q302 PolarHBondContact O-N 2.97Å; Q299-Q302 VanDerWaalsContact O-N 3.07Å; A300-Q302 PolarHBondContact O-N 3.44Å; Q302-E304 VanDerWaalsContact C-N 3.34Å; Q302-W305 HydrophobicContact CG-CE3 4.19Å; Q302-W305 HydrophobicContact CG-CZ3 4.17Å; Q302-W305 PolarHBondContact O-N 3.15Å; Q302-V306 WeakPolarHBondContact O-CG2 3.44Å; Q302-V306 PolarHBondContact O-N 3.4Å |
| 303 | F | 98.7 | Very high | 97.5 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | 172.2 | -70.3 | -92.1 | 0 | 0 | 0 | 111.6 | W280 C297 Q299 A300 V306 K307 F314 I317 F326 P328 F356 F357 F361 | W280-F303 HydrophobicContact CH2-CD1 4.19Å; W280-F303 HydrophobicContact CH2-CD2 4.06Å; W280-F303 HydrophobicContact CH2-CE1 4.42Å; W280-F303 HydrophobicContact CH2-CE2 4.28Å; W280-F303 HydrophobicContact CH2-CG 4.02Å; W280-F303 HydrophobicContact CH2-CZ 4.49Å; W280-F303 AromaticContact CZ3-CD1 3.94Å; W280-F303 HydrophobicContact CZ3-CD1 3.94Å; W280-F303 HydrophobicContact CZ3-CE1 4.31Å; W280-F303 HydrophobicContact CZ3-CG 4.12Å; C297-F303 HydrophobicContact CB-CE2 4.38Å; C297-F303 HydrophobicContact CB-CZ 4.09Å; Q299-F303 VanDerWaalsContact O-CD2 3.26Å; Q299-F303 WeakPolarHBondContact O-CD2 3.32Å; A300-F303 WeakPolarHBondContact O-CB 3.32Å; A300-F303 PolarHBondContact O-N 2.87Å; A300-F303 VanDerWaalsContact O-N 3.12Å; F303-V306 PolarHBondContact O-N 3.15Å; F303-K307 VanDerWaalsContact O-CB 3.24Å; F303-K307 WeakPolarHBondContact O-CB 3.47Å; F303-K307 PolarHBondContact O-N 3.16Å; F303-F314 HydrophobicContact CB-CE2 4.22Å; F303-F314 HydrophobicContact CD1-CE2 4.33Å; F303-I317 HydrophobicContact CD1-CG2 4.42Å; F303-I317 HydrophobicContact CE1-CG2 4.05Å; F303-F326 HydrophobicContact CE1-CD1 4.38Å; F303-F326 AromaticContact CE1-CE1 3.62Å; F303-F326 HydrophobicContact CE1-CE1 3.62Å; F303-F326 HydrophobicContact CE1-CZ 4.25Å; F303-F326 AromaticContact CZ-CE1 3.66Å; F303-F326 HydrophobicContact CZ-CE1 3.66Å; F303-F326 HydrophobicContact CZ-CZ 4.45Å; F303-P328 HydrophobicContact CZ-CB 4.13Å; F303-P328 HydrophobicContact CZ-CG 4.26Å; F303-F356 HydrophobicContact CB-CE1 3.39Å; F303-F356 HydrophobicContact CB-CZ 3.62Å; F303-F356 HydrophobicContact CG-CE1 4.22Å; F303-F357 AromaticContact CD2-CE1 3.65Å; F303-F357 HydrophobicContact CD2-CE1 3.65Å; F303-F357 HydrophobicContact CD2-CZ 4.16Å; F303-F357 AromaticContact CE2-CE1 3.63Å; F303-F357 HydrophobicContact CE2-CE1 3.63Å; F303-F357 AromaticContact CE2-CZ 3.95Å; F303-F357 HydrophobicContact CE2-CZ 3.95Å; F303-F357 HydrophobicContact CG-CE1 4.3Å; F303-F357 HydrophobicContact CZ-CE1 4.24Å; F303-F361 AromaticContact CD1-CE2 3.99Å; F303-F361 HydrophobicContact CD1-CE2 3.99Å; F303-F361 AromaticContact CD1-CZ 3.7Å; F303-F361 HydrophobicContact CD1-CZ 3.7Å; F303-F361 HydrophobicContact CE1-CE2 4.18Å; F303-F361 AromaticContact CE1-CZ 3.97Å; F303-F361 HydrophobicContact CE1-CZ 3.97Å; F303-F361 HydrophobicContact CG-CE2 4.45Å; F303-F361 HydrophobicContact CG-CZ 4.5Å |
| 304 | E | 98.5 | Very high | 97.6 | Very high | 54 Ų | 54 | 27 Ų | 27 | 25% | 0.252 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -63.8 | -40.2 | 176.4 | -169.5 | -103.3 | -175.5 | 0 | 0 | 112 | A300 Q301 Q302 S308 W333 F356 | A300-E304 PolarHBondContact O-N 3.06Å; Q301-E304 PolarHBondContact NE2-OE2 3.03Å; Q301-E304 PolarHBondContact O-N 3.45Å; Q302-E304 VanDerWaalsContact C-N 3.34Å; E304-S308 WeakPolarHBondContact O-CB 3.31Å; E304-S308 PolarHBondContact O-N 2.77Å; E304-S308 VanDerWaalsContact O-N 3.08Å; E304-S308 PolarHBondContact O-OG 2.76Å; E304-W333 HydrophobicContact CB-CH2 3.98Å; E304-W333 HydrophobicContact CG-CH2 4.06Å; E304-F356 HydrophobicContact CB-CE2 3.78Å; E304-F356 HydrophobicContact CB-CZ 4.15Å; E304-F356 HydrophobicContact CG-CE2 4.19Å |
| 305 | W | 98.4 | Very high | 97.5 | Very high | 24 Ų | 24 | 29 Ų | 29 | 9% | 0.091 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.3 | -47.1 | 171.2 | -71.1 | -24.6 | 0 | 0 | 0 | 112.5 | Y269 T272 I273 Q301 Q302 K307 S308 W309 L573 | Y269-W305 HydrophobicContact CD1-CH2 4.06Å; Y269-W305 HydrophobicContact CD1-CZ2 4.43Å; T272-W305 HydrophobicContact CG2-CE3 4.25Å; T272-W305 HydrophobicContact CG2-CZ3 3.72Å; I273-W305 HydrophobicContact CD1-CG 4.28Å; I273-W305 HydrophobicContact CG1-CB 4.07Å; I273-W305 HydrophobicContact CG1-CD2 3.86Å; I273-W305 HydrophobicContact CG1-CE3 4.21Å; I273-W305 HydrophobicContact CG1-CG 3.81Å; I273-W305 HydrophobicContact CG2-CB 4.43Å; Q301-W305 HydrophobicContact CG-CD2 4.1Å; Q301-W305 HydrophobicContact CG-CE3 4.27Å; Q301-W305 HydrophobicContact CG-CH2 3.71Å; Q301-W305 HydrophobicContact CG-CZ2 3.52Å; Q301-W305 HydrophobicContact CG-CZ3 4.08Å; Q301-W305 VanDerWaalsContact NE2-CD1 3.3Å; Q301-W305 VanDerWaalsContact NE2-CE2 3.29Å; Q301-W305 PolarHBondContact O-N 2.97Å; Q302-W305 HydrophobicContact CG-CE3 4.19Å; Q302-W305 HydrophobicContact CG-CZ3 4.17Å; Q302-W305 PolarHBondContact O-N 3.15Å; W305-K307 VanDerWaalsContact C-N 3.35Å; W305-K307 PolarHBondContact O-N 3.1Å; W305-S308 PolarHBondContact O-N 2.81Å; W305-W309 WeakPolarHBondContact O-CB 3.31Å; W305-W309 PolarHBondContact O-N 2.97Å; W305-L573 HydrophobicContact CH2-CD1 3.92Å; W305-L573 HydrophobicContact CZ2-CD1 4.01Å; W305-L573 HydrophobicContact CZ2-CD2 4.06Å |
| 306 | V | 98.3 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66.1 | -37.7 | 179.3 | 170.4 | 0 | 0 | 0 | 0 | 111.7 | C276 W280 Q302 F303 S308 Y310 L313 F314 I317 | C276-V306 HydrophobicContact CB-CG2 3.59Å; W280-V306 HydrophobicContact CE3-CB 4.13Å; W280-V306 HydrophobicContact CE3-CG1 4.11Å; W280-V306 HydrophobicContact CE3-CG2 3.66Å; W280-V306 HydrophobicContact CH2-CG2 4.37Å; W280-V306 HydrophobicContact CZ3-CB 3.88Å; W280-V306 HydrophobicContact CZ3-CG1 4.27Å; W280-V306 HydrophobicContact CZ3-CG2 3.57Å; Q302-V306 WeakPolarHBondContact O-CG2 3.44Å; Q302-V306 PolarHBondContact O-N 3.4Å; F303-V306 PolarHBondContact O-N 3.15Å; V306-S308 VanDerWaalsContact C-N 3.28Å; V306-S308 PolarHBondContact O-N 2.79Å; V306-Y310 CarbonylContact O-C 3.56Å; V306-Y310 VanDerWaalsContact O-CA 3.28Å; V306-Y310 WeakPolarHBondContact O-CA 3.47Å; V306-Y310 PolarHBondContact O-N 2.91Å; V306-L313 HydrophobicContact CG1-CD2 4.15Å; V306-L313 HydrophobicContact CG1-CG 4.27Å; V306-F314 HydrophobicContact CG1-CB 4.33Å; V306-F314 HydrophobicContact CG1-CD2 4.48Å; V306-I317 HydrophobicContact CG1-CD1 4.1Å |
| 307 | K | 98.1 | Very high | 97.6 | Very high | 79 Ų | 79 | 33.3 Ų | 33.3 | 34% | 0.343 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.1 | -43.3 | 172.2 | 177.6 | 176.8 | 174.6 | 170.4 | 0 | 111.4 | F303 W305 F314 E360 | F303-K307 VanDerWaalsContact O-CB 3.24Å; F303-K307 WeakPolarHBondContact O-CB 3.47Å; F303-K307 PolarHBondContact O-N 3.16Å; W305-K307 VanDerWaalsContact C-N 3.35Å; W305-K307 PolarHBondContact O-N 3.1Å; K307-F314 HydrophobicContact CB-CD1 4.02Å; K307-F314 HydrophobicContact CB-CD2 3.79Å; K307-F314 HydrophobicContact CB-CE1 4.13Å; K307-F314 HydrophobicContact CB-CE2 3.92Å; K307-F314 HydrophobicContact CB-CG 3.84Å; K307-F314 HydrophobicContact CB-CZ 4.08Å; K307-F314 HydrophobicContact CD-CD1 4.45Å; K307-F314 HydrophobicContact CD-CE1 3.94Å; K307-F314 HydrophobicContact CD-CZ 4.09Å; K307-F314 HydrophobicContact CG-CD1 3.96Å; K307-F314 HydrophobicContact CG-CE1 3.96Å; K307-F314 HydrophobicContact CG-CG 4.27Å; K307-F314 HydrophobicContact CG-CZ 4.28Å; K307-E360 IonicContact NZ-OE1 3.43Å; K307-E360 PolarHBondContact NZ-OE1 2.83Å; K307-E360 IonicContact NZ-OE2 2.78Å; K307-E360 PolarHBondContact NZ-OE2 3.05Å |
| 308 | S | 96.6 | Very high | 97.7 | Very high | 76 Ų | 76 | 36 Ų | 36 | 53% | 0.531 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -76 | -42.6 | -176.6 | -58.7 | 0 | 0 | 0 | 0 | 113 | E304 W305 V306 | E304-S308 WeakPolarHBondContact O-CB 3.31Å; E304-S308 PolarHBondContact O-N 2.77Å; E304-S308 VanDerWaalsContact O-N 3.08Å; E304-S308 PolarHBondContact O-OG 2.76Å; W305-S308 PolarHBondContact O-N 2.81Å; V306-S308 VanDerWaalsContact C-N 3.28Å; V306-S308 PolarHBondContact O-N 2.79Å |
| 309 | W | 96.1 | Very high | 97.8 | Very high | 140 Ų | 140 | 39.9 Ų | 39.9 | 53% | 0.53 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -98.3 | -26 | -171.7 | -72.1 | 87.6 | 0 | 0 | 0 | 114.5 | P55 I273 W305 | P55-W309 HydrophobicContact CG-CZ3 4.32Å; I273-W309 HydrophobicContact CG2-CB 3.84Å; I273-W309 HydrophobicContact CG2-CD2 4.12Å; I273-W309 HydrophobicContact CG2-CG 3.58Å; W305-W309 WeakPolarHBondContact O-CB 3.31Å; W305-W309 PolarHBondContact O-N 2.97Å |
| 310 | Y | 96.4 | Very high | 97.8 | Very high | 24 Ų | 24 | 40.8 Ų | 40.8 | 9% | 0.094 | 22% | 0.215 | C | C | . | . | trans | -133.6 | 59.6 | -178.3 | -54.4 | -82.5 | 0 | 0 | 0 | 111.7 | W110 P115 I273 V306 G312 L313 F314 | W110-Y310 HydrophobicContact CH2-CD1 4.32Å; W110-Y310 AromaticContact CH2-CE1 3.84Å; W110-Y310 HydrophobicContact CH2-CE1 3.84Å; W110-Y310 HydrophobicContact CZ2-CE1 4.12Å; P115-Y310 HydrophobicContact CG-CD1 4.16Å; I273-Y310 HydrophobicContact CG2-CE2 4.21Å; I273-Y310 WeakPolarHBondContact O-CE2 3.17Å; V306-Y310 CarbonylContact O-C 3.56Å; V306-Y310 VanDerWaalsContact O-CA 3.28Å; V306-Y310 WeakPolarHBondContact O-CA 3.47Å; V306-Y310 PolarHBondContact O-N 2.91Å; Y310-G312 PolarHBondContact O-N 2.91Å; Y310-G312 VanDerWaalsContact O-N 3.12Å; Y310-L313 WeakPolarHBondContact O-CA 3.5Å; Y310-L313 WeakPolarHBondContact O-CB 3.36Å; Y310-L313 PolarHBondContact O-N 3.1Å; Y310-F314 PolarHBondContact O-N 3.44Å | ||
| 311 | P | 95.8 | Very high | 97.8 | Very high | 85 Ų | 85 | 41.5 Ų | 41.5 | 55% | 0.552 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -58.7 | -32.7 | -172.3 | 22.5 | -34.6 | 0 | 0 | 0 | 113.8 | F314 S315 | P311-F314 PolarHBondContact O-N 3.41Å; P311-S315 PolarHBondContact O-N 3.05Å |
| 312 | G | 95.5 | Very high | 97.7 | Very high | 37 Ų | 37 | 47.1 Ų | 47.1 | 38% | 0.381 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -66.3 | -37.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y310 K316 | Y310-G312 PolarHBondContact O-N 2.91Å; Y310-G312 VanDerWaalsContact O-N 3.12Å; G312-K316 PolarHBondContact O-N 3.25Å |
| 313 | L | 97.3 | Very high | 97.6 | Very high | 9 Ų | 9 | 53.2 Ų | 53.2 | 5% | 0.047 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.5 | -43.1 | 172.7 | 174.7 | 59.3 | 0 | 0 | 0 | 110.5 | W280 V281 V284 V306 Y310 S315 K316 I317 | W280-L313 HydrophobicContact CB-CD2 4.31Å; V281-L313 HydrophobicContact CB-CD1 4.11Å; V281-L313 HydrophobicContact CB-CD2 4.17Å; V281-L313 HydrophobicContact CG2-CD1 4.3Å; V284-L313 HydrophobicContact CB-CD1 4.46Å; V284-L313 HydrophobicContact CG2-CD1 4.05Å; V306-L313 HydrophobicContact CG1-CD2 4.15Å; V306-L313 HydrophobicContact CG1-CG 4.27Å; Y310-L313 WeakPolarHBondContact O-CA 3.5Å; Y310-L313 WeakPolarHBondContact O-CB 3.36Å; Y310-L313 PolarHBondContact O-N 3.1Å; L313-S315 VanDerWaalsContact C-N 3.31Å; L313-S315 PolarHBondContact O-N 2.97Å; L313-K316 WeakPolarHBondContact O-CB 3.14Å; L313-K316 PolarHBondContact O-N 3.31Å; L313-K316 VanDerWaalsContact O-N 3.08Å; L313-I317 HydrophobicContact CD1-CD1 4.37Å; L313-I317 HydrophobicContact CD1-CG1 4.41Å; L313-I317 HydrophobicContact CG-CD1 4.03Å; L313-I317 WeakPolarHBondContact O-CG1 3.35Å; L313-I317 PolarHBondContact O-N 3.03Å |
| 314 | F | 98.4 | Very high | 97.5 | Very high | 10 Ų | 10 | 55.2 Ų | 55.2 | 4% | 0.044 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58 | -42.2 | 177.8 | -171.3 | -103 | 0 | 0 | 0 | 112.4 | F303 V306 K307 Y310 P311 K316 I317 Q318 E360 F361 | F303-F314 HydrophobicContact CB-CE2 4.22Å; F303-F314 HydrophobicContact CD1-CE2 4.33Å; V306-F314 HydrophobicContact CG1-CB 4.33Å; V306-F314 HydrophobicContact CG1-CD2 4.48Å; K307-F314 HydrophobicContact CB-CD1 4.02Å; K307-F314 HydrophobicContact CB-CD2 3.79Å; K307-F314 HydrophobicContact CB-CE1 4.13Å; K307-F314 HydrophobicContact CB-CE2 3.92Å; K307-F314 HydrophobicContact CB-CG 3.84Å; K307-F314 HydrophobicContact CB-CZ 4.08Å; K307-F314 HydrophobicContact CD-CD1 4.45Å; K307-F314 HydrophobicContact CD-CE1 3.94Å; K307-F314 HydrophobicContact CD-CZ 4.09Å; K307-F314 HydrophobicContact CG-CD1 3.96Å; K307-F314 HydrophobicContact CG-CE1 3.96Å; K307-F314 HydrophobicContact CG-CG 4.27Å; K307-F314 HydrophobicContact CG-CZ 4.28Å; Y310-F314 PolarHBondContact O-N 3.44Å; P311-F314 PolarHBondContact O-N 3.41Å; F314-K316 VanDerWaalsContact C-N 3.32Å; F314-K316 PolarHBondContact O-N 3.32Å; F314-I317 WeakPolarHBondContact O-CB 3.44Å; F314-I317 PolarHBondContact O-N 3.1Å; F314-I317 VanDerWaalsContact O-N 3.1Å; F314-Q318 HydrophobicContact CD1-CG 4.27Å; F314-Q318 HydrophobicContact CE1-CG 3.97Å; F314-Q318 HydrophobicContact CZ-CG 4.41Å; F314-Q318 PolarHBondContact O-N 3.45Å; F314-E360 HydrophobicContact CZ-CB 4.16Å; F314-E360 HydrophobicContact CZ-CG 4.23Å; F314-F361 HydrophobicContact CE2-CE1 4.41Å; F314-F361 AromaticContact CE2-CZ 3.87Å; F314-F361 HydrophobicContact CE2-CZ 3.87Å; F314-F361 HydrophobicContact CZ-CE1 4.19Å; F314-F361 AromaticContact CZ-CZ 3.9Å; F314-F361 HydrophobicContact CZ-CZ 3.9Å |
| 315 | S | 98.1 | Very high | 97.5 | Very high | 59 Ų | 59 | 53.7 Ų | 53.7 | 41% | 0.413 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.3 | -41.2 | 174.2 | 179.7 | 0 | 0 | 0 | 0 | 112.4 | P311 L313 I317 Q318 D319 | P311-S315 PolarHBondContact O-N 3.05Å; L313-S315 VanDerWaalsContact C-N 3.31Å; L313-S315 PolarHBondContact O-N 2.97Å; S315-I317 VanDerWaalsContact C-N 3.34Å; S315-Q318 WeakPolarHBondContact O-CB 3.27Å; S315-Q318 PolarHBondContact O-N 3.31Å; S315-D319 PolarHBondContact O-N 2.63Å |
| 316 | K | 98.1 | Very high | 97.5 | Very high | 90 Ų | 90 | 52.6 Ų | 52.6 | 39% | 0.391 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66 | -37.8 | 174.4 | -68.5 | -170.7 | 174.2 | -162.3 | 0 | 112 | V284 E288 G312 L313 F314 Q318 D319 Y320 | V284-K316 HydrophobicContact CG1-CB 4.06Å; V284-K316 HydrophobicContact CG1-CD 3.77Å; E288-K316 IonicContact OE1-NZ 2.63Å; E288-K316 PolarHBondContact OE1-NZ 2.83Å; E288-K316 VanDerWaalsContact OE1-NZ 3.08Å; G312-K316 PolarHBondContact O-N 3.25Å; L313-K316 WeakPolarHBondContact O-CB 3.14Å; L313-K316 PolarHBondContact O-N 3.31Å; L313-K316 VanDerWaalsContact O-N 3.08Å; F314-K316 VanDerWaalsContact C-N 3.32Å; F314-K316 PolarHBondContact O-N 3.32Å; K316-Q318 VanDerWaalsContact C-N 3.33Å; K316-D319 WeakPolarHBondContact O-CB 3.44Å; K316-D319 PolarHBondContact O-N 2.96Å; K316-Y320 VanDerWaalsContact O-CD2 3.28Å; K316-Y320 WeakPolarHBondContact O-CD2 3.49Å; K316-Y320 PolarHBondContact O-N 2.95Å; K316-Y320 VanDerWaalsContact O-N 3.08Å |
| 317 | I | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60 | -47.3 | 175.4 | -69.2 | 167.4 | 0 | 0 | 0 | 109.4 | W280 V284 F303 V306 L313 F314 S315 D319 Y320 V321 F326 F361 | W280-I317 HydrophobicContact CB-CD1 4.29Å; W280-I317 HydrophobicContact CD2-CD1 4.4Å; W280-I317 HydrophobicContact CE3-CD1 3.54Å; W280-I317 HydrophobicContact CZ3-CD1 4.24Å; V284-I317 HydrophobicContact CG2-CG1 4.13Å; F303-I317 HydrophobicContact CD1-CG2 4.42Å; F303-I317 HydrophobicContact CE1-CG2 4.05Å; V306-I317 HydrophobicContact CG1-CD1 4.1Å; L313-I317 HydrophobicContact CD1-CD1 4.37Å; L313-I317 HydrophobicContact CD1-CG1 4.41Å; L313-I317 HydrophobicContact CG-CD1 4.03Å; L313-I317 WeakPolarHBondContact O-CG1 3.35Å; L313-I317 PolarHBondContact O-N 3.03Å; F314-I317 WeakPolarHBondContact O-CB 3.44Å; F314-I317 PolarHBondContact O-N 3.1Å; F314-I317 VanDerWaalsContact O-N 3.1Å; S315-I317 VanDerWaalsContact C-N 3.34Å; I317-D319 VanDerWaalsContact C-N 3.27Å; I317-D319 PolarHBondContact O-N 2.75Å; I317-Y320 CarbonylContact O-C 3.49Å; I317-Y320 PolarHBondContact O-N 3.08Å; I317-V321 HydrophobicContact CG2-CG2 4.09Å; I317-V321 VanDerWaalsContact O-CG2 3.28Å; I317-V321 WeakPolarHBondContact O-CG2 3.28Å; I317-V321 PolarHBondContact O-N 3.26Å; I317-F326 HydrophobicContact CD1-CE2 4.42Å; I317-F326 HydrophobicContact CD1-CZ 4.5Å; I317-F326 HydrophobicContact CG1-CD2 4.38Å; I317-F326 HydrophobicContact CG1-CE2 4.09Å; I317-F326 HydrophobicContact CG2-CD1 4.06Å; I317-F326 HydrophobicContact CG2-CD2 4.27Å; I317-F326 HydrophobicContact CG2-CE1 4.09Å; I317-F326 HydrophobicContact CG2-CE2 4.28Å; I317-F326 HydrophobicContact CG2-CG 4.15Å; I317-F326 HydrophobicContact CG2-CZ 4.18Å; I317-F361 HydrophobicContact CG2-CE1 4.47Å |
| 318 | Q | 98.5 | Very high | 97.5 | Very high | 58 Ų | 58 | 50.4 Ų | 50.4 | 27% | 0.271 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -54.2 | -43 | 175.3 | -70.8 | -179.9 | -63 | 0 | 0 | 112.2 | F314 S315 K316 Y320 V321 N322 E360 F361 | F314-Q318 HydrophobicContact CD1-CG 4.27Å; F314-Q318 HydrophobicContact CE1-CG 3.97Å; F314-Q318 HydrophobicContact CZ-CG 4.41Å; F314-Q318 PolarHBondContact O-N 3.45Å; S315-Q318 WeakPolarHBondContact O-CB 3.27Å; S315-Q318 PolarHBondContact O-N 3.31Å; K316-Q318 VanDerWaalsContact C-N 3.33Å; Q318-Y320 PolarHBondContact O-N 3Å; Q318-V321 PolarHBondContact O-N 3.05Å; Q318-N322 PolarHBondContact O-N 3.43Å; Q318-N322 PolarHBondContact O-ND2 3.41Å; Q318-E360 PolarHBondContact NE2-O 3.41Å; Q318-E360 VanDerWaalsContact NE2-O 3.17Å; Q318-F361 HydrophobicContact CB-CE1 4.49Å; Q318-F361 HydrophobicContact CG-CD1 4.04Å; Q318-F361 HydrophobicContact CG-CE1 3.65Å |
| 319 | D | 98.3 | Very high | 97.6 | Very high | 83 Ų | 83 | 46.8 Ų | 46.8 | 44% | 0.444 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 176.1 | -68 | -23.2 | 0 | 0 | 0 | 112.6 | S315 K316 I317 N322 K323 | S315-D319 PolarHBondContact O-N 2.63Å; K316-D319 WeakPolarHBondContact O-CB 3.44Å; K316-D319 PolarHBondContact O-N 2.96Å; I317-D319 VanDerWaalsContact C-N 3.27Å; I317-D319 PolarHBondContact O-N 2.75Å; D319-N322 PolarHBondContact O-N 3.36Å; D319-K323 WeakPolarHBondContact O-CG 3.42Å; D319-K323 PolarHBondContact O-N 2.93Å; D319-K323 VanDerWaalsContact O-N 3.09Å |
| 320 | Y | 98.4 | Very high | 97.6 | Very high | 19 Ų | 19 | 40.1 Ų | 40.1 | 8% | 0.075 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -77 | -24 | 179.4 | -78.5 | -70.9 | 0 | 0 | 0 | 113.9 | V284 M287 E288 K316 I317 Q318 K323 G324 Q325 F326 | V284-Y320 HydrophobicContact CG1-CD2 4.17Å; V284-Y320 HydrophobicContact CG1-CE2 3.84Å; V284-Y320 HydrophobicContact CG2-CD2 4.41Å; M287-Y320 HydrophobicContact CB-CD1 3.78Å; M287-Y320 HydrophobicContact CB-CE1 3.5Å; M287-Y320 VanDerWaalsContact CB-CE1 3.5Å; M287-Y320 HydrophobicContact CB-CE2 4.37Å; M287-Y320 HydrophobicContact CB-CG 4.33Å; M287-Y320 HydrophobicContact CG-CD1 4.3Å; M287-Y320 HydrophobicContact CG-CE1 4.48Å; M287-Y320 HydrophobicContact SD-CD1 3.72Å; M287-Y320 HydrophobicContact SD-CD2 4.2Å; M287-Y320 HydrophobicContact SD-CE1 4.4Å; M287-Y320 HydrophobicContact SD-CG 3.61Å; E288-Y320 WeakPolarHBondContact CA-OH 3.41Å; E288-Y320 HydrophobicContact CG-CE2 4.41Å; E288-Y320 WeakPolarHBondContact CG-OH 3.42Å; E288-Y320 PolarHBondContact N-OH 3.4Å; K316-Y320 VanDerWaalsContact O-CD2 3.28Å; K316-Y320 WeakPolarHBondContact O-CD2 3.49Å; K316-Y320 PolarHBondContact O-N 2.95Å; K316-Y320 VanDerWaalsContact O-N 3.08Å; I317-Y320 CarbonylContact O-C 3.49Å; I317-Y320 PolarHBondContact O-N 3.08Å; Q318-Y320 PolarHBondContact O-N 3Å; Y320-K323 HydrophobicContact CD1-CD 3.86Å; Y320-K323 HydrophobicContact CE1-CD 4.01Å; Y320-K323 PolarHBondContact O-N 2.59Å; Y320-G324 PolarHBondContact O-N 2.88Å; Y320-Q325 HydrophobicContact CD1-CB 4.12Å; Y320-Q325 PolarHBondContact O-N 2.95Å; Y320-F326 PolarHBondContact O-N 2.87Å |
| 321 | V | 98.3 | Very high | 97.6 | Very high | 15 Ų | 15 | 39 Ų | 39 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -65.3 | -47.4 | 166.8 | 176.2 | 0 | 0 | 0 | 0 | 109.9 | I317 Q318 K323 G324 F326 P328 F361 | I317-V321 HydrophobicContact CG2-CG2 4.09Å; I317-V321 VanDerWaalsContact O-CG2 3.28Å; I317-V321 WeakPolarHBondContact O-CG2 3.28Å; I317-V321 PolarHBondContact O-N 3.26Å; Q318-V321 PolarHBondContact O-N 3.05Å; V321-K323 PolarHBondContact O-N 2.89Å; V321-G324 PolarHBondContact O-N 3.31Å; V321-F326 VanDerWaalsContact CA-O 3.25Å; V321-F326 WeakPolarHBondContact CA-O 3.47Å; V321-F326 HydrophobicContact CG2-CB 4.09Å; V321-F326 HydrophobicContact CG2-CD1 4.18Å; V321-F326 HydrophobicContact CG2-CG 4.45Å; V321-F326 VanDerWaalsContact CG2-O 3.32Å; V321-F326 WeakPolarHBondContact CG2-O 3.2Å; V321-P328 HydrophobicContact CG1-CG 4.26Å; V321-P328 HydrophobicContact CG2-CG 4.04Å; V321-F361 HydrophobicContact CB-CD1 4.09Å; V321-F361 HydrophobicContact CG1-CB 3.97Å; V321-F361 HydrophobicContact CG1-CD1 3.97Å; V321-F361 HydrophobicContact CG1-CG 4.08Å; V321-F361 HydrophobicContact CG2-CD1 3.95Å; V321-F361 HydrophobicContact CG2-CE1 3.97Å |
| 322 | N | 97.3 | Very high | 97.8 | Very high | 126 Ų | 126 | 35 Ų | 35 | 67% | 0.674 | 20% | 0.196 | S | C | * | . | H | α-helix | trans | -61.7 | -30.4 | 176.2 | -71.4 | -33 | 0 | 0 | 0 | 113.2 | Q318 D319 G324 | Q318-N322 PolarHBondContact O-N 3.43Å; Q318-N322 PolarHBondContact O-ND2 3.41Å; D319-N322 PolarHBondContact O-N 3.36Å; N322-G324 VanDerWaalsContact C-N 3.29Å |
| 323 | K | 97 | Very high | 97.9 | Very high | 129 Ų | 129 | 33.2 Ų | 33.2 | 56% | 0.561 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | -8.9 | 173.5 | -69.6 | 170.1 | -175.4 | 172.6 | 0 | 113.9 | D319 Y320 V321 Q325 | D319-K323 WeakPolarHBondContact O-CG 3.42Å; D319-K323 PolarHBondContact O-N 2.93Å; D319-K323 VanDerWaalsContact O-N 3.09Å; Y320-K323 HydrophobicContact CD1-CD 3.86Å; Y320-K323 HydrophobicContact CE1-CD 4.01Å; Y320-K323 PolarHBondContact O-N 2.59Å; V321-K323 PolarHBondContact O-N 2.89Å; K323-Q325 VanDerWaalsContact C-N 3.32Å; K323-Q325 HydrophobicContact CB-CG 4.41Å |
| 324 | G | 96.5 | Very high | 98 | Very high | 42 Ų | 42 | 32.8 Ų | 32.8 | 43% | 0.433 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 72.1 | 21.4 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y320 V321 N322 | Y320-G324 PolarHBondContact O-N 2.88Å; V321-G324 PolarHBondContact O-N 3.31Å; N322-G324 VanDerWaalsContact C-N 3.29Å |
| 325 | Q | 97.8 | Very high | 98 | Very high | 22 Ų | 22 | 32.3 Ų | 32.3 | 10% | 0.103 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -98.6 | -39.2 | 177.4 | -67.8 | -171.9 | -95.9 | 0 | 0 | 112.2 | M287 N290 P291 F293 V294 F295 Y320 K323 | M287-Q325 HydrophobicContact CE-CB 4.22Å; M287-Q325 VanDerWaalsContact CE-O 3.31Å; M287-Q325 WeakPolarHBondContact CE-O 3.3Å; M287-Q325 HydrophobicContact CG-CB 4.47Å; M287-Q325 HydrophobicContact SD-CB 4.06Å; N290-Q325 PolarHBondContact O-NE2 3.27Å; P291-Q325 PolarHBondContact O-NE2 3.15Å; F293-Q325 PolarHBondContact O-NE2 2.89Å; F293-Q325 VanDerWaalsContact O-NE2 3.13Å; V294-Q325 CarbonylContact C-O 3.54Å; V294-Q325 WeakPolarHBondContact CA-O 3.05Å; F295-Q325 PolarHBondContact N-O 2.86Å; Y320-Q325 HydrophobicContact CD1-CB 4.12Å; Y320-Q325 PolarHBondContact O-N 2.95Å; K323-Q325 VanDerWaalsContact C-N 3.32Å; K323-Q325 HydrophobicContact CB-CG 4.41Å |
| 326 | F | 98.5 | Very high | 98 | Very high | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 113.2 | 172.2 | -160 | -63.2 | 0 | 0 | 0 | 107.9 | W280 V283 M287 F295 C297 F303 I317 Y320 V321 P328 | W280-F326 HydrophobicContact CD2-CZ 4.23Å; W280-F326 HydrophobicContact CE3-CZ 4.45Å; W280-F326 HydrophobicContact CG-CZ 4.4Å; V283-F326 HydrophobicContact CG1-CD2 4.26Å; V283-F326 HydrophobicContact CG1-CE2 4.19Å; M287-F326 HydrophobicContact CE-CB 3.78Å; M287-F326 HydrophobicContact CE-CD2 3.84Å; M287-F326 HydrophobicContact CE-CG 4.16Å; M287-F326 HydrophobicContact SD-CB 4.2Å; M287-F326 HydrophobicContact SD-CD2 4.31Å; F295-F326 HydrophobicContact CD1-CD1 4.2Å; F295-F326 AromaticContact CD1-CD2 3.76Å; F295-F326 HydrophobicContact CD1-CD2 3.76Å; F295-F326 AromaticContact CD1-CE1 3.97Å; F295-F326 HydrophobicContact CD1-CE1 3.97Å; F295-F326 AromaticContact CD1-CE2 3.54Å; F295-F326 HydrophobicContact CD1-CE2 3.54Å; F295-F326 HydrophobicContact CD1-CG 4.1Å; F295-F326 AromaticContact CD1-CZ 3.66Å; F295-F326 HydrophobicContact CD1-CZ 3.66Å; F295-F326 HydrophobicContact CE1-CD2 4.3Å; F295-F326 AromaticContact CE1-CE1 3.98Å; F295-F326 HydrophobicContact CE1-CE1 3.98Å; F295-F326 AromaticContact CE1-CE2 3.6Å; F295-F326 HydrophobicContact CE1-CE2 3.6Å; F295-F326 AromaticContact CE1-CZ 3.42Å; F295-F326 HydrophobicContact CE1-CZ 3.42Å; F295-F326 VanDerWaalsContact CE1-CZ 3.42Å; C297-F326 HydrophobicContact CB-CE1 3.83Å; C297-F326 HydrophobicContact CB-CZ 4.15Å; F303-F326 HydrophobicContact CE1-CD1 4.38Å; F303-F326 AromaticContact CE1-CE1 3.62Å; F303-F326 HydrophobicContact CE1-CE1 3.62Å; F303-F326 HydrophobicContact CE1-CZ 4.25Å; F303-F326 AromaticContact CZ-CE1 3.66Å; F303-F326 HydrophobicContact CZ-CE1 3.66Å; F303-F326 HydrophobicContact CZ-CZ 4.45Å; I317-F326 HydrophobicContact CD1-CE2 4.42Å; I317-F326 HydrophobicContact CD1-CZ 4.5Å; I317-F326 HydrophobicContact CG1-CD2 4.38Å; I317-F326 HydrophobicContact CG1-CE2 4.09Å; I317-F326 HydrophobicContact CG2-CD1 4.06Å; I317-F326 HydrophobicContact CG2-CD2 4.27Å; I317-F326 HydrophobicContact CG2-CE1 4.09Å; I317-F326 HydrophobicContact CG2-CE2 4.28Å; I317-F326 HydrophobicContact CG2-CG 4.15Å; I317-F326 HydrophobicContact CG2-CZ 4.18Å; Y320-F326 PolarHBondContact O-N 2.87Å; V321-F326 VanDerWaalsContact CA-O 3.25Å; V321-F326 WeakPolarHBondContact CA-O 3.47Å; V321-F326 HydrophobicContact CG2-CB 4.09Å; V321-F326 HydrophobicContact CG2-CD1 4.18Å; V321-F326 HydrophobicContact CG2-CG 4.45Å; V321-F326 VanDerWaalsContact CG2-O 3.32Å; V321-F326 WeakPolarHBondContact CG2-O 3.2Å; F326-P328 WeakPolarHBondContact O-CD 3.31Å |
| 327 | I | 98.2 | Very high | 98 | Very high | 29 Ų | 29 | 25.3 Ų | 25.3 | 15% | 0.149 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 110 | -171.6 | -55.7 | -174.9 | 0 | 0 | 0 | 108.9 | V294 F295 T296 C297 V329 | V294-I327 HydrophobicContact CG1-CD1 3.4Å; V294-I327 VanDerWaalsContact CG1-CD1 3.4Å; V294-I327 HydrophobicContact CG1-CG1 3.98Å; F295-I327 PolarHBondContact O-N 3.28Å; T296-I327 WeakPolarHBondContact CA-O 3.14Å; T296-I327 HydrophobicContact CG2-CB 4.26Å; C297-I327 PolarHBondContact N-O 3.22Å; I327-V329 HydrophobicContact CG2-CG1 3.88Å; I327-V329 PolarHBondContact O-N 2.98Å |
| 328 | P | 98.1 | Very high | 98 | Very high | 5 Ų | 5 | 25.3 Ų | 25.3 | 3% | 0.032 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 127.2 | 166.5 | -16 | 31.7 | 0 | 0 | 0 | 109.5 | C297 F303 V321 F326 F357 F361 I363 C365 | C297-P328 CarbonylContact O-C 3.44Å; C297-P328 WeakPolarHBondContact O-CA 2.96Å; F303-P328 HydrophobicContact CZ-CB 4.13Å; F303-P328 HydrophobicContact CZ-CG 4.26Å; V321-P328 HydrophobicContact CG1-CG 4.26Å; V321-P328 HydrophobicContact CG2-CG 4.04Å; F326-P328 WeakPolarHBondContact O-CD 3.31Å; P328-F357 HydrophobicContact CB-CD1 3.8Å; P328-F357 HydrophobicContact CB-CE1 3.68Å; P328-F357 HydrophobicContact CB-CE2 4.43Å; P328-F357 HydrophobicContact CB-CG 4.25Å; P328-F357 HydrophobicContact CB-CZ 4Å; P328-F361 HydrophobicContact CG-CD2 4Å; P328-F361 HydrophobicContact CG-CE2 4.18Å; P328-F361 HydrophobicContact CG-CG 4.48Å; P328-I363 HydrophobicContact CB-CD1 3.92Å; P328-I363 HydrophobicContact CG-CD1 3.69Å; P328-C365 PolarHBondContact O-SG 3.1Å; P328-C365 VanDerWaalsContact O-SG 3.41Å |
| 329 | V | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.123 | C | C | . | . | trans | -123.6 | 176.1 | -178.2 | -59.5 | 0 | 0 | 0 | 0 | 110.4 | T296 C297 S298 I327 G331 E367 W369 P493 | T296-V329 HydrophobicContact CG2-CG1 3.84Å; C297-V329 PolarHBondContact O-N 2.63Å; S298-V329 CarbonylContact C-O 3.59Å; S298-V329 WeakPolarHBondContact CA-O 3.48Å; I327-V329 HydrophobicContact CG2-CG1 3.88Å; I327-V329 PolarHBondContact O-N 2.98Å; V329-G331 VanDerWaalsContact C-N 3.25Å; V329-G331 PolarHBondContact O-N 2.56Å; V329-E367 HydrophobicContact CB-CG 4.37Å; V329-E367 WeakPolarHBondContact CG1-OE1 3.26Å; V329-W369 HydrophobicContact CB-CB 4.11Å; V329-W369 HydrophobicContact CB-CD2 4.2Å; V329-W369 HydrophobicContact CB-CE3 4.15Å; V329-W369 HydrophobicContact CB-CG 4.22Å; V329-W369 HydrophobicContact CG1-CE3 4.36Å; V329-W369 HydrophobicContact CG2-CB 3.76Å; V329-W369 HydrophobicContact CG2-CD2 3.72Å; V329-W369 HydrophobicContact CG2-CE3 4.17Å; V329-W369 HydrophobicContact CG2-CG 3.54Å; V329-P493 HydrophobicContact CG1-CG 3.78Å | ||
| 330 | G | 96.2 | Very high | 98 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 10% | 0.102 | C | C | . | . | S | Bend | trans | 86.1 | -51.1 | 173 | 0 | 0 | 0 | 0 | 0 | 114.3 | T332 E367 F368 | G330-T332 PolarHBondContact O-N 3.01Å; G330-E367 CarbonylContact C-O 3.57Å; G330-E367 VanDerWaalsContact CA-O 3.32Å; G330-E367 WeakPolarHBondContact CA-O 3.48Å; G330-E367 PolarHBondContact N-O 3.29Å; G330-E367 VanDerWaalsContact N-O 3.15Å; G330-F368 WeakPolarHBondContact O-CD2 3.44Å |
| 331 | G | 97.3 | Very high | 98 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | trans | 71.3 | 16 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V329 F350 Q354 | V329-G331 VanDerWaalsContact C-N 3.25Å; V329-G331 PolarHBondContact O-N 2.56Å; G331-F350 WeakPolarHBondContact O-CA 3.37Å; G331-Q354 PolarHBondContact O-N 2.79Å | ||
| 332 | T | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | S | Bend | trans | -113.7 | 161.5 | 178.3 | 54.2 | 0 | 0 | 0 | 0 | 112.5 | A300 G330 V334 Q349 F350 F368 | A300-T332 WeakPolarHBondContact CB-O 3.38Å; A300-T332 PolarHBondContact N-O 3.17Å; G330-T332 PolarHBondContact O-N 3.01Å; T332-V334 VanDerWaalsContact CB-O 3.31Å; T332-V334 WeakPolarHBondContact CB-O 3.44Å; T332-V334 PolarHBondContact OG1-O 2.99Å; T332-Q349 CarbonylContact C-O 3.57Å; T332-Q349 VanDerWaalsContact CA-O 3.26Å; T332-Q349 WeakPolarHBondContact CA-O 3.34Å; T332-Q349 HydrophobicContact CG2-CB 4.21Å; T332-F350 HydrophobicContact CG2-CD1 3.41Å; T332-F350 VanDerWaalsContact CG2-CD1 3.41Å; T332-F350 HydrophobicContact CG2-CE1 3.32Å; T332-F350 HydrophobicContact CG2-CE2 4.44Å; T332-F350 HydrophobicContact CG2-CG 4.04Å; T332-F350 HydrophobicContact CG2-CZ 3.88Å; T332-F368 HydrophobicContact CG2-CD2 3.97Å; T332-F368 HydrophobicContact CG2-CE2 3.51Å; T332-F368 HydrophobicContact CG2-CZ 4.31Å |
| 333 | W | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 11.6 Ų | 11.6 | 0% | 0 | 7% | 0.067 | C | C | . | . | S | Bend | trans | -63.6 | -48.9 | 176 | -172.1 | -111.8 | 0 | 0 | 0 | 111.6 | A300 Q301 E304 Q349 E352 F356 R569 L572 | A300-W333 HydrophobicContact CB-CE3 3.89Å; A300-W333 HydrophobicContact CB-CZ3 4.22Å; A300-W333 PolarHBondContact N-O 2.97Å; A300-W333 VanDerWaalsContact N-O 3.13Å; Q301-W333 HydrophobicContact CB-CD2 4.32Å; Q301-W333 HydrophobicContact CB-CZ2 4.16Å; Q301-W333 WeakPolarHBondContact CB-O 3.22Å; Q301-W333 HydrophobicContact CG-CZ2 4.45Å; Q301-W333 PolarHBondContact N-O 3.25Å; E304-W333 HydrophobicContact CB-CH2 3.98Å; E304-W333 HydrophobicContact CG-CH2 4.06Å; W333-Q349 PolarHBondContact N-O 2.93Å; W333-E352 HydrophobicContact CB-CB 4.16Å; W333-E352 HydrophobicContact CD2-CB 4.3Å; W333-E352 HydrophobicContact CE3-CB 3.99Å; W333-E352 HydrophobicContact CG-CB 4.4Å; W333-F356 HydrophobicContact CZ3-CB 4.28Å; W333-F356 HydrophobicContact CZ3-CD2 4.16Å; W333-F356 HydrophobicContact CZ3-CG 4.32Å; W333-R569 HydrophobicContact CD2-CG 4.29Å; W333-R569 HydrophobicContact CH2-CG 4.27Å; W333-R569 HydrophobicContact CZ2-CB 4.1Å; W333-R569 HydrophobicContact CZ2-CG 3.74Å; W333-L572 HydrophobicContact CB-CD1 4.1Å; W333-L572 HydrophobicContact CG-CB 4.39Å; W333-L572 HydrophobicContact CG-CD1 4.36Å |
| 334 | V | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 4% | 0.043 | C | C | . | . | S | Bend | trans | -131.7 | 170.9 | 170.4 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | Q301 T332 M336 L572 L573 F576 | Q301-V334 HydrophobicContact CB-CG1 3.87Å; Q301-V334 HydrophobicContact CG-CG1 4.37Å; T332-V334 VanDerWaalsContact CB-O 3.31Å; T332-V334 WeakPolarHBondContact CB-O 3.44Å; T332-V334 PolarHBondContact OG1-O 2.99Å; V334-M336 VanDerWaalsContact C-N 3.3Å; V334-M336 HydrophobicContact CG2-CB 4.45Å; V334-M336 PolarHBondContact O-N 3.42Å; V334-L572 WeakPolarHBondContact CG2-O 3.15Å; V334-L573 HydrophobicContact CG1-CD1 4.17Å; V334-F576 HydrophobicContact CB-CD2 4.17Å; V334-F576 HydrophobicContact CG2-CB 4.43Å |
| 335 | E | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.022 | C | C | . | . | trans | -75.8 | 87.9 | 165.2 | -76.4 | 178.2 | -125.6 | 0 | 0 | 108.1 | H260 S298 Q299 L370 P371 F576 H577 | H260-E335 IonicContact CE1-OE1 3.83Å; H260-E335 IonicContact CE1-OE2 3.94Å; H260-E335 PolarHBondContact CE1-OE2 3.16Å; H260-E335 IonicContact ND1-OE1 2.74Å; H260-E335 PolarHBondContact ND1-OE1 2.89Å; H260-E335 IonicContact ND1-OE2 3.26Å; H260-E335 PolarHBondContact ND1-OE2 3.46Å; S298-E335 WeakPolarHBondContact CB-OE1 3.21Å; S298-E335 PolarHBondContact OG-OE1 2.84Å; Q299-E335 HydrophobicContact CG-CB 4.18Å; Q299-E335 HydrophobicContact CG-CG 3.69Å; Q299-E335 PolarHBondContact NE2-OE1 2.99Å; E335-L370 HydrophobicContact CB-CD1 3.74Å; E335-L370 HydrophobicContact CG-CD1 4.06Å; E335-P371 WeakPolarHBondContact OE2-CD 3.32Å; E335-F576 HydrophobicContact CB-CD2 4.48Å; E335-F576 HydrophobicContact CB-CE2 4.03Å; E335-F576 WeakPolarHBondContact O-CD2 3.48Å; E335-H577 PolarHBondContact O-N 3.15Å; E335-H577 VanDerWaalsContact O-N 3.13Å; E335-H577 PolarHBondContact O-ND1 3.06Å | ||
| 336 | M | 98.3 | Very high | 98.3 | Very high | 0 Ų | 0 | 3 Ų | 3 | 0% | 0 | 2% | 0.017 | C | C | . | . | B | Isolated β-bridge | trans | -73.2 | 156.6 | -172.1 | 69.8 | -170.8 | -170.5 | 0 | 0 | 113.5 | V334 M346 Q349 F350 F368 T373 L380 Q575 | V334-M336 VanDerWaalsContact C-N 3.3Å; V334-M336 HydrophobicContact CG2-CB 4.45Å; V334-M336 PolarHBondContact O-N 3.42Å; M336-M346 HydrophobicContact CE-CB 4.05Å; M336-M346 HydrophobicContact CE-CG 3.8Å; M336-M346 HydrophobicContact CE-SD 4.32Å; M336-M346 HydrophobicContact SD-CB 4.49Å; M336-M346 HydrophobicContact SD-CG 4.23Å; M336-Q349 HydrophobicContact CB-CG 4.22Å; M336-Q349 HydrophobicContact CG-CG 4.47Å; M336-Q349 HydrophobicContact SD-CB 3.55Å; M336-Q349 VanDerWaalsContact SD-CB 3.55Å; M336-Q349 HydrophobicContact SD-CG 3.43Å; M336-Q349 WeakPolarHBondContact SD-CG 3.43Å; M336-F350 HydrophobicContact CE-CE2 4.25Å; M336-F368 HydrophobicContact CE-CE1 4.3Å; M336-F368 HydrophobicContact CE-CZ 3.88Å; M336-T373 PolarHBondContact O-OG1 3.14Å; M336-L380 HydrophobicContact CE-CD2 3.71Å; M336-Q575 WeakPolarHBondContact CA-O 3.27Å |
| 337 | D | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 2.9 Ų | 2.9 | 1% | 0.011 | 2% | 0.017 | C | C | . | . | trans | -62.4 | 142.8 | 163.2 | -176.9 | -100.4 | 0 | 0 | 0 | 111.5 | N339 L340 P341 Q575 I580 P581 | D337-N339 WeakPolarHBondContact OD1-CA 3.27Å; D337-N339 PolarHBondContact OD1-N 3.29Å; D337-L340 WeakPolarHBondContact OD1-CG 3.46Å; D337-L340 PolarHBondContact OD1-N 3.04Å; D337-P341 HydrophobicContact CB-CG 4.5Å; D337-P341 WeakPolarHBondContact O-CD 3.46Å; D337-P341 WeakPolarHBondContact O-CG 3.39Å; D337-Q575 PolarHBondContact N-O 3.17Å; D337-I580 HydrophobicContact CB-CG2 3.52Å; D337-P581 HydrophobicContact CB-CG 3.83Å; D337-P581 WeakPolarHBondContact OD2-CG 3.47Å | ||
| 338 | G | 97.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 1.7 Ų | 1.7 | 0% | 0 | 1% | 0.011 | C | C | . | . | S | Bend | trans | -91.9 | -1.6 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | M346 G375 S377 | G338-M346 WeakPolarHBondContact O-CE 3.44Å; G338-G375 WeakPolarHBondContact CA-O 3.28Å; G338-S377 VanDerWaalsContact O-CB 3.26Å; G338-S377 WeakPolarHBondContact O-CB 3.22Å; G338-S377 PolarHBondContact O-N 2.94Å |
| 339 | N | 98 | Very high | 98.4 | Very high | 2 Ų | 2 | 1.5 Ų | 1.5 | 1% | 0.011 | 1% | 0.009 | C | C | . | . | S | Bend | trans | -127.6 | -44.2 | -172.4 | -61 | -45.3 | 0 | 0 | 0 | 113.3 | D337 F374 Q820 W842 | D337-N339 WeakPolarHBondContact OD1-CA 3.27Å; D337-N339 PolarHBondContact OD1-N 3.29Å; N339-F374 PolarHBondContact ND2-O 3.37Å; N339-Q820 PolarHBondContact O-NE2 3.28Å; N339-W842 HydrophobicContact CB-CD2 3.67Å; N339-W842 HydrophobicContact CB-CE3 4.08Å; N339-W842 HydrophobicContact CB-CG 3.85Å; N339-W842 HydrophobicContact CB-CZ2 4.24Å; N339-W842 WeakPolarHBondContact O-CZ3 3.31Å; N339-W842 VanDerWaalsContact OD1-CE2 3.31Å; N339-W842 PolarHBondContact OD1-NE1 3.06Å |
| 340 | L | 98.3 | Very high | 98.4 | Very high | 0 Ų | 0 | 1.5 Ų | 1.5 | 0% | 0 | 1% | 0.009 | C | C | . | . | S | Bend | trans | -83.1 | -37.4 | -167 | -55.7 | -172.1 | 0 | 0 | 0 | 115.4 | D337 Y523 K530 I580 P581 Y864 | D337-L340 WeakPolarHBondContact OD1-CG 3.46Å; D337-L340 PolarHBondContact OD1-N 3.04Å; L340-Y523 HydrophobicContact CD2-CD1 4.41Å; L340-K530 HydrophobicContact CD1-CG 4.43Å; L340-I580 HydrophobicContact CB-CD1 3.85Å; L340-I580 HydrophobicContact CB-CG1 4.13Å; L340-I580 HydrophobicContact CD1-CG1 4.09Å; L340-P581 HydrophobicContact CD1-CG 4.46Å; L340-Y864 HydrophobicContact CB-CE1 4.49Å; L340-Y864 HydrophobicContact CD2-CD1 3.73Å; L340-Y864 HydrophobicContact CD2-CD2 4.34Å; L340-Y864 HydrophobicContact CD2-CE1 4.45Å; L340-Y864 HydrophobicContact CD2-CG 3.65Å; L340-Y864 VanDerWaalsContact O-CE1 3.27Å; L340-Y864 WeakPolarHBondContact O-CE1 3.43Å |
| 341 | P | 98.6 | Very high | 98.5 | Very high | 0 Ų | 0 | 1.5 Ų | 1.5 | 0% | 0 | 1% | 0.009 | C | C | . | . | S | Bend | trans | -61.6 | 146.2 | 177.7 | -24.9 | 36 | 0 | 0 | 0 | 112.4 | D337 M346 Q575 Q820 | D337-P341 HydrophobicContact CB-CG 4.5Å; D337-P341 WeakPolarHBondContact O-CD 3.46Å; D337-P341 WeakPolarHBondContact O-CG 3.39Å; P341-M346 HydrophobicContact CB-CG 4.39Å; P341-Q575 HydrophobicContact CB-CG 4.4Å; P341-Q575 HydrophobicContact CG-CB 4.1Å; P341-Q575 HydrophobicContact CG-CG 4.13Å; P341-Q820 WeakPolarHBondContact O-CG 3.49Å; P341-Q820 PolarHBondContact O-NE2 3.38Å |
| 342 | S | 98.6 | Very high | 98.6 | Very high | 7 Ų | 7 | 1.8 Ų | 1.8 | 5% | 0.049 | 1% | 0.01 | C | C | . | . | trans | -62.1 | 163.4 | 172.4 | 66.5 | 0 | 0 | 0 | 0 | 112.2 | E344 S345 M346 E537 | S342-E344 VanDerWaalsContact C-N 3.28Å; S342-E344 PolarHBondContact O-N 2.84Å; S342-S345 WeakPolarHBondContact O-CB 3.35Å; S342-S345 PolarHBondContact O-N 2.88Å; S342-S345 WeakPolarHBondContact OG-CB 3.41Å; S342-S345 PolarHBondContact OG-N 3.08Å; S342-S345 PolarHBondContact OG-OG 3.37Å; S342-M346 PolarHBondContact O-N 3.03Å; S342-E537 VanDerWaalsContact CB-OE1 3.23Å; S342-E537 WeakPolarHBondContact CB-OE1 3.44Å; S342-E537 PolarHBondContact N-OE1 3.41Å; S342-E537 VanDerWaalsContact OG-CD 3.24Å; S342-E537 PolarHBondContact OG-OE1 2.66Å | ||
| 343 | G | 98.3 | Very high | 98.6 | Very high | 5 Ų | 5 | 1.8 Ų | 1.8 | 5% | 0.052 | 1% | 0.01 | C | C | . | . | H | α-helix | trans | -58.6 | -41.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | M346 V347 Q820 F821 | G343-M346 WeakPolarHBondContact O-CB 3.4Å; G343-M346 PolarHBondContact O-N 3.49Å; G343-V347 WeakPolarHBondContact O-CG2 3.31Å; G343-V347 PolarHBondContact O-N 2.83Å; G343-V347 VanDerWaalsContact O-N 3.08Å; G343-Q820 VanDerWaalsContact N-CG 3.32Å; G343-F821 VanDerWaalsContact O-CE2 3.27Å; G343-F821 WeakPolarHBondContact O-CE2 3.44Å |
| 344 | E | 98.7 | Very high | 98.5 | Very high | 11 Ų | 11 | 1.8 Ų | 1.8 | 5% | 0.051 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -65.3 | -41.9 | 176.5 | -175.1 | 57.1 | -158.9 | 0 | 0 | 111.8 | S342 M346 V347 R348 W568 T948 R962 | S342-E344 VanDerWaalsContact C-N 3.28Å; S342-E344 PolarHBondContact O-N 2.84Å; E344-M346 VanDerWaalsContact C-N 3.32Å; E344-M346 PolarHBondContact O-N 2.82Å; E344-V347 PolarHBondContact O-N 3.18Å; E344-V347 VanDerWaalsContact O-N 3.08Å; E344-R348 HydrophobicContact CG-CG 4.46Å; E344-R348 WeakPolarHBondContact O-CG 3.21Å; E344-R348 PolarHBondContact O-N 3Å; E344-R348 IonicContact OE1-CZ 3.62Å; E344-R348 IonicContact OE1-NE 2.73Å; E344-R348 PolarHBondContact OE1-NE 3.07Å; E344-R348 IonicContact OE1-NH2 3.74Å; E344-R348 PolarHBondContact OE1-NH2 2.84Å; E344-W568 HydrophobicContact CG-CH2 4.38Å; E344-T948 HydrophobicContact CG-CG2 4.49Å; E344-T948 WeakPolarHBondContact CG-OG1 3.43Å; E344-T948 PolarHBondContact OE2-OG1 2.85Å; E344-T948 VanDerWaalsContact OE2-OG1 3.07Å; E344-R962 VanDerWaalsContact CD-NH1 3.27Å; E344-R962 IonicContact OE1-NH1 3.36Å; E344-R962 PolarHBondContact OE1-NH1 3.41Å; E344-R962 IonicContact OE2-CZ 3.08Å; E344-R962 IonicContact OE2-NH1 3.78Å; E344-R962 PolarHBondContact OE2-NH1 2.97Å |
| 345 | S | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 4 Ų | 4 | 0% | 0 | 2% | 0.019 | C | C | . | . | H | α-helix | trans | -57.2 | -43.1 | 172.7 | -73.4 | 0 | 0 | 0 | 0 | 112.3 | S342 V347 R348 Q349 E537 Q575 | S342-S345 WeakPolarHBondContact O-CB 3.35Å; S342-S345 PolarHBondContact O-N 2.88Å; S342-S345 WeakPolarHBondContact OG-CB 3.41Å; S342-S345 PolarHBondContact OG-N 3.08Å; S342-S345 PolarHBondContact OG-OG 3.37Å; S345-V347 VanDerWaalsContact C-N 3.3Å; S345-V347 PolarHBondContact O-N 3.42Å; S345-R348 PolarHBondContact O-N 3.21Å; S345-R348 VanDerWaalsContact O-N 3.1Å; S345-Q349 VanDerWaalsContact O-CG 3.25Å; S345-Q349 WeakPolarHBondContact O-CG 3.07Å; S345-Q349 PolarHBondContact O-N 2.68Å; S345-E537 VanDerWaalsContact CB-OE1 3.31Å; S345-E537 WeakPolarHBondContact CB-OE1 3.39Å; S345-E537 PolarHBondContact OG-OE1 2.84Å; S345-Q575 PolarHBondContact OG-NE2 2.88Å |
| 346 | M | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -60.5 | -39.6 | 174.9 | -69.2 | -173.3 | 176.3 | 0 | 0 | 111.9 | M336 G338 P341 S342 G343 E344 Q349 F350 L380 I383 Q820 | M336-M346 HydrophobicContact CE-CB 4.05Å; M336-M346 HydrophobicContact CE-CG 3.8Å; M336-M346 HydrophobicContact CE-SD 4.32Å; M336-M346 HydrophobicContact SD-CB 4.49Å; M336-M346 HydrophobicContact SD-CG 4.23Å; G338-M346 WeakPolarHBondContact O-CE 3.44Å; P341-M346 HydrophobicContact CB-CG 4.39Å; S342-M346 PolarHBondContact O-N 3.03Å; G343-M346 WeakPolarHBondContact O-CB 3.4Å; G343-M346 PolarHBondContact O-N 3.49Å; E344-M346 VanDerWaalsContact C-N 3.32Å; E344-M346 PolarHBondContact O-N 2.82Å; M346-Q349 WeakPolarHBondContact O-CB 3.28Å; M346-Q349 PolarHBondContact O-N 2.63Å; M346-F350 WeakPolarHBondContact O-CD2 3.3Å; M346-F350 PolarHBondContact O-N 2.94Å; M346-L380 HydrophobicContact SD-CD2 3.72Å; M346-L380 HydrophobicContact SD-CG 4.18Å; M346-I383 HydrophobicContact CB-CD1 4.07Å; M346-I383 HydrophobicContact SD-CD1 4.11Å; M346-Q820 VanDerWaalsContact CE-CD 3.48Å; M346-Q820 HydrophobicContact CE-CG 3.87Å; M346-Q820 HydrophobicContact SD-CB 4.35Å; M346-Q820 HydrophobicContact SD-CG 3.76Å |
| 347 | V | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 4.2 Ų | 4.2 | 0% | 0 | 2% | 0.02 | C | C | . | . | H | α-helix | trans | -66.7 | -40.1 | 173.6 | -176.6 | 0 | 0 | 0 | 0 | 111.4 | G343 E344 S345 Q349 F350 L351 I383 F821 L989 | G343-V347 WeakPolarHBondContact O-CG2 3.31Å; G343-V347 PolarHBondContact O-N 2.83Å; G343-V347 VanDerWaalsContact O-N 3.08Å; E344-V347 PolarHBondContact O-N 3.18Å; E344-V347 VanDerWaalsContact O-N 3.08Å; S345-V347 VanDerWaalsContact C-N 3.3Å; S345-V347 PolarHBondContact O-N 3.42Å; V347-Q349 VanDerWaalsContact C-N 3.31Å; V347-Q349 PolarHBondContact O-N 3.2Å; V347-F350 PolarHBondContact O-N 3.1Å; V347-L351 WeakPolarHBondContact O-CB 3.27Å; V347-L351 PolarHBondContact O-N 3.43Å; V347-I383 HydrophobicContact CG2-CG2 4.18Å; V347-F821 HydrophobicContact CG2-CE2 4.06Å; V347-F821 HydrophobicContact CG2-CZ 4.25Å; V347-L989 HydrophobicContact CG1-CB 3.82Å; V347-L989 HydrophobicContact CG1-CD2 4.43Å; V347-L989 HydrophobicContact CG2-CD1 4.12Å; V347-L989 HydrophobicContact CG2-CD2 4.34Å |
| 348 | R | 98.8 | Very high | 98.5 | Very high | 4 Ų | 4 | 6.9 Ų | 6.9 | 2% | 0.015 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -64.4 | -34.7 | 177.8 | -66.2 | -60.2 | 171.9 | 108.3 | 20.4 | 113 | E344 S345 F350 L351 E352 E544 W568 L572 K950 | E344-R348 HydrophobicContact CG-CG 4.46Å; E344-R348 WeakPolarHBondContact O-CG 3.21Å; E344-R348 PolarHBondContact O-N 3Å; E344-R348 IonicContact OE1-CZ 3.62Å; E344-R348 IonicContact OE1-NE 2.73Å; E344-R348 PolarHBondContact OE1-NE 3.07Å; E344-R348 IonicContact OE1-NH2 3.74Å; E344-R348 PolarHBondContact OE1-NH2 2.84Å; S345-R348 PolarHBondContact O-N 3.21Å; S345-R348 VanDerWaalsContact O-N 3.1Å; R348-F350 VanDerWaalsContact C-N 3.35Å; R348-F350 PolarHBondContact O-N 3.18Å; R348-L351 PolarHBondContact O-N 3.42Å; R348-E352 WeakPolarHBondContact O-CB 3.41Å; R348-E352 PolarHBondContact O-N 3.32Å; R348-E544 IonicContact CZ-OE1 3.93Å; R348-E544 IonicContact CZ-OE2 2.79Å; R348-E544 IonicContact NH1-OE1 3.09Å; R348-E544 PolarHBondContact NH1-OE1 3.45Å; R348-E544 IonicContact NH1-OE2 2.66Å; R348-E544 PolarHBondContact NH1-OE2 3.34Å; R348-E544 IonicContact NH2-OE1 3.32Å; R348-E544 IonicContact NH2-OE2 3.58Å; R348-E544 PolarHBondContact NH2-OE2 3.13Å; R348-W568 HydrophobicContact CB-CE3 4.21Å; R348-W568 HydrophobicContact CB-CZ3 4.38Å; R348-W568 HydrophobicContact CG-CD2 4.21Å; R348-W568 HydrophobicContact CG-CE3 3.96Å; R348-W568 HydrophobicContact CG-CH2 4.15Å; R348-W568 HydrophobicContact CG-CZ2 4.38Å; R348-W568 HydrophobicContact CG-CZ3 3.93Å; R348-L572 HydrophobicContact CB-CD1 4.01Å; R348-L572 HydrophobicContact CB-CD2 4.06Å; R348-K950 VanDerWaalsContact CZ-CD 3.46Å |
| 349 | Q | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -55.8 | -50.9 | 171.6 | -69.6 | -82.4 | 8.6 | 0 | 0 | 110.5 | T332 W333 M336 S345 M346 V347 G353 L572 | T332-Q349 CarbonylContact C-O 3.57Å; T332-Q349 VanDerWaalsContact CA-O 3.26Å; T332-Q349 WeakPolarHBondContact CA-O 3.34Å; T332-Q349 HydrophobicContact CG2-CB 4.21Å; W333-Q349 PolarHBondContact N-O 2.93Å; M336-Q349 HydrophobicContact CB-CG 4.22Å; M336-Q349 HydrophobicContact CG-CG 4.47Å; M336-Q349 HydrophobicContact SD-CB 3.55Å; M336-Q349 VanDerWaalsContact SD-CB 3.55Å; M336-Q349 HydrophobicContact SD-CG 3.43Å; M336-Q349 WeakPolarHBondContact SD-CG 3.43Å; S345-Q349 VanDerWaalsContact O-CG 3.25Å; S345-Q349 WeakPolarHBondContact O-CG 3.07Å; S345-Q349 PolarHBondContact O-N 2.68Å; M346-Q349 WeakPolarHBondContact O-CB 3.28Å; M346-Q349 PolarHBondContact O-N 2.63Å; V347-Q349 VanDerWaalsContact C-N 3.31Å; V347-Q349 PolarHBondContact O-N 3.2Å; Q349-G353 PolarHBondContact O-N 3.48Å; Q349-G353 VanDerWaalsContact O-N 3.08Å; Q349-L572 HydrophobicContact CG-CD1 4.45Å; Q349-L572 HydrophobicContact CG-CD2 3.83Å; Q349-L572 PolarHBondContact NE2-O 3.43Å |
| 350 | F | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -68 | -41.8 | 176.2 | -70.4 | -66.3 | 0 | 0 | 0 | 113.2 | G331 T332 M336 M346 V347 R348 E352 G353 Q354 F368 I383 M384 C387 I389 | G331-F350 WeakPolarHBondContact O-CA 3.37Å; T332-F350 HydrophobicContact CG2-CD1 3.41Å; T332-F350 VanDerWaalsContact CG2-CD1 3.41Å; T332-F350 HydrophobicContact CG2-CE1 3.32Å; T332-F350 HydrophobicContact CG2-CE2 4.44Å; T332-F350 HydrophobicContact CG2-CG 4.04Å; T332-F350 HydrophobicContact CG2-CZ 3.88Å; M336-F350 HydrophobicContact CE-CE2 4.25Å; M346-F350 WeakPolarHBondContact O-CD2 3.3Å; M346-F350 PolarHBondContact O-N 2.94Å; V347-F350 PolarHBondContact O-N 3.1Å; R348-F350 VanDerWaalsContact C-N 3.35Å; R348-F350 PolarHBondContact O-N 3.18Å; F350-E352 PolarHBondContact O-N 2.72Å; F350-G353 PolarHBondContact O-N 3.14Å; F350-Q354 WeakPolarHBondContact O-CB 3.48Å; F350-Q354 VanDerWaalsContact O-CG 3.22Å; F350-Q354 WeakPolarHBondContact O-CG 3.44Å; F350-Q354 PolarHBondContact O-N 2.87Å; F350-F368 HydrophobicContact CE1-CB 4.3Å; F350-F368 AromaticContact CE1-CD2 3.75Å; F350-F368 HydrophobicContact CE1-CD2 3.75Å; F350-F368 HydrophobicContact CE1-CE2 4.15Å; F350-F368 AromaticContact CE1-CG 3.96Å; F350-F368 HydrophobicContact CE1-CG 3.96Å; F350-F368 HydrophobicContact CZ-CB 4.46Å; F350-F368 AromaticContact CZ-CD1 3.96Å; F350-F368 HydrophobicContact CZ-CD1 3.96Å; F350-F368 AromaticContact CZ-CD2 3.93Å; F350-F368 HydrophobicContact CZ-CD2 3.93Å; F350-F368 HydrophobicContact CZ-CE1 4.08Å; F350-F368 HydrophobicContact CZ-CE2 4.09Å; F350-F368 AromaticContact CZ-CG 3.89Å; F350-F368 HydrophobicContact CZ-CG 3.89Å; F350-F368 HydrophobicContact CZ-CZ 4.14Å; F350-I383 HydrophobicContact CD2-CG2 3.68Å; F350-I383 HydrophobicContact CE2-CG2 3.69Å; F350-M384 HydrophobicContact CZ-CG 3.96Å; F350-C387 HydrophobicContact CB-CB 3.84Å; F350-C387 WeakPolarHBondContact CB-SG 3.24Å; F350-C387 HydrophobicContact CD1-CB 4.37Å; F350-C387 HydrophobicContact CD2-CB 4.45Å; F350-C387 HydrophobicContact CG-CB 3.98Å; F350-I389 HydrophobicContact CD1-CD1 3.43Å; F350-I389 VanDerWaalsContact CD1-CD1 3.43Å; F350-I389 HydrophobicContact CE1-CD1 3.28Å; F350-I389 HydrophobicContact CZ-CD1 4.32Å |
| 351 | L | 98.6 | Very high | 98.4 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -59.5 | -50.1 | -179.1 | -178.3 | 66.3 | 0 | 0 | 0 | 111.2 | V347 R348 R355 E953 L990 | V347-L351 WeakPolarHBondContact O-CB 3.27Å; V347-L351 PolarHBondContact O-N 3.43Å; R348-L351 PolarHBondContact O-N 3.42Å; L351-R355 HydrophobicContact CD1-CG 4.4Å; L351-R355 WeakPolarHBondContact O-CB 3.34Å; L351-R355 WeakPolarHBondContact O-CG 3.45Å; L351-R355 PolarHBondContact O-N 3.3Å; L351-R355 VanDerWaalsContact O-N 3.08Å; L351-E953 HydrophobicContact CD1-CG 4.39Å; L351-E953 HydrophobicContact CD2-CG 4.01Å; L351-L990 HydrophobicContact CD1-CD2 4.23Å |
| 352 | E | 98.6 | Very high | 98.4 | Very high | 6 Ų | 6 | 17.6 Ų | 17.6 | 3% | 0.028 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -68.8 | -43.6 | 179.5 | -73.6 | -63.4 | 134.6 | 0 | 0 | 111.8 | W333 R348 F350 R355 F356 Q565 R569 L572 | W333-E352 HydrophobicContact CB-CB 4.16Å; W333-E352 HydrophobicContact CD2-CB 4.3Å; W333-E352 HydrophobicContact CE3-CB 3.99Å; W333-E352 HydrophobicContact CG-CB 4.4Å; R348-E352 WeakPolarHBondContact O-CB 3.41Å; R348-E352 PolarHBondContact O-N 3.32Å; F350-E352 PolarHBondContact O-N 2.72Å; E352-R355 IonicContact OE1-NH1 3.52Å; E352-F356 VanDerWaalsContact O-CB 3.3Å; E352-F356 WeakPolarHBondContact O-CB 3.22Å; E352-F356 PolarHBondContact O-N 3.23Å; E352-Q565 PolarHBondContact OE1-NE2 3.11Å; E352-Q565 PolarHBondContact OE2-NE2 3.48Å; E352-R569 IonicContact OE2-CZ 2.7Å; E352-R569 IonicContact OE2-NE 3.17Å; E352-R569 PolarHBondContact OE2-NE 3.48Å; E352-R569 IonicContact OE2-NH2 3.74Å; E352-R569 PolarHBondContact OE2-NH2 3.48Å; E352-L572 HydrophobicContact CB-CD1 4.28Å; E352-L572 HydrophobicContact CG-CD1 4.07Å |
| 353 | G | 98.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.1 | -53.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q349 F350 R355 F356 F357 | Q349-G353 PolarHBondContact O-N 3.48Å; Q349-G353 VanDerWaalsContact O-N 3.08Å; F350-G353 PolarHBondContact O-N 3.14Å; G353-R355 VanDerWaalsContact C-N 3.34Å; G353-R355 PolarHBondContact O-N 2.81Å; G353-F356 PolarHBondContact O-N 3.26Å; G353-F357 WeakPolarHBondContact O-CD2 3.3Å; G353-F357 PolarHBondContact O-N 3.37Å |
| 354 | Q | 98.5 | Very high | 98.2 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -61.7 | -40.5 | 178.7 | -71.4 | -73.1 | 29.4 | 0 | 0 | 111.9 | G331 F350 N358 Y364 C365 C387 L990 | G331-Q354 PolarHBondContact O-N 2.79Å; F350-Q354 WeakPolarHBondContact O-CB 3.48Å; F350-Q354 VanDerWaalsContact O-CG 3.22Å; F350-Q354 WeakPolarHBondContact O-CG 3.44Å; F350-Q354 PolarHBondContact O-N 2.87Å; Q354-N358 VanDerWaalsContact O-CB 3.29Å; Q354-N358 WeakPolarHBondContact O-CB 3.49Å; Q354-N358 PolarHBondContact O-N 3.15Å; Q354-Y364 HydrophobicContact CB-CD1 3.85Å; Q354-Y364 HydrophobicContact CB-CE1 4.04Å; Q354-Y364 HydrophobicContact CG-CD1 4.36Å; Q354-C365 PolarHBondContact NE2-O 2.92Å; Q354-C387 PolarHBondContact NE2-O 3.43Å; Q354-L990 HydrophobicContact CB-CD1 3.93Å; Q354-L990 HydrophobicContact CB-CD2 3.95Å; Q354-L990 HydrophobicContact CG-CD1 3.97Å; Q354-L990 HydrophobicContact CG-CD2 4.05Å |
| 355 | R | 97.7 | Very high | 98.2 | Very high | 47 Ų | 47 | 23 Ų | 23 | 18% | 0.177 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -66.6 | -43 | 177.1 | -75.4 | 177.8 | 73.8 | -154.5 | 15.4 | 111.7 | L351 E352 G353 N358 Q359 E953 | L351-R355 HydrophobicContact CD1-CG 4.4Å; L351-R355 WeakPolarHBondContact O-CB 3.34Å; L351-R355 WeakPolarHBondContact O-CG 3.45Å; L351-R355 PolarHBondContact O-N 3.3Å; L351-R355 VanDerWaalsContact O-N 3.08Å; E352-R355 IonicContact OE1-NH1 3.52Å; G353-R355 VanDerWaalsContact C-N 3.34Å; G353-R355 PolarHBondContact O-N 2.81Å; R355-N358 PolarHBondContact O-N 2.87Å; R355-Q359 WeakPolarHBondContact O-CB 3.48Å; R355-Q359 WeakPolarHBondContact O-CG 3.28Å; R355-Q359 PolarHBondContact O-N 3.31Å; R355-E953 VanDerWaalsContact CZ-CB 3.5Å; R355-E953 IonicContact CZ-OE2 2.67Å; R355-E953 IonicContact NH1-OE2 4Å; R355-E953 PolarHBondContact NH1-OE2 3.45Å; R355-E953 PolarHBondContact NH2-O 3.38Å; R355-E953 VanDerWaalsContact NH2-O 3.12Å; R355-E953 IonicContact NH2-OE2 3.99Å; R355-E953 PolarHBondContact NH2-OE2 2.89Å; R355-E953 VanDerWaalsContact NH2-OE2 3.08Å |
| 356 | F | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.9 | -51.1 | 176 | 179.1 | -87.8 | 0 | 0 | 0 | 111 | A300 F303 E304 W333 E352 G353 N358 Q359 E360 F361 | A300-F356 HydrophobicContact CB-CB 4.15Å; A300-F356 HydrophobicContact CB-CD1 3.77Å; A300-F356 HydrophobicContact CB-CE1 4.5Å; A300-F356 HydrophobicContact CB-CG 4.08Å; F303-F356 HydrophobicContact CB-CE1 3.39Å; F303-F356 HydrophobicContact CB-CZ 3.62Å; F303-F356 HydrophobicContact CG-CE1 4.22Å; E304-F356 HydrophobicContact CB-CE2 3.78Å; E304-F356 HydrophobicContact CB-CZ 4.15Å; E304-F356 HydrophobicContact CG-CE2 4.19Å; W333-F356 HydrophobicContact CZ3-CB 4.28Å; W333-F356 HydrophobicContact CZ3-CD2 4.16Å; W333-F356 HydrophobicContact CZ3-CG 4.32Å; E352-F356 VanDerWaalsContact O-CB 3.3Å; E352-F356 WeakPolarHBondContact O-CB 3.22Å; E352-F356 PolarHBondContact O-N 3.23Å; G353-F356 PolarHBondContact O-N 3.26Å; F356-N358 VanDerWaalsContact C-N 3.32Å; F356-N358 PolarHBondContact O-N 3Å; F356-Q359 PolarHBondContact O-N 2.98Å; F356-E360 HydrophobicContact CD1-CG 4.27Å; F356-E360 HydrophobicContact CD2-CG 4.17Å; F356-E360 HydrophobicContact CE1-CB 4.44Å; F356-E360 HydrophobicContact CE1-CG 3.91Å; F356-E360 HydrophobicContact CE2-CG 3.82Å; F356-E360 HydrophobicContact CG-CG 4.39Å; F356-E360 HydrophobicContact CZ-CG 3.69Å; F356-E360 WeakPolarHBondContact O-CG 3.26Å; F356-E360 PolarHBondContact O-N 3.02Å; F356-F361 HydrophobicContact CE1-CE2 4.26Å |
| 357 | F | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.6 | -37 | 179.6 | -67.8 | -40.2 | 0 | 0 | 0 | 113.2 | S298 A300 F303 P328 G353 F361 G362 I363 | S298-F357 WeakPolarHBondContact O-CZ 3.41Å; A300-F357 HydrophobicContact CB-CE1 4.15Å; A300-F357 HydrophobicContact CB-CE2 4.31Å; A300-F357 HydrophobicContact CB-CZ 3.92Å; F303-F357 AromaticContact CD2-CE1 3.65Å; F303-F357 HydrophobicContact CD2-CE1 3.65Å; F303-F357 HydrophobicContact CD2-CZ 4.16Å; F303-F357 AromaticContact CE2-CE1 3.63Å; F303-F357 HydrophobicContact CE2-CE1 3.63Å; F303-F357 AromaticContact CE2-CZ 3.95Å; F303-F357 HydrophobicContact CE2-CZ 3.95Å; F303-F357 HydrophobicContact CG-CE1 4.3Å; F303-F357 HydrophobicContact CZ-CE1 4.24Å; P328-F357 HydrophobicContact CB-CD1 3.8Å; P328-F357 HydrophobicContact CB-CE1 3.68Å; P328-F357 HydrophobicContact CB-CE2 4.43Å; P328-F357 HydrophobicContact CB-CG 4.25Å; P328-F357 HydrophobicContact CB-CZ 4Å; G353-F357 WeakPolarHBondContact O-CD2 3.3Å; G353-F357 PolarHBondContact O-N 3.37Å; F357-F361 HydrophobicContact CB-CD2 4.47Å; F357-F361 AromaticContact CD1-CD2 3.81Å; F357-F361 HydrophobicContact CD1-CD2 3.81Å; F357-F361 AromaticContact CD1-CE2 3.8Å; F357-F361 HydrophobicContact CD1-CE2 3.8Å; F357-F361 HydrophobicContact CE1-CE2 4.27Å; F357-F361 CarbonylContact O-C 3.57Å; F357-F361 WeakPolarHBondContact O-CA 3.49Å; F357-F361 WeakPolarHBondContact O-CB 3.34Å; F357-F361 PolarHBondContact O-N 3.08Å; F357-G362 PolarHBondContact O-N 3.28Å; F357-I363 CarbonylContact C-O 3.57Å; F357-I363 HydrophobicContact CB-CG1 4.18Å |
| 358 | N | 97.8 | Very high | 98 | Very high | 57 Ų | 57 | 28.6 Ų | 28.6 | 31% | 0.305 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -67.8 | -39.8 | 175.1 | -177.9 | 73.6 | 0 | 0 | 0 | 112.2 | Q354 R355 F356 G362 I363 Y364 | Q354-N358 VanDerWaalsContact O-CB 3.29Å; Q354-N358 WeakPolarHBondContact O-CB 3.49Å; Q354-N358 PolarHBondContact O-N 3.15Å; R355-N358 PolarHBondContact O-N 2.87Å; F356-N358 VanDerWaalsContact C-N 3.32Å; F356-N358 PolarHBondContact O-N 3Å; N358-G362 WeakPolarHBondContact O-CA 3.42Å; N358-G362 PolarHBondContact O-N 3.24Å; N358-I363 VanDerWaalsContact CA-O 3.27Å; N358-I363 WeakPolarHBondContact CA-O 3.32Å; N358-I363 PolarHBondContact N-O 3.36Å; N358-I363 VanDerWaalsContact N-O 3.1Å; N358-Y364 HydrophobicContact CB-CD1 4.31Å; N358-Y364 HydrophobicContact CB-CE1 3.79Å; N358-Y364 HydrophobicContact CB-CE2 4.01Å; N358-Y364 VanDerWaalsContact CG-CZ 3.48Å; N358-Y364 WeakPolarHBondContact OD1-CE2 3.44Å |
| 359 | Q | 97.1 | Very high | 98 | Very high | 113 Ų | 113 | 28.4 Ų | 28.4 | 53% | 0.528 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -68.1 | -42.6 | 178.9 | -74.8 | 169.9 | -3.7 | 0 | 0 | 112.5 | R355 F356 | R355-Q359 WeakPolarHBondContact O-CB 3.48Å; R355-Q359 WeakPolarHBondContact O-CG 3.28Å; R355-Q359 PolarHBondContact O-N 3.31Å; F356-Q359 PolarHBondContact O-N 2.98Å |
| 360 | E | 98.1 | Very high | 97.9 | Very high | 38 Ų | 38 | 28.4 Ų | 28.4 | 18% | 0.178 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -88.6 | -27.8 | -173.8 | -60 | -56.5 | 142.8 | 0 | 0 | 113.8 | K307 F314 Q318 F356 | K307-E360 IonicContact NZ-OE1 3.43Å; K307-E360 PolarHBondContact NZ-OE1 2.83Å; K307-E360 IonicContact NZ-OE2 2.78Å; K307-E360 PolarHBondContact NZ-OE2 3.05Å; F314-E360 HydrophobicContact CZ-CB 4.16Å; F314-E360 HydrophobicContact CZ-CG 4.23Å; Q318-E360 PolarHBondContact NE2-O 3.41Å; Q318-E360 VanDerWaalsContact NE2-O 3.17Å; F356-E360 HydrophobicContact CD1-CG 4.27Å; F356-E360 HydrophobicContact CD2-CG 4.17Å; F356-E360 HydrophobicContact CE1-CB 4.44Å; F356-E360 HydrophobicContact CE1-CG 3.91Å; F356-E360 HydrophobicContact CE2-CG 3.82Å; F356-E360 HydrophobicContact CG-CG 4.39Å; F356-E360 HydrophobicContact CZ-CG 3.69Å; F356-E360 WeakPolarHBondContact O-CG 3.26Å; F356-E360 PolarHBondContact O-N 3.02Å |
| 361 | F | 98 | Very high | 97.8 | Very high | 20 Ų | 20 | 28.4 Ų | 28.4 | 9% | 0.088 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -132.5 | -6.8 | -170.9 | -51.5 | -63.6 | 0 | 0 | 0 | 114.3 | F303 F314 I317 Q318 V321 P328 F356 F357 I363 | F303-F361 AromaticContact CD1-CE2 3.99Å; F303-F361 HydrophobicContact CD1-CE2 3.99Å; F303-F361 AromaticContact CD1-CZ 3.7Å; F303-F361 HydrophobicContact CD1-CZ 3.7Å; F303-F361 HydrophobicContact CE1-CE2 4.18Å; F303-F361 AromaticContact CE1-CZ 3.97Å; F303-F361 HydrophobicContact CE1-CZ 3.97Å; F303-F361 HydrophobicContact CG-CE2 4.45Å; F303-F361 HydrophobicContact CG-CZ 4.5Å; F314-F361 HydrophobicContact CE2-CE1 4.41Å; F314-F361 AromaticContact CE2-CZ 3.87Å; F314-F361 HydrophobicContact CE2-CZ 3.87Å; F314-F361 HydrophobicContact CZ-CE1 4.19Å; F314-F361 AromaticContact CZ-CZ 3.9Å; F314-F361 HydrophobicContact CZ-CZ 3.9Å; I317-F361 HydrophobicContact CG2-CE1 4.47Å; Q318-F361 HydrophobicContact CB-CE1 4.49Å; Q318-F361 HydrophobicContact CG-CD1 4.04Å; Q318-F361 HydrophobicContact CG-CE1 3.65Å; V321-F361 HydrophobicContact CB-CD1 4.09Å; V321-F361 HydrophobicContact CG1-CB 3.97Å; V321-F361 HydrophobicContact CG1-CD1 3.97Å; V321-F361 HydrophobicContact CG1-CG 4.08Å; V321-F361 HydrophobicContact CG2-CD1 3.95Å; V321-F361 HydrophobicContact CG2-CE1 3.97Å; P328-F361 HydrophobicContact CG-CD2 4Å; P328-F361 HydrophobicContact CG-CE2 4.18Å; P328-F361 HydrophobicContact CG-CG 4.48Å; F356-F361 HydrophobicContact CE1-CE2 4.26Å; F357-F361 HydrophobicContact CB-CD2 4.47Å; F357-F361 AromaticContact CD1-CD2 3.81Å; F357-F361 HydrophobicContact CD1-CD2 3.81Å; F357-F361 AromaticContact CD1-CE2 3.8Å; F357-F361 HydrophobicContact CD1-CE2 3.8Å; F357-F361 HydrophobicContact CE1-CE2 4.27Å; F357-F361 CarbonylContact O-C 3.57Å; F357-F361 WeakPolarHBondContact O-CA 3.49Å; F357-F361 WeakPolarHBondContact O-CB 3.34Å; F357-F361 PolarHBondContact O-N 3.08Å; F361-I363 VanDerWaalsContact C-N 3.3Å; F361-I363 HydrophobicContact CB-CD1 4.31Å; F361-I363 HydrophobicContact CB-CG1 3.97Å; F361-I363 PolarHBondContact O-N 3.18Å |
| 362 | G | 97.3 | Very high | 97.8 | Very high | 57 Ų | 57 | 28.8 Ų | 28.8 | 59% | 0.588 | 15% | 0.147 | S | C | * | . | S | Bend | trans | 69.9 | 23.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | F357 N358 | F357-G362 PolarHBondContact O-N 3.28Å; N358-G362 WeakPolarHBondContact O-CA 3.42Å; N358-G362 PolarHBondContact O-N 3.24Å |
| 363 | I | 96.1 | Very high | 97.7 | Very high | 56 Ų | 56 | 28.5 Ų | 28.5 | 29% | 0.287 | 15% | 0.145 | S | C | . | . | trans | -122.9 | 151.5 | -177.2 | 65.2 | 173.3 | 0 | 0 | 0 | 112.3 | P328 F357 N358 F361 | P328-I363 HydrophobicContact CB-CD1 3.92Å; P328-I363 HydrophobicContact CG-CD1 3.69Å; F357-I363 CarbonylContact C-O 3.57Å; F357-I363 HydrophobicContact CB-CG1 4.18Å; N358-I363 VanDerWaalsContact CA-O 3.27Å; N358-I363 WeakPolarHBondContact CA-O 3.32Å; N358-I363 PolarHBondContact N-O 3.36Å; N358-I363 VanDerWaalsContact N-O 3.1Å; F361-I363 VanDerWaalsContact C-N 3.3Å; F361-I363 HydrophobicContact CB-CD1 4.31Å; F361-I363 HydrophobicContact CB-CG1 3.97Å; F361-I363 PolarHBondContact O-N 3.18Å | ||
| 364 | Y | 97.3 | Very high | 97.7 | Very high | 76 Ų | 76 | 28.6 Ų | 28.6 | 30% | 0.298 | 15% | 0.146 | S | C | . | . | trans | -116.6 | 124.4 | 163.5 | -72.7 | -74.9 | 0 | 0 | 0 | 108.4 | Q354 N358 L990 | Q354-Y364 HydrophobicContact CB-CD1 3.85Å; Q354-Y364 HydrophobicContact CB-CE1 4.04Å; Q354-Y364 HydrophobicContact CG-CD1 4.36Å; N358-Y364 HydrophobicContact CB-CD1 4.31Å; N358-Y364 HydrophobicContact CB-CE1 3.79Å; N358-Y364 HydrophobicContact CB-CE2 4.01Å; N358-Y364 VanDerWaalsContact CG-CZ 3.48Å; N358-Y364 WeakPolarHBondContact OD1-CE2 3.44Å; Y364-L990 HydrophobicContact CD1-CD1 4.13Å; Y364-L990 HydrophobicContact CE1-CD1 4.03Å | ||
| 365 | C | 97.9 | Very high | 97.6 | Very high | 5 Ų | 5 | 28.6 Ų | 28.6 | 3% | 0.034 | 15% | 0.146 | C | C | . | . | trans | -63.2 | 144.1 | 176.6 | -59.5 | 0 | 0 | 0 | 0 | 110 | P328 Q354 | P328-C365 PolarHBondContact O-SG 3.1Å; P328-C365 VanDerWaalsContact O-SG 3.41Å; Q354-C365 PolarHBondContact NE2-O 2.92Å | ||
| 366 | K | 97.6 | Very high | 97.6 | Very high | 103 Ų | 103 | 26.4 Ų | 26.4 | 45% | 0.448 | 14% | 0.138 | S | C | . | . | S | Bend | trans | -106.6 | -8 | 178.3 | -63.8 | -57.9 | -177.4 | -176.1 | 0 | 113 | G388 S390 N391 | K366-G388 WeakPolarHBondContact CD-O 3.34Å; K366-G388 PolarHBondContact NZ-O 2.94Å; K366-S390 PolarHBondContact O-N 2.91Å; K366-N391 PolarHBondContact O-N 3.01Å; K366-N391 VanDerWaalsContact O-N 3.09Å |
| 367 | E | 97.9 | Very high | 97.6 | Very high | 14 Ų | 14 | 26.2 Ų | 26.2 | 7% | 0.065 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132 | -178 | 65.5 | -78.7 | -157.2 | 0 | 0 | 110 | V329 G330 W369 N391 P493 F497 | V329-E367 HydrophobicContact CB-CG 4.37Å; V329-E367 WeakPolarHBondContact CG1-OE1 3.26Å; G330-E367 CarbonylContact C-O 3.57Å; G330-E367 VanDerWaalsContact CA-O 3.32Å; G330-E367 WeakPolarHBondContact CA-O 3.48Å; G330-E367 PolarHBondContact N-O 3.29Å; G330-E367 VanDerWaalsContact N-O 3.15Å; E367-W369 HydrophobicContact CG-CE3 4.12Å; E367-N391 CarbonylContact C-O 3.57Å; E367-N391 VanDerWaalsContact CA-O 3.28Å; E367-N391 WeakPolarHBondContact CA-O 3.46Å; E367-N391 HydrophobicContact CB-CB 3.88Å; E367-P493 HydrophobicContact CG-CB 3.96Å; E367-P493 WeakPolarHBondContact OE1-CB 3.25Å; E367-P493 WeakPolarHBondContact OE1-CG 3.36Å; E367-F497 HydrophobicContact CB-CE2 4.2Å |
| 368 | F | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 131.6 | 163.8 | -177.7 | -147.1 | 0 | 0 | 0 | 108.5 | G330 T332 M336 F350 L370 L380 M384 I389 N391 F392 L393 | G330-F368 WeakPolarHBondContact O-CD2 3.44Å; T332-F368 HydrophobicContact CG2-CD2 3.97Å; T332-F368 HydrophobicContact CG2-CE2 3.51Å; T332-F368 HydrophobicContact CG2-CZ 4.31Å; M336-F368 HydrophobicContact CE-CE1 4.3Å; M336-F368 HydrophobicContact CE-CZ 3.88Å; F350-F368 HydrophobicContact CE1-CB 4.3Å; F350-F368 AromaticContact CE1-CD2 3.75Å; F350-F368 HydrophobicContact CE1-CD2 3.75Å; F350-F368 HydrophobicContact CE1-CE2 4.15Å; F350-F368 AromaticContact CE1-CG 3.96Å; F350-F368 HydrophobicContact CE1-CG 3.96Å; F350-F368 HydrophobicContact CZ-CB 4.46Å; F350-F368 AromaticContact CZ-CD1 3.96Å; F350-F368 HydrophobicContact CZ-CD1 3.96Å; F350-F368 AromaticContact CZ-CD2 3.93Å; F350-F368 HydrophobicContact CZ-CD2 3.93Å; F350-F368 HydrophobicContact CZ-CE1 4.08Å; F350-F368 HydrophobicContact CZ-CE2 4.09Å; F350-F368 AromaticContact CZ-CG 3.89Å; F350-F368 HydrophobicContact CZ-CG 3.89Å; F350-F368 HydrophobicContact CZ-CZ 4.14Å; F368-L370 HydrophobicContact CE1-CB 4.13Å; F368-L370 HydrophobicContact CE1-CD2 3.64Å; F368-L370 HydrophobicContact CE1-CG 4.38Å; F368-L370 HydrophobicContact CE2-CB 4.1Å; F368-L370 HydrophobicContact CE2-CD1 4Å; F368-L370 HydrophobicContact CE2-CD2 4.3Å; F368-L370 HydrophobicContact CE2-CG 4.35Å; F368-L370 HydrophobicContact CZ-CB 3.87Å; F368-L370 HydrophobicContact CZ-CD1 3.83Å; F368-L370 HydrophobicContact CZ-CD2 3.36Å; F368-L370 HydrophobicContact CZ-CG 3.88Å; F368-L380 HydrophobicContact CE1-CD2 4.36Å; F368-M384 HydrophobicContact CB-CG 4.17Å; F368-M384 HydrophobicContact CB-SD 3.55Å; F368-M384 VanDerWaalsContact CB-SD 3.55Å; F368-M384 HydrophobicContact CD1-CG 4.21Å; F368-M384 HydrophobicContact CD1-SD 3.68Å; F368-M384 HydrophobicContact CG-SD 4.09Å; F368-I389 HydrophobicContact CB-CD1 4.39Å; F368-I389 HydrophobicContact CB-CG2 3.92Å; F368-I389 VanDerWaalsContact N-CG2 3.34Å; F368-N391 PolarHBondContact N-O 3.24Å; F368-F392 HydrophobicContact CB-CD2 3.93Å; F368-F392 AromaticContact CD1-CD2 3.63Å; F368-F392 HydrophobicContact CD1-CD2 3.63Å; F368-F392 AromaticContact CD1-CE2 3.56Å; F368-F392 HydrophobicContact CD1-CE2 3.56Å; F368-F392 HydrophobicContact CE1-CE2 4.04Å; F368-F392 HydrophobicContact CG-CD2 4.04Å; F368-F392 HydrophobicContact CG-CE2 4.21Å; F368-F392 WeakPolarHBondContact O-CA 3.39Å; F368-F392 WeakPolarHBondContact O-CD2 3.07Å; F368-L393 PolarHBondContact O-N 3.22Å |
| 369 | W | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 100.9 | -168.1 | -163.2 | -81.8 | 0 | 0 | 0 | 107.8 | M256 H258 T296 V329 E367 L393 L458 P493 | M256-W369 HydrophobicContact CE-CH2 4.25Å; M256-W369 HydrophobicContact SD-CH2 4.22Å; H258-W369 AromaticContact CD2-NE1 3.64Å; H258-W369 AromaticContact NE2-CD1 3.93Å; H258-W369 AromaticContact NE2-NE1 3.16Å; H258-W369 PolarHBondContact NE2-NE1 3.4Å; H258-W369 VanDerWaalsContact NE2-NE1 3.16Å; T296-W369 HydrophobicContact CG2-CH2 4.4Å; V329-W369 HydrophobicContact CB-CB 4.11Å; V329-W369 HydrophobicContact CB-CD2 4.2Å; V329-W369 HydrophobicContact CB-CE3 4.15Å; V329-W369 HydrophobicContact CB-CG 4.22Å; V329-W369 HydrophobicContact CG1-CE3 4.36Å; V329-W369 HydrophobicContact CG2-CB 3.76Å; V329-W369 HydrophobicContact CG2-CD2 3.72Å; V329-W369 HydrophobicContact CG2-CE3 4.17Å; V329-W369 HydrophobicContact CG2-CG 3.54Å; E367-W369 HydrophobicContact CG-CE3 4.12Å; W369-L393 HydrophobicContact CD2-CB 4.34Å; W369-L393 HydrophobicContact CD2-CD2 4.08Å; W369-L393 HydrophobicContact CE3-CB 3.98Å; W369-L393 HydrophobicContact CE3-CD1 4.21Å; W369-L393 HydrophobicContact CE3-CD2 4.38Å; W369-L393 HydrophobicContact CE3-CG 4.41Å; W369-L393 HydrophobicContact CH2-CD1 3.72Å; W369-L393 HydrophobicContact CH2-CD2 4.4Å; W369-L393 HydrophobicContact CZ2-CD1 4.21Å; W369-L393 HydrophobicContact CZ2-CD2 4.09Å; W369-L393 HydrophobicContact CZ3-CB 4.29Å; W369-L393 HydrophobicContact CZ3-CD1 3.71Å; W369-L393 HydrophobicContact CZ3-CG 4.39Å; W369-L458 HydrophobicContact CH2-CD1 4.41Å; W369-L458 HydrophobicContact CH2-CD2 3.68Å; W369-L458 HydrophobicContact CZ2-CD1 3.53Å; W369-L458 HydrophobicContact CZ2-CD2 3.43Å; W369-L458 VanDerWaalsContact CZ2-CD2 3.43Å; W369-L458 HydrophobicContact CZ2-CG 4.12Å; W369-P493 HydrophobicContact CE3-CG 4.45Å; W369-P493 HydrophobicContact CH2-CG 4.18Å; W369-P493 HydrophobicContact CZ3-CB 3.99Å; W369-P493 HydrophobicContact CZ3-CG 3.65Å |
| 370 | L | 97.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | trans | -140.4 | 65.4 | -169.7 | -157.6 | 68.7 | 0 | 0 | 0 | 110.4 | E335 F368 D372 T373 Y376 F392 L393 T394 | E335-L370 HydrophobicContact CB-CD1 3.74Å; E335-L370 HydrophobicContact CG-CD1 4.06Å; F368-L370 HydrophobicContact CE1-CB 4.13Å; F368-L370 HydrophobicContact CE1-CD2 3.64Å; F368-L370 HydrophobicContact CE1-CG 4.38Å; F368-L370 HydrophobicContact CE2-CB 4.1Å; F368-L370 HydrophobicContact CE2-CD1 4Å; F368-L370 HydrophobicContact CE2-CD2 4.3Å; F368-L370 HydrophobicContact CE2-CG 4.35Å; F368-L370 HydrophobicContact CZ-CB 3.87Å; F368-L370 HydrophobicContact CZ-CD1 3.83Å; F368-L370 HydrophobicContact CZ-CD2 3.36Å; F368-L370 HydrophobicContact CZ-CG 3.88Å; L370-D372 VanDerWaalsContact C-N 3.34Å; L370-D372 PolarHBondContact O-N 3.01Å; L370-T373 WeakPolarHBondContact CD1-OG1 3.37Å; L370-T373 HydrophobicContact CD2-CG2 3.78Å; L370-T373 VanDerWaalsContact CD2-OG1 3.25Å; L370-T373 WeakPolarHBondContact CD2-OG1 3.35Å; L370-T373 HydrophobicContact CG-CG2 4.41Å; L370-T373 WeakPolarHBondContact CG-OG1 3.23Å; L370-Y376 HydrophobicContact CB-CE1 4.41Å; L370-Y376 HydrophobicContact CD2-CD1 4.07Å; L370-Y376 HydrophobicContact CD2-CE1 3.74Å; L370-Y376 HydrophobicContact CG-CE1 4.28Å; L370-Y376 PolarHBondContact O-OH 3.4Å; L370-F392 HydrophobicContact CB-CE2 3.9Å; L370-F392 HydrophobicContact CB-CZ 4.48Å; L370-L393 PolarHBondContact N-O 3Å; L370-T394 WeakPolarHBondContact O-CA 3.27Å; L370-T394 WeakPolarHBondContact O-CB 3.41Å; L370-T394 PolarHBondContact O-OG1 2.82Å | ||
| 371 | P | 96.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | S | Bend | trans | -61.9 | -36.5 | -172.5 | 24.3 | -34.3 | 0 | 0 | 0 | 113.8 | E335 Q395 K396 Y430 | E335-P371 WeakPolarHBondContact OE2-CD 3.32Å; P371-Q395 HydrophobicContact CB-CB 4.33Å; P371-Q395 PolarHBondContact O-N 3.37Å; P371-Q395 VanDerWaalsContact O-N 3.08Å; P371-K396 PolarHBondContact O-N 2.71Å; P371-Y430 HydrophobicContact CB-CD1 3.76Å; P371-Y430 HydrophobicContact CB-CE1 4.4Å; P371-Y430 HydrophobicContact CB-CG 4.04Å |
| 372 | D | 97.1 | Very high | 97.7 | Very high | 7 Ų | 7 | 16 Ų | 16 | 4% | 0.037 | 9% | 0.088 | C | C | . | . | S | Bend | trans | -109.9 | 3.9 | -164.4 | -148.3 | 53.6 | 0 | 0 | 0 | 116.6 | H260 L370 F374 K396 Y430 H577 | H260-D372 WeakPolarHBondContact NE2-CB 3.44Å; L370-D372 VanDerWaalsContact C-N 3.34Å; L370-D372 PolarHBondContact O-N 3.01Å; D372-F374 VanDerWaalsContact O-CD1 3.23Å; D372-F374 WeakPolarHBondContact O-CD1 3.4Å; D372-F374 WeakPolarHBondContact O-CE1 3.44Å; D372-K396 WeakPolarHBondContact OD1-CD 3.15Å; D372-K396 WeakPolarHBondContact OD1-CE 3.46Å; D372-K396 IonicContact OD1-NZ 3.66Å; D372-K396 PolarHBondContact OD1-NZ 2.85Å; D372-K396 IonicContact OD2-NZ 3.11Å; D372-K396 PolarHBondContact OD2-NZ 3.24Å; D372-Y430 HydrophobicContact CB-CE1 4.26Å; D372-Y430 VanDerWaalsContact OD1-CE1 3.31Å; D372-Y430 WeakPolarHBondContact OD1-CE1 3.41Å; D372-Y430 PolarHBondContact OD1-OH 3.47Å; D372-H577 IonicContact OD2-NE2 2.66Å |
| 373 | T | 97.5 | Very high | 97.8 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | -71.4 | 144.3 | -175.7 | -71.4 | 0 | 0 | 0 | 0 | 114.7 | M336 L370 G375 Y376 K396 | M336-T373 PolarHBondContact O-OG1 3.14Å; L370-T373 WeakPolarHBondContact CD1-OG1 3.37Å; L370-T373 HydrophobicContact CD2-CG2 3.78Å; L370-T373 VanDerWaalsContact CD2-OG1 3.25Å; L370-T373 WeakPolarHBondContact CD2-OG1 3.35Å; L370-T373 HydrophobicContact CG-CG2 4.41Å; L370-T373 WeakPolarHBondContact CG-OG1 3.23Å; T373-G375 VanDerWaalsContact C-N 3.32Å; T373-G375 WeakPolarHBondContact CG2-O 3.47Å; T373-G375 PolarHBondContact O-N 3.08Å; T373-Y376 HydrophobicContact CG2-CD1 4.36Å; T373-Y376 HydrophobicContact CG2-CE1 3.97Å; T373-Y376 PolarHBondContact O-OH 3.08Å; T373-K396 VanDerWaalsContact O-CB 3.28Å; T373-K396 WeakPolarHBondContact O-CB 3.27Å | ||
| 374 | F | 97.6 | Very high | 97.9 | Very high | 2 Ų | 2 | 10.6 Ų | 10.6 | 1% | 0.009 | 5% | 0.046 | C | C | . | . | S | Bend | trans | -85.6 | 57.5 | -171.4 | -49.4 | -27.6 | 0 | 0 | 0 | 114.4 | N339 D372 K396 L516 H519 T522 H577 D578 P581 W730 | N339-F374 PolarHBondContact ND2-O 3.37Å; D372-F374 VanDerWaalsContact O-CD1 3.23Å; D372-F374 WeakPolarHBondContact O-CD1 3.4Å; D372-F374 WeakPolarHBondContact O-CE1 3.44Å; F374-K396 HydrophobicContact CD1-CD 4.44Å; F374-K396 HydrophobicContact CD1-CG 4.29Å; F374-K396 HydrophobicContact CE1-CD 4.49Å; F374-L516 HydrophobicContact CB-CD2 4.07Å; F374-H519 HydrophobicContact CB-CB 4.25Å; F374-H519 AromaticContact CD1-ND1 3.24Å; F374-H519 WeakPolarHBondContact CD1-ND1 3.36Å; F374-H519 HydrophobicContact CD2-CB 4.38Å; F374-H519 AromaticContact CE1-CE1 3.9Å; F374-H519 AromaticContact CE1-ND1 3.5Å; F374-H519 WeakPolarHBondContact CE1-ND1 3.41Å; F374-H519 HydrophobicContact CG-CB 4.15Å; F374-H519 AromaticContact CG-ND1 3.62Å; F374-T522 HydrophobicContact CD2-CG2 3.98Å; F374-T522 HydrophobicContact CE2-CG2 4.36Å; F374-H577 WeakPolarHBondContact CE2-O 3.25Å; F374-D578 WeakPolarHBondContact CZ-OD1 3.4Å; F374-P581 HydrophobicContact CD2-CB 4.04Å; F374-P581 HydrophobicContact CD2-CG 4.33Å; F374-P581 HydrophobicContact CE2-CB 4.29Å; F374-W730 AromaticContact CE2-CD1 3.61Å; F374-W730 AromaticContact CE2-NE1 3.51Å; F374-W730 AromaticContact CZ-CD1 3.79Å; F374-W730 AromaticContact CZ-NE1 3.43Å |
| 375 | G | 97.1 | Very high | 98 | Very high | 1 Ų | 1 | 10.9 Ų | 10.9 | 1% | 0.01 | 5% | 0.05 | C | C | . | . | trans | 100.8 | 161.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | G338 T373 | G338-G375 WeakPolarHBondContact CA-O 3.28Å; T373-G375 VanDerWaalsContact C-N 3.32Å; T373-G375 WeakPolarHBondContact CG2-O 3.47Å; T373-G375 PolarHBondContact O-N 3.08Å | ||
| 376 | Y | 98.3 | Very high | 98 | Very high | 1 Ų | 1 | 11.6 Ų | 11.6 | 0% | 0.004 | 6% | 0.058 | C | C | . | . | B | Isolated β-bridge | trans | -138.3 | 126.2 | -168.6 | -42.3 | -99 | 0 | 0 | 0 | 113 | L370 T373 F392 T394 L397 L514 | L370-Y376 HydrophobicContact CB-CE1 4.41Å; L370-Y376 HydrophobicContact CD2-CD1 4.07Å; L370-Y376 HydrophobicContact CD2-CE1 3.74Å; L370-Y376 HydrophobicContact CG-CE1 4.28Å; L370-Y376 PolarHBondContact O-OH 3.4Å; T373-Y376 HydrophobicContact CG2-CD1 4.36Å; T373-Y376 HydrophobicContact CG2-CE1 3.97Å; T373-Y376 PolarHBondContact O-OH 3.08Å; Y376-F392 HydrophobicContact CD1-CE1 4.22Å; Y376-F392 AromaticContact CD1-CZ 3.58Å; Y376-F392 HydrophobicContact CD1-CZ 3.58Å; Y376-F392 HydrophobicContact CE1-CE1 4.45Å; Y376-F392 HydrophobicContact CE1-CE2 4.49Å; Y376-F392 AromaticContact CE1-CZ 3.6Å; Y376-F392 HydrophobicContact CE1-CZ 3.6Å; Y376-F392 HydrophobicContact CG-CZ 4.33Å; Y376-T394 HydrophobicContact CE1-CG2 4.42Å; Y376-T394 HydrophobicContact CE2-CG2 4.32Å; Y376-T394 PolarHBondContact OH-OG1 2.96Å; Y376-L397 HydrophobicContact CD2-CD1 4.44Å; Y376-L397 HydrophobicContact CD2-CD2 4.41Å; Y376-L397 HydrophobicContact CD2-CG 4.35Å; Y376-L397 HydrophobicContact CE2-CD1 4.45Å; Y376-L397 HydrophobicContact CE2-CD2 4.23Å; Y376-L397 HydrophobicContact CE2-CG 3.97Å; Y376-L514 HydrophobicContact CD2-CB 3.79Å; Y376-L514 HydrophobicContact CD2-CD1 4.36Å; Y376-L514 HydrophobicContact CG-CB 4.29Å; Y376-L514 PolarHBondContact N-O 3.23Å; Y376-L514 PolarHBondContact O-N 3.16Å |
| 377 | S | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 6.7 Ų | 6.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | trans | -60.6 | 139.6 | 176.1 | 176.7 | 0 | 0 | 0 | 0 | 113.7 | G338 Q379 L380 W412 Q820 | G338-S377 VanDerWaalsContact O-CB 3.26Å; G338-S377 WeakPolarHBondContact O-CB 3.22Å; G338-S377 PolarHBondContact O-N 2.94Å; S377-Q379 PolarHBondContact O-N 2.51Å; S377-Q379 VanDerWaalsContact O-N 3.08Å; S377-Q379 PolarHBondContact OG-N 2.96Å; S377-L380 WeakPolarHBondContact O-CB 3.26Å; S377-L380 PolarHBondContact O-N 3.36Å; S377-W412 WeakPolarHBondContact O-CZ2 3.42Å; S377-Q820 PolarHBondContact OG-OE1 3.28Å | ||
| 378 | A | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -12.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | G414 L415 G512 E513 I819 L824 | A378-G414 WeakPolarHBondContact O-CA 3.44Å; A378-L415 HydrophobicContact CB-CD2 3.68Å; A378-L415 HydrophobicContact CB-CG 3.99Å; A378-L415 PolarHBondContact O-N 2.68Å; A378-G512 VanDerWaalsContact CB-C 3.47Å; A378-E513 HydrophobicContact CB-CB 4.26Å; A378-I819 HydrophobicContact CB-CD1 3.73Å; A378-L824 HydrophobicContact CB-CD2 3.91Å |
| 379 | Q | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 7 Ų | 7 | 0% | 0 | 4% | 0.044 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | -15.7 | 179.3 | -156.6 | 67.7 | 3.3 | 0 | 0 | 114 | S377 P381 Q382 I383 L415 Q820 F821 F1013 I1015 | S377-Q379 PolarHBondContact O-N 2.51Å; S377-Q379 VanDerWaalsContact O-N 3.08Å; S377-Q379 PolarHBondContact OG-N 2.96Å; Q379-P381 VanDerWaalsContact C-CD 3.43Å; Q379-P381 VanDerWaalsContact C-N 3.33Å; Q379-Q382 PolarHBondContact O-N 3.13Å; Q379-Q382 VanDerWaalsContact O-N 3.15Å; Q379-I383 HydrophobicContact CB-CD1 4.4Å; Q379-I383 HydrophobicContact CG-CD1 4.24Å; Q379-I383 HydrophobicContact CG-CG1 4.35Å; Q379-I383 PolarHBondContact O-N 3.27Å; Q379-L415 VanDerWaalsContact OE1-CB 3.31Å; Q379-L415 VanDerWaalsContact OE1-CD1 3.31Å; Q379-L415 VanDerWaalsContact OE1-CG 3.28Å; Q379-Q820 HydrophobicContact CB-CB 4.36Å; Q379-Q820 WeakPolarHBondContact CB-O 3.15Å; Q379-Q820 VanDerWaalsContact CG-O 3.23Å; Q379-Q820 WeakPolarHBondContact CG-O 3.38Å; Q379-F821 HydrophobicContact CG-CB 4.09Å; Q379-F821 HydrophobicContact CG-CD2 4.31Å; Q379-F1013 PolarHBondContact NE2-O 3.35Å; Q379-I1015 HydrophobicContact CG-CD1 4.41Å |
| 380 | L | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -55.6 | -36.7 | -176.8 | -78.9 | 167 | 0 | 0 | 0 | 114.1 | M336 M346 F368 S377 Q382 I383 M384 W412 | M336-L380 HydrophobicContact CE-CD2 3.71Å; M346-L380 HydrophobicContact SD-CD2 3.72Å; M346-L380 HydrophobicContact SD-CG 4.18Å; F368-L380 HydrophobicContact CE1-CD2 4.36Å; S377-L380 WeakPolarHBondContact O-CB 3.26Å; S377-L380 PolarHBondContact O-N 3.36Å; L380-Q382 VanDerWaalsContact C-N 3.35Å; L380-Q382 PolarHBondContact O-N 3.45Å; L380-I383 PolarHBondContact O-N 2.88Å; L380-M384 HydrophobicContact CB-CE 4.1Å; L380-M384 WeakPolarHBondContact O-CB 3.35Å; L380-M384 WeakPolarHBondContact O-CE 3.18Å; L380-M384 VanDerWaalsContact O-CG 3.3Å; L380-M384 WeakPolarHBondContact O-CG 3.39Å; L380-M384 PolarHBondContact O-N 2.77Å; L380-W412 HydrophobicContact CB-CH2 3.47Å; L380-W412 VanDerWaalsContact CB-CH2 3.47Å; L380-W412 HydrophobicContact CB-CZ2 4.23Å; L380-W412 HydrophobicContact CB-CZ3 3.94Å; L380-W412 HydrophobicContact CD1-CH2 3.82Å; L380-W412 HydrophobicContact CG-CH2 4.27Å |
| 381 | P | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 10 Ų | 10 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -54.1 | -45.2 | 174.7 | -31 | 39.4 | 0 | 0 | 0 | 114.5 | Q379 Q385 W412 S418 V420 | Q379-P381 VanDerWaalsContact C-CD 3.43Å; Q379-P381 VanDerWaalsContact C-N 3.33Å; P381-Q385 WeakPolarHBondContact O-CG 3.36Å; P381-Q385 PolarHBondContact O-N 2.97Å; P381-Q385 VanDerWaalsContact O-N 3.11Å; P381-W412 HydrophobicContact CG-CD2 3.46Å; P381-W412 VanDerWaalsContact CG-CD2 3.46Å; P381-W412 HydrophobicContact CG-CE3 3.86Å; P381-W412 HydrophobicContact CG-CG 3.79Å; P381-W412 HydrophobicContact CG-CH2 4.43Å; P381-W412 HydrophobicContact CG-CZ2 4.07Å; P381-W412 HydrophobicContact CG-CZ3 4.33Å; P381-S418 WeakPolarHBondContact CB-O 3.33Å; P381-V420 HydrophobicContact CB-CG1 4.44Å; P381-V420 HydrophobicContact CB-CG2 4.35Å; P381-V420 HydrophobicContact CG-CG2 4.44Å |
| 382 | Q | 98.8 | Very high | 98.2 | Very high | 14 Ų | 14 | 10 Ų | 10 | 7% | 0.065 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -70.3 | -42.3 | 178.3 | -171.1 | -172.5 | 52.9 | 0 | 0 | 111.7 | Q379 L380 M384 Q385 G386 D416 F1013 Q1014 I1015 | Q379-Q382 PolarHBondContact O-N 3.13Å; Q379-Q382 VanDerWaalsContact O-N 3.15Å; L380-Q382 VanDerWaalsContact C-N 3.35Å; L380-Q382 PolarHBondContact O-N 3.45Å; Q382-M384 VanDerWaalsContact C-N 3.34Å; Q382-M384 PolarHBondContact O-N 3Å; Q382-Q385 PolarHBondContact O-N 2.86Å; Q382-G386 PolarHBondContact O-N 3.02Å; Q382-D416 VanDerWaalsContact CD-OD2 3.29Å; Q382-D416 VanDerWaalsContact CG-OD2 3.3Å; Q382-D416 WeakPolarHBondContact CG-OD2 3.38Å; Q382-D416 PolarHBondContact NE2-OD2 3.38Å; Q382-F1013 PolarHBondContact NE2-O 2.92Å; Q382-F1013 VanDerWaalsContact NE2-O 3.14Å; Q382-F1013 PolarHBondContact OE1-O 3.22Å; Q382-Q1014 VanDerWaalsContact NE2-CA 3.31Å; Q382-I1015 VanDerWaalsContact NE2-N 3.16Å |
| 383 | I | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 177.9 | -63.9 | 171.9 | 0 | 0 | 0 | 110.1 | M346 V347 F350 Q379 L380 Q385 G386 C387 F821 L989 I1015 | M346-I383 HydrophobicContact CB-CD1 4.07Å; M346-I383 HydrophobicContact SD-CD1 4.11Å; V347-I383 HydrophobicContact CG2-CG2 4.18Å; F350-I383 HydrophobicContact CD2-CG2 3.68Å; F350-I383 HydrophobicContact CE2-CG2 3.69Å; Q379-I383 HydrophobicContact CB-CD1 4.4Å; Q379-I383 HydrophobicContact CG-CD1 4.24Å; Q379-I383 HydrophobicContact CG-CG1 4.35Å; Q379-I383 PolarHBondContact O-N 3.27Å; L380-I383 PolarHBondContact O-N 2.88Å; I383-Q385 PolarHBondContact O-N 3.01Å; I383-G386 PolarHBondContact O-N 3.23Å; I383-C387 WeakPolarHBondContact O-CB 3.37Å; I383-C387 PolarHBondContact O-N 2.9Å; I383-C387 PolarHBondContact O-SG 3.05Å; I383-F821 HydrophobicContact CD1-CD2 4.03Å; I383-F821 HydrophobicContact CD1-CE2 4.06Å; I383-F821 HydrophobicContact CG1-CD2 4.39Å; I383-F821 HydrophobicContact CG1-CE2 4.4Å; I383-L989 HydrophobicContact CB-CD1 4.4Å; I383-L989 HydrophobicContact CG2-CD1 4.21Å; I383-I1015 HydrophobicContact CG1-CD1 4.02Å |
| 384 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 9.6 Ų | 9.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -56.8 | -51.3 | 175.5 | -78.5 | -173.5 | -80.7 | 0 | 0 | 111.3 | F350 F368 L380 Q382 G386 C387 G388 I389 F392 W412 V420 | F350-M384 HydrophobicContact CZ-CG 3.96Å; F368-M384 HydrophobicContact CB-CG 4.17Å; F368-M384 HydrophobicContact CB-SD 3.55Å; F368-M384 VanDerWaalsContact CB-SD 3.55Å; F368-M384 HydrophobicContact CD1-CG 4.21Å; F368-M384 HydrophobicContact CD1-SD 3.68Å; F368-M384 HydrophobicContact CG-SD 4.09Å; L380-M384 HydrophobicContact CB-CE 4.1Å; L380-M384 WeakPolarHBondContact O-CB 3.35Å; L380-M384 WeakPolarHBondContact O-CE 3.18Å; L380-M384 VanDerWaalsContact O-CG 3.3Å; L380-M384 WeakPolarHBondContact O-CG 3.39Å; L380-M384 PolarHBondContact O-N 2.77Å; Q382-M384 VanDerWaalsContact C-N 3.34Å; Q382-M384 PolarHBondContact O-N 3Å; M384-G386 VanDerWaalsContact C-N 3.34Å; M384-G386 PolarHBondContact O-N 3.02Å; M384-C387 CarbonylContact O-C 3.41Å; M384-C387 WeakPolarHBondContact O-CA 3.32Å; M384-C387 PolarHBondContact O-N 3.29Å; M384-G388 PolarHBondContact O-N 3.47Å; M384-I389 CarbonylContact C-O 3.5Å; M384-I389 HydrophobicContact CB-CB 4.03Å; M384-I389 HydrophobicContact CB-CG2 3.97Å; M384-I389 HydrophobicContact CG-CB 4.44Å; M384-I389 HydrophobicContact CG-CG2 4.05Å; M384-I389 WeakPolarHBondContact O-CA 3.23Å; M384-I389 WeakPolarHBondContact O-CB 3.48Å; M384-I389 PolarHBondContact O-N 3.47Å; M384-I389 VanDerWaalsContact O-O 3.13Å; M384-I389 HydrophobicContact SD-CG2 4.12Å; M384-F392 HydrophobicContact CE-CB 4.31Å; M384-F392 HydrophobicContact CE-CG 4.34Å; M384-F392 HydrophobicContact SD-CB 4.08Å; M384-F392 HydrophobicContact SD-CD2 4.21Å; M384-F392 HydrophobicContact SD-CG 4.29Å; M384-W412 HydrophobicContact CE-CE3 3.73Å; M384-W412 HydrophobicContact CE-CH2 4.45Å; M384-W412 HydrophobicContact CE-CZ3 3.48Å; M384-W412 VanDerWaalsContact CE-CZ3 3.48Å; M384-V420 HydrophobicContact CB-CG1 4.01Å; M384-V420 HydrophobicContact CE-CB 4.3Å; M384-V420 HydrophobicContact CE-CG1 3.99Å; M384-V420 HydrophobicContact CE-CG2 3.58Å; M384-V420 HydrophobicContact SD-CG1 4.33Å; M384-V420 HydrophobicContact SD-CG2 4.47Å |
| 385 | Q | 98.4 | Very high | 98.2 | Very high | 81 Ų | 81 | 9.8 Ų | 9.8 | 38% | 0.379 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | -60.1 | -44 | 178.5 | -74.6 | -69.6 | -15.9 | 0 | 0 | 111.9 | P381 Q382 I383 C387 G388 I389 K419 V420 | P381-Q385 WeakPolarHBondContact O-CG 3.36Å; P381-Q385 PolarHBondContact O-N 2.97Å; P381-Q385 VanDerWaalsContact O-N 3.11Å; Q382-Q385 PolarHBondContact O-N 2.86Å; I383-Q385 PolarHBondContact O-N 3.01Å; Q385-C387 PolarHBondContact O-N 2.82Å; Q385-G388 PolarHBondContact O-N 3.11Å; Q385-I389 WeakPolarHBondContact CA-O 3.11Å; Q385-I389 PolarHBondContact N-O 2.7Å; Q385-K419 PolarHBondContact NE2-O 3.16Å; Q385-V420 HydrophobicContact CG-CG1 4.17Å |
| 386 | G | 98.1 | Very high | 98 | Very high | 20 Ų | 20 | 10.2 Ų | 10.2 | 21% | 0.206 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -62.3 | -22.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q382 I383 M384 D988 L989 | Q382-G386 PolarHBondContact O-N 3.02Å; I383-G386 PolarHBondContact O-N 3.23Å; M384-G386 VanDerWaalsContact C-N 3.34Å; M384-G386 PolarHBondContact O-N 3.02Å; G386-D988 WeakPolarHBondContact O-CB 3.21Å; G386-L989 WeakPolarHBondContact O-CB 3.28Å; G386-L989 PolarHBondContact O-N 3.18Å |
| 387 | C | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | 7.8 | 173.9 | -65.7 | 0 | 0 | 0 | 0 | 113.4 | F350 Q354 I383 M384 Q385 I389 L989 L990 | F350-C387 HydrophobicContact CB-CB 3.84Å; F350-C387 WeakPolarHBondContact CB-SG 3.24Å; F350-C387 HydrophobicContact CD1-CB 4.37Å; F350-C387 HydrophobicContact CD2-CB 4.45Å; F350-C387 HydrophobicContact CG-CB 3.98Å; Q354-C387 PolarHBondContact NE2-O 3.43Å; I383-C387 WeakPolarHBondContact O-CB 3.37Å; I383-C387 PolarHBondContact O-N 2.9Å; I383-C387 PolarHBondContact O-SG 3.05Å; M384-C387 CarbonylContact O-C 3.41Å; M384-C387 WeakPolarHBondContact O-CA 3.32Å; M384-C387 PolarHBondContact O-N 3.29Å; Q385-C387 PolarHBondContact O-N 2.82Å; C387-I389 VanDerWaalsContact C-N 3.35Å; C387-L989 VanDerWaalsContact SG-CB 3.59Å; C387-L990 HydrophobicContact CB-CD2 4.27Å; C387-L990 HydrophobicContact CB-CG 4.4Å; C387-L990 WeakPolarHBondContact O-CD1 3.4Å |
| 388 | G | 97.3 | Very high | 97.6 | Very high | 20 Ų | 20 | 12.2 Ų | 12.2 | 21% | 0.206 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.9 | 20.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | K366 M384 Q385 | K366-G388 WeakPolarHBondContact CD-O 3.34Å; K366-G388 PolarHBondContact NZ-O 2.94Å; M384-G388 PolarHBondContact O-N 3.47Å; Q385-G388 PolarHBondContact O-N 3.11Å |
| 389 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 9% | 0.094 | C | C | . | . | trans | -102.2 | 126.3 | 176 | -67.5 | 172.6 | 0 | 0 | 0 | 108.9 | F350 F368 M384 Q385 C387 N391 | F350-I389 HydrophobicContact CD1-CD1 3.43Å; F350-I389 VanDerWaalsContact CD1-CD1 3.43Å; F350-I389 HydrophobicContact CE1-CD1 3.28Å; F350-I389 HydrophobicContact CZ-CD1 4.32Å; F368-I389 HydrophobicContact CB-CD1 4.39Å; F368-I389 HydrophobicContact CB-CG2 3.92Å; F368-I389 VanDerWaalsContact N-CG2 3.34Å; M384-I389 CarbonylContact C-O 3.5Å; M384-I389 HydrophobicContact CB-CB 4.03Å; M384-I389 HydrophobicContact CB-CG2 3.97Å; M384-I389 HydrophobicContact CG-CB 4.44Å; M384-I389 HydrophobicContact CG-CG2 4.05Å; M384-I389 WeakPolarHBondContact O-CA 3.23Å; M384-I389 WeakPolarHBondContact O-CB 3.48Å; M384-I389 PolarHBondContact O-N 3.47Å; M384-I389 VanDerWaalsContact O-O 3.13Å; M384-I389 HydrophobicContact SD-CG2 4.12Å; Q385-I389 WeakPolarHBondContact CA-O 3.11Å; Q385-I389 PolarHBondContact N-O 2.7Å; C387-I389 VanDerWaalsContact C-N 3.35Å; I389-N391 VanDerWaalsContact CG2-O 3.31Å; I389-N391 WeakPolarHBondContact CG2-O 3.5Å | ||
| 390 | S | 97.9 | Very high | 97.2 | Very high | 46 Ų | 46 | 17.2 Ų | 17.2 | 32% | 0.322 | 10% | 0.098 | S | C | . | . | trans | -114 | -11.6 | -177.9 | 62.9 | 0 | 0 | 0 | 0 | 113.6 | K366 V420 L421 | K366-S390 PolarHBondContact O-N 2.91Å; S390-V420 WeakPolarHBondContact O-CA 3.48Å; S390-V420 WeakPolarHBondContact O-CB 3.23Å; S390-L421 PolarHBondContact O-N 2.68Å | ||
| 391 | N | 98.6 | Very high | 96.8 | Very high | 17 Ų | 17 | 20.9 Ų | 20.9 | 9% | 0.091 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 150.8 | -173.5 | -55.5 | -38.6 | 0 | 0 | 0 | 110.5 | K366 E367 F368 I389 L421 F497 | K366-N391 PolarHBondContact O-N 3.01Å; K366-N391 VanDerWaalsContact O-N 3.09Å; E367-N391 CarbonylContact C-O 3.57Å; E367-N391 VanDerWaalsContact CA-O 3.28Å; E367-N391 WeakPolarHBondContact CA-O 3.46Å; E367-N391 HydrophobicContact CB-CB 3.88Å; F368-N391 PolarHBondContact N-O 3.24Å; I389-N391 VanDerWaalsContact CG2-O 3.31Å; I389-N391 WeakPolarHBondContact CG2-O 3.5Å; N391-L421 CarbonylContact C-O 3.57Å; N391-L421 VanDerWaalsContact CA-O 3.28Å; N391-L421 WeakPolarHBondContact CA-O 3.19Å; N391-F497 HydrophobicContact CB-CD1 3.72Å; N391-F497 HydrophobicContact CB-CD2 3.86Å; N391-F497 HydrophobicContact CB-CE1 3.74Å; N391-F497 HydrophobicContact CB-CE2 3.88Å; N391-F497 HydrophobicContact CB-CG 3.79Å; N391-F497 HydrophobicContact CB-CZ 3.82Å |
| 392 | F | 98.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 134 | 178.5 | 179.9 | -131.9 | 0 | 0 | 0 | 111.4 | F368 L370 Y376 M384 T394 W412 V420 L421 T422 H423 L514 | F368-F392 HydrophobicContact CB-CD2 3.93Å; F368-F392 AromaticContact CD1-CD2 3.63Å; F368-F392 HydrophobicContact CD1-CD2 3.63Å; F368-F392 AromaticContact CD1-CE2 3.56Å; F368-F392 HydrophobicContact CD1-CE2 3.56Å; F368-F392 HydrophobicContact CE1-CE2 4.04Å; F368-F392 HydrophobicContact CG-CD2 4.04Å; F368-F392 HydrophobicContact CG-CE2 4.21Å; F368-F392 WeakPolarHBondContact O-CA 3.39Å; F368-F392 WeakPolarHBondContact O-CD2 3.07Å; L370-F392 HydrophobicContact CB-CE2 3.9Å; L370-F392 HydrophobicContact CB-CZ 4.48Å; Y376-F392 HydrophobicContact CD1-CE1 4.22Å; Y376-F392 AromaticContact CD1-CZ 3.58Å; Y376-F392 HydrophobicContact CD1-CZ 3.58Å; Y376-F392 HydrophobicContact CE1-CE1 4.45Å; Y376-F392 HydrophobicContact CE1-CE2 4.49Å; Y376-F392 AromaticContact CE1-CZ 3.6Å; Y376-F392 HydrophobicContact CE1-CZ 3.6Å; Y376-F392 HydrophobicContact CG-CZ 4.33Å; M384-F392 HydrophobicContact CE-CB 4.31Å; M384-F392 HydrophobicContact CE-CG 4.34Å; M384-F392 HydrophobicContact SD-CB 4.08Å; M384-F392 HydrophobicContact SD-CD2 4.21Å; M384-F392 HydrophobicContact SD-CG 4.29Å; F392-T394 HydrophobicContact CD1-CG2 4.3Å; F392-T394 HydrophobicContact CE1-CG2 3.43Å; F392-T394 VanDerWaalsContact CE1-CG2 3.43Å; F392-T394 HydrophobicContact CE2-CG2 4.5Å; F392-T394 HydrophobicContact CZ-CG2 3.55Å; F392-W412 AromaticContact CD1-CE3 3.55Å; F392-W412 HydrophobicContact CD1-CE3 3.55Å; F392-W412 AromaticContact CD1-CZ3 3.6Å; F392-W412 HydrophobicContact CD1-CZ3 3.6Å; F392-W412 AromaticContact CE1-CE3 3.91Å; F392-W412 HydrophobicContact CE1-CE3 3.91Å; F392-W412 HydrophobicContact CE1-CH2 4.45Å; F392-W412 AromaticContact CE1-CZ3 3.57Å; F392-W412 HydrophobicContact CE1-CZ3 3.57Å; F392-W412 HydrophobicContact CG-CE3 4.32Å; F392-W412 HydrophobicContact CG-CZ3 4.28Å; F392-W412 HydrophobicContact CZ-CZ3 4.24Å; F392-V420 HydrophobicContact CB-CG2 4.19Å; F392-L421 PolarHBondContact N-O 3.03Å; F392-T422 HydrophobicContact CB-CG2 4.35Å; F392-T422 HydrophobicContact CD1-CG2 3.56Å; F392-T422 HydrophobicContact CE1-CG2 4.32Å; F392-T422 HydrophobicContact CG-CG2 4.34Å; F392-T422 CarbonylContact O-C 3.45Å; F392-T422 VanDerWaalsContact O-CA 3.31Å; F392-T422 WeakPolarHBondContact O-CA 3.48Å; F392-H423 PolarHBondContact O-N 3.38Å; F392-L514 HydrophobicContact CE1-CD1 4.14Å |
| 393 | L | 98.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 130.1 | 172.6 | -172.8 | 147.4 | 0 | 0 | 0 | 110.6 | F368 W369 L370 H423 P425 A456 L458 F497 | F368-L393 PolarHBondContact O-N 3.22Å; W369-L393 HydrophobicContact CD2-CB 4.34Å; W369-L393 HydrophobicContact CD2-CD2 4.08Å; W369-L393 HydrophobicContact CE3-CB 3.98Å; W369-L393 HydrophobicContact CE3-CD1 4.21Å; W369-L393 HydrophobicContact CE3-CD2 4.38Å; W369-L393 HydrophobicContact CE3-CG 4.41Å; W369-L393 HydrophobicContact CH2-CD1 3.72Å; W369-L393 HydrophobicContact CH2-CD2 4.4Å; W369-L393 HydrophobicContact CZ2-CD1 4.21Å; W369-L393 HydrophobicContact CZ2-CD2 4.09Å; W369-L393 HydrophobicContact CZ3-CB 4.29Å; W369-L393 HydrophobicContact CZ3-CD1 3.71Å; W369-L393 HydrophobicContact CZ3-CG 4.39Å; L370-L393 PolarHBondContact N-O 3Å; L393-H423 WeakPolarHBondContact CA-O 3.45Å; L393-P425 HydrophobicContact CD1-CG 4.22Å; L393-P425 HydrophobicContact CD2-CG 4.18Å; L393-P425 HydrophobicContact CG-CG 4.32Å; L393-A456 HydrophobicContact CD1-CB 4.29Å; L393-L458 HydrophobicContact CD2-CD1 3.93Å; L393-F497 HydrophobicContact CB-CZ 4.4Å |
| 394 | T | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -147.4 | 162.2 | 172.3 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L370 Y376 F392 H423 F424 P425 | L370-T394 WeakPolarHBondContact O-CA 3.27Å; L370-T394 WeakPolarHBondContact O-CB 3.41Å; L370-T394 PolarHBondContact O-OG1 2.82Å; Y376-T394 HydrophobicContact CE1-CG2 4.42Å; Y376-T394 HydrophobicContact CE2-CG2 4.32Å; Y376-T394 PolarHBondContact OH-OG1 2.96Å; F392-T394 HydrophobicContact CD1-CG2 4.3Å; F392-T394 HydrophobicContact CE1-CG2 3.43Å; F392-T394 VanDerWaalsContact CE1-CG2 3.43Å; F392-T394 HydrophobicContact CE2-CG2 4.5Å; F392-T394 HydrophobicContact CZ-CG2 3.55Å; T394-H423 PolarHBondContact N-O 2.78Å; T394-F424 HydrophobicContact CG2-CD1 3.45Å; T394-F424 VanDerWaalsContact CG2-CD1 3.45Å; T394-F424 HydrophobicContact CG2-CE1 3.11Å; T394-F424 HydrophobicContact CG2-CZ 3.99Å; T394-F424 WeakPolarHBondContact O-CA 3.32Å; T394-F424 WeakPolarHBondContact O-CD1 3.44Å; T394-P425 VanDerWaalsContact O-CD 3.24Å; T394-P425 WeakPolarHBondContact O-CD 3.24Å | ||
| 395 | Q | 95.8 | Very high | 95.9 | Very high | 5 Ų | 5 | 29.2 Ų | 29.2 | 2% | 0.023 | 17% | 0.168 | C | C | . | . | trans | -121.2 | -30.5 | 177.1 | 174.8 | -85.1 | 11 | 0 | 0 | 113.2 | P371 L397 S398 N428 Y430 | P371-Q395 HydrophobicContact CB-CB 4.33Å; P371-Q395 PolarHBondContact O-N 3.37Å; P371-Q395 VanDerWaalsContact O-N 3.08Å; Q395-L397 VanDerWaalsContact C-N 3.26Å; Q395-L397 PolarHBondContact O-N 2.88Å; Q395-S398 WeakPolarHBondContact O-CB 3.35Å; Q395-S398 PolarHBondContact O-N 2.75Å; Q395-S398 PolarHBondContact O-OG 3.11Å; Q395-N428 PolarHBondContact NE2-O 3.2Å; Q395-Y430 HydrophobicContact CB-CD1 3.96Å; Q395-Y430 HydrophobicContact CG-CD1 3.91Å | ||
| 396 | K | 94.8 | Very high | 95.8 | Very high | 10 Ų | 10 | 27.9 Ų | 27.9 | 4% | 0.043 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -60 | -28.3 | -164.1 | -150.9 | 74.6 | 171.4 | -162.2 | 0 | 115 | P371 D372 T373 F374 S398 W399 L516 | P371-K396 PolarHBondContact O-N 2.71Å; D372-K396 WeakPolarHBondContact OD1-CD 3.15Å; D372-K396 WeakPolarHBondContact OD1-CE 3.46Å; D372-K396 IonicContact OD1-NZ 3.66Å; D372-K396 PolarHBondContact OD1-NZ 2.85Å; D372-K396 IonicContact OD2-NZ 3.11Å; D372-K396 PolarHBondContact OD2-NZ 3.24Å; T373-K396 VanDerWaalsContact O-CB 3.28Å; T373-K396 WeakPolarHBondContact O-CB 3.27Å; F374-K396 HydrophobicContact CD1-CD 4.44Å; F374-K396 HydrophobicContact CD1-CG 4.29Å; F374-K396 HydrophobicContact CE1-CD 4.49Å; K396-S398 PolarHBondContact O-N 2.89Å; K396-W399 VanDerWaalsContact O-CB 3.3Å; K396-W399 WeakPolarHBondContact O-CB 3.49Å; K396-W399 PolarHBondContact O-N 2.79Å; K396-L516 HydrophobicContact CG-CD1 4.36Å; K396-L516 HydrophobicContact CG-CD2 3.86Å; K396-L516 VanDerWaalsContact O-CD1 3.28Å; K396-L516 WeakPolarHBondContact O-CD1 3.14Å |
| 397 | L | 94.2 | Very high | 95.7 | Very high | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -62.5 | -15.1 | 175.5 | -68.2 | -177.8 | 0 | 0 | 0 | 114.3 | Y376 Q395 W399 N400 F405 F424 L514 L516 | Y376-L397 HydrophobicContact CD2-CD1 4.44Å; Y376-L397 HydrophobicContact CD2-CD2 4.41Å; Y376-L397 HydrophobicContact CD2-CG 4.35Å; Y376-L397 HydrophobicContact CE2-CD1 4.45Å; Y376-L397 HydrophobicContact CE2-CD2 4.23Å; Y376-L397 HydrophobicContact CE2-CG 3.97Å; Q395-L397 VanDerWaalsContact C-N 3.26Å; Q395-L397 PolarHBondContact O-N 2.88Å; L397-W399 PolarHBondContact O-N 2.66Å; L397-N400 PolarHBondContact O-N 3.38Å; L397-F405 HydrophobicContact CD1-CD2 4.26Å; L397-F405 HydrophobicContact CD1-CE2 4.36Å; L397-F424 HydrophobicContact CB-CE2 4.14Å; L397-F424 HydrophobicContact CD1-CE1 4.4Å; L397-F424 HydrophobicContact CD1-CE2 3.62Å; L397-F424 HydrophobicContact CD1-CZ 3.41Å; L397-F424 VanDerWaalsContact CD1-CZ 3.41Å; L397-F424 HydrophobicContact CG-CE2 4.48Å; L397-F424 HydrophobicContact CG-CZ 4.43Å; L397-L514 HydrophobicContact CD1-CB 3.65Å; L397-L514 HydrophobicContact CD1-CD1 4.11Å; L397-L514 HydrophobicContact CD1-CD2 3.94Å; L397-L514 HydrophobicContact CD1-CG 4.11Å; L397-L516 HydrophobicContact CD2-CB 4.15Å; L397-L516 HydrophobicContact CD2-CD1 4.28Å |
| 398 | S | 92.9 | Very high | 95.6 | Very high | 42 Ų | 42 | 28.7 Ų | 28.7 | 29% | 0.294 | 17% | 0.165 | S | C | . | . | G | 310 helix | trans | -68.1 | -10.5 | 170.5 | 62.8 | 0 | 0 | 0 | 0 | 113.6 | Q395 K396 N428 | Q395-S398 WeakPolarHBondContact O-CB 3.35Å; Q395-S398 PolarHBondContact O-N 2.75Å; Q395-S398 PolarHBondContact O-OG 3.11Å; K396-S398 PolarHBondContact O-N 2.89Å; S398-N428 WeakPolarHBondContact CB-OD1 3.45Å |
| 399 | W | 93.3 | Very high | 95.7 | Very high | 89 Ų | 89 | 27.7 Ų | 27.7 | 34% | 0.337 | 16% | 0.155 | S | C | . | . | G | 310 helix | trans | -97.7 | 7.4 | -179.3 | -69.4 | 36.4 | 0 | 0 | 0 | 113.6 | K396 L397 L401 L518 W727 | K396-W399 VanDerWaalsContact O-CB 3.3Å; K396-W399 WeakPolarHBondContact O-CB 3.49Å; K396-W399 PolarHBondContact O-N 2.79Å; L397-W399 PolarHBondContact O-N 2.66Å; W399-L401 PolarHBondContact O-N 3.08Å; W399-L518 HydrophobicContact CB-CD2 4.22Å; W399-L518 HydrophobicContact CE3-CD2 4.04Å; W399-W727 HydrophobicContact CE3-CH2 4.16Å; W399-W727 AromaticContact CZ3-CH2 3.69Å; W399-W727 HydrophobicContact CZ3-CH2 3.69Å; W399-W727 AromaticContact CZ3-CZ2 3.89Å; W399-W727 HydrophobicContact CZ3-CZ2 3.89Å; W399-W727 HydrophobicContact CZ3-CZ3 4.39Å |
| 400 | N | 93.6 | Very high | 95.7 | Very high | 16 Ų | 16 | 27.7 Ų | 27.7 | 9% | 0.086 | 16% | 0.155 | C | C | . | . | trans | -51.3 | 126.8 | 172.2 | -81.7 | -7.3 | 0 | 0 | 0 | 110.7 | L397 V402 N403 E517 | L397-N400 PolarHBondContact O-N 3.38Å; N400-V402 VanDerWaalsContact C-N 3.33Å; N400-V402 PolarHBondContact O-N 2.88Å; N400-N403 WeakPolarHBondContact CB-O 3.35Å; N400-N403 PolarHBondContact ND2-O 2.73Å; N400-E517 HydrophobicContact CB-CB 4.25Å; N400-E517 HydrophobicContact CB-CG 4.08Å; N400-E517 PolarHBondContact OD1-N 2.88Å | ||
| 401 | L | 90.8 | Very high | 95.7 | Very high | 77 Ų | 77 | 27.3 Ų | 27.3 | 40% | 0.403 | 15% | 0.147 | S | C | . | . | S | Bend | trans | -66 | -36.8 | -172.5 | -175.8 | 68.1 | 0 | 0 | 0 | 112.1 | W399 Y726 M733 | W399-L401 PolarHBondContact O-N 3.08Å; L401-Y726 HydrophobicContact CD1-CE2 4.35Å; L401-M733 HydrophobicContact CD2-CE 3.69Å |
| 402 | V | 90.1 | Very high | 95.7 | Very high | 60 Ų | 60 | 26.5 Ų | 26.5 | 36% | 0.364 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -117.2 | -53.9 | -170.1 | -179 | 0 | 0 | 0 | 0 | 110.4 | N400 E517 W836 | N400-V402 VanDerWaalsContact C-N 3.33Å; N400-V402 PolarHBondContact O-N 2.88Å; V402-E517 WeakPolarHBondContact CA-OE2 3.47Å; V402-E517 WeakPolarHBondContact CB-OE2 3.23Å; V402-E517 PolarHBondContact N-OE2 3.18Å; V402-W836 HydrophobicContact CB-CZ3 4.02Å; V402-W836 HydrophobicContact CG1-CE3 4.12Å; V402-W836 HydrophobicContact CG1-CZ3 3.63Å; V402-W836 HydrophobicContact CG2-CE3 4.07Å; V402-W836 HydrophobicContact CG2-CH2 3.71Å; V402-W836 HydrophobicContact CG2-CZ3 3.25Å |
| 403 | N | 95.5 | Very high | 95.7 | Very high | 16 Ų | 16 | 28.6 Ų | 28.6 | 9% | 0.086 | 15% | 0.153 | C | C | . | . | trans | -102.4 | 106.6 | -173.7 | -53.9 | -71.5 | 0 | 0 | 0 | 111.4 | N400 F405 E517 S833 W834 | N400-N403 WeakPolarHBondContact CB-O 3.35Å; N400-N403 PolarHBondContact ND2-O 2.73Å; N403-F405 PolarHBondContact O-N 2.79Å; N403-E517 WeakPolarHBondContact CB-OE1 3.4Å; N403-E517 PolarHBondContact N-OE2 2.79Å; N403-E517 PolarHBondContact ND2-OE1 3.34Å; N403-S833 VanDerWaalsContact ND2-C 3.29Å; N403-S833 PolarHBondContact ND2-O 3.45Å; N403-S833 VanDerWaalsContact ND2-O 3.15Å; N403-S833 WeakPolarHBondContact OD1-CB 3.44Å; N403-S833 PolarHBondContact OD1-OG 3.28Å; N403-W834 HydrophobicContact CB-CD2 3.91Å; N403-W834 HydrophobicContact CB-CE3 4.05Å; N403-W834 HydrophobicContact CB-CH2 3.74Å; N403-W834 HydrophobicContact CB-CZ2 3.56Å; N403-W834 HydrophobicContact CB-CZ3 3.98Å; N403-W834 PolarHBondContact ND2-N 3.49Å | ||
| 404 | T | 94.9 | Very high | 95.7 | Very high | 102 Ų | 102 | 28.6 Ų | 28.6 | 63% | 0.626 | 15% | 0.153 | S | C | * | . | trans | -59.4 | 126.1 | 166.2 | -52.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 405 | F | 96.1 | Very high | 95.7 | Very high | 11 Ų | 11 | 30.3 Ų | 30.3 | 5% | 0.048 | 16% | 0.162 | C | C | . | . | trans | -58.6 | 138.1 | 178.5 | -163.2 | -93.6 | 0 | 0 | 0 | 111.1 | L397 N403 H407 F410 F424 W510 L514 W834 | L397-F405 HydrophobicContact CD1-CD2 4.26Å; L397-F405 HydrophobicContact CD1-CE2 4.36Å; N403-F405 PolarHBondContact O-N 2.79Å; F405-H407 VanDerWaalsContact C-N 3.29Å; F405-H407 HydrophobicContact CD1-CB 4.36Å; F405-H407 VanDerWaalsContact CD1-O 3.29Å; F405-H407 WeakPolarHBondContact CD1-O 3.43Å; F405-H407 HydrophobicContact CE1-CB 4.11Å; F405-H407 PolarHBondContact O-N 2.88Å; F405-F410 HydrophobicContact CD1-CE1 4.49Å; F405-F410 HydrophobicContact CE1-CD1 4.16Å; F405-F410 AromaticContact CE1-CE1 3.64Å; F405-F410 HydrophobicContact CE1-CE1 3.64Å; F405-F410 HydrophobicContact CE1-CE2 4.3Å; F405-F410 AromaticContact CE1-CZ 3.72Å; F405-F410 HydrophobicContact CE1-CZ 3.72Å; F405-F410 HydrophobicContact CZ-CE1 4.31Å; F405-F410 HydrophobicContact CZ-CE2 4.24Å; F405-F410 AromaticContact CZ-CZ 3.91Å; F405-F410 HydrophobicContact CZ-CZ 3.91Å; F405-F424 HydrophobicContact CD1-CD2 4.11Å; F405-F424 AromaticContact CD1-CE2 3.5Å; F405-F424 HydrophobicContact CD1-CE2 3.5Å; F405-F424 VanDerWaalsContact CD1-CE2 3.5Å; F405-F424 AromaticContact CE1-CE2 3.68Å; F405-F424 HydrophobicContact CE1-CE2 3.68Å; F405-F424 HydrophobicContact CE1-CZ 4.32Å; F405-F424 AromaticContact CG-CE2 3.99Å; F405-F424 HydrophobicContact CG-CE2 3.99Å; F405-F424 HydrophobicContact CZ-CE2 4.33Å; F405-W510 AromaticContact CE2-CD2 3.81Å; F405-W510 HydrophobicContact CE2-CD2 3.81Å; F405-W510 AromaticContact CE2-CE2 3.81Å; F405-W510 AromaticContact CE2-CE3 3.87Å; F405-W510 HydrophobicContact CE2-CE3 3.87Å; F405-W510 HydrophobicContact CE2-CG 4.47Å; F405-W510 AromaticContact CE2-CH2 3.94Å; F405-W510 HydrophobicContact CE2-CH2 3.94Å; F405-W510 AromaticContact CE2-CZ2 3.88Å; F405-W510 HydrophobicContact CE2-CZ2 3.88Å; F405-W510 AromaticContact CE2-CZ3 3.94Å; F405-W510 HydrophobicContact CE2-CZ3 3.94Å; F405-W510 HydrophobicContact CZ-CB 4.39Å; F405-W510 AromaticContact CZ-CD2 3.58Å; F405-W510 HydrophobicContact CZ-CD2 3.58Å; F405-W510 AromaticContact CZ-CE3 3.65Å; F405-W510 HydrophobicContact CZ-CE3 3.65Å; F405-W510 AromaticContact CZ-CG 3.92Å; F405-W510 HydrophobicContact CZ-CG 3.92Å; F405-W510 HydrophobicContact CZ-CZ3 4.16Å; F405-L514 HydrophobicContact CE2-CD2 3.68Å; F405-L514 HydrophobicContact CZ-CD2 3.58Å; F405-W834 HydrophobicContact CD2-CH2 4.37Å | ||
| 406 | P | 95.8 | Very high | 95.8 | Very high | 53 Ų | 53 | 31.6 Ų | 31.6 | 34% | 0.344 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -75.9 | -10.6 | -167.9 | 27 | -34.8 | 0 | 0 | 0 | 115.1 | K447 W510 | P406-K447 VanDerWaalsContact O-CB 3.23Å; P406-K447 WeakPolarHBondContact O-CB 3.34Å; P406-W510 HydrophobicContact CG-CE3 4.34Å; P406-W510 HydrophobicContact CG-CZ3 3.94Å |
| 407 | H | 96.3 | Very high | 96 | Very high | 27 Ų | 27 | 32.9 Ų | 32.9 | 13% | 0.125 | 19% | 0.185 | C | C | . | . | trans | -134.8 | 150.2 | -174.9 | -59 | -66.5 | 0 | 0 | 0 | 112.5 | F405 F410 D448 C508 | F405-H407 VanDerWaalsContact C-N 3.29Å; F405-H407 HydrophobicContact CD1-CB 4.36Å; F405-H407 VanDerWaalsContact CD1-O 3.29Å; F405-H407 WeakPolarHBondContact CD1-O 3.43Å; F405-H407 HydrophobicContact CE1-CB 4.11Å; F405-H407 PolarHBondContact O-N 2.88Å; H407-F410 HydrophobicContact CB-CB 3.98Å; H407-F410 HydrophobicContact CB-CD1 3.64Å; H407-F410 HydrophobicContact CB-CE1 4.45Å; H407-F410 HydrophobicContact CB-CG 4.02Å; H407-D448 WeakPolarHBondContact CA-OD2 3.22Å; H407-D448 IonicContact CE1-OD1 3.67Å; H407-D448 IonicContact CG-OD1 3.19Å; H407-D448 IonicContact ND1-OD1 2.63Å; H407-D448 PolarHBondContact ND1-OD1 3.21Å; H407-D448 IonicContact ND1-OD2 3.59Å; H407-C508 VanDerWaalsContact CE1-CB 3.43Å; H407-C508 WeakPolarHBondContact CE1-CB 3.37Å; H407-C508 VanDerWaalsContact CE1-SG 3.51Å | ||
| 408 | N | 97.2 | Very high | 96.2 | Very high | 10 Ų | 10 | 34.2 Ų | 34.2 | 5% | 0.053 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -107.6 | -23 | 163.3 | -71.3 | 102.7 | 0 | 0 | 0 | 111.8 | H423 F424 P426 N445 N446 K447 D448 | N408-H423 CarbonylContact O-C 3.55Å; N408-H423 VanDerWaalsContact O-CA 3.23Å; N408-H423 WeakPolarHBondContact O-CA 3.37Å; N408-H423 PolarHBondContact O-ND1 2.79Å; N408-F424 PolarHBondContact ND2-O 3.36Å; N408-F424 PolarHBondContact O-N 3.21Å; N408-P426 HydrophobicContact CB-CG 4.01Å; N408-N445 PolarHBondContact OD1-O 2.87Å; N408-N446 WeakPolarHBondContact OD1-CA 3.48Å; N408-K447 WeakPolarHBondContact OD1-CG 3.37Å; N408-K447 PolarHBondContact OD1-N 3Å; N408-D448 PolarHBondContact N-OD2 3.27Å |
| 409 | T | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 119.7 | 175.2 | -50.8 | 0 | 0 | 0 | 0 | 110 | L421 T422 H423 D448 L500 L507 | T409-L421 HydrophobicContact CG2-CD1 4.25Å; T409-T422 WeakPolarHBondContact CA-O 3.48Å; T409-H423 PolarHBondContact OG1-ND1 3.32Å; T409-D448 PolarHBondContact N-OD2 3.5Å; T409-L500 HydrophobicContact CG2-CB 4.21Å; T409-L500 HydrophobicContact CG2-CD1 4.05Å; T409-L500 HydrophobicContact CG2-CD2 3.98Å; T409-L500 HydrophobicContact CG2-CG 4.3Å; T409-L507 HydrophobicContact CG2-CD1 3.89Å; T409-L507 HydrophobicContact CG2-CD2 3.92Å |
| 410 | F | 98.3 | Very high | 96.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.2 | 169.1 | -173.5 | 62.7 | -78.6 | 0 | 0 | 0 | 111.1 | F405 H407 W412 T422 F424 C508 W510 L514 | F405-F410 HydrophobicContact CD1-CE1 4.49Å; F405-F410 HydrophobicContact CE1-CD1 4.16Å; F405-F410 AromaticContact CE1-CE1 3.64Å; F405-F410 HydrophobicContact CE1-CE1 3.64Å; F405-F410 HydrophobicContact CE1-CE2 4.3Å; F405-F410 AromaticContact CE1-CZ 3.72Å; F405-F410 HydrophobicContact CE1-CZ 3.72Å; F405-F410 HydrophobicContact CZ-CE1 4.31Å; F405-F410 HydrophobicContact CZ-CE2 4.24Å; F405-F410 AromaticContact CZ-CZ 3.91Å; F405-F410 HydrophobicContact CZ-CZ 3.91Å; H407-F410 HydrophobicContact CB-CB 3.98Å; H407-F410 HydrophobicContact CB-CD1 3.64Å; H407-F410 HydrophobicContact CB-CE1 4.45Å; H407-F410 HydrophobicContact CB-CG 4.02Å; F410-W412 HydrophobicContact CD2-CB 4.43Å; F410-W412 HydrophobicContact CE2-CB 3.86Å; F410-T422 HydrophobicContact CD1-CG2 4.44Å; F410-T422 HydrophobicContact CE1-CG2 3.62Å; F410-T422 HydrophobicContact CE2-CG2 4.2Å; F410-T422 HydrophobicContact CZ-CG2 3.47Å; F410-T422 VanDerWaalsContact CZ-CG2 3.47Å; F410-T422 PolarHBondContact N-O 2.93Å; F410-T422 PolarHBondContact O-N 3.28Å; F410-F424 HydrophobicContact CE1-CD1 4.43Å; F410-F424 HydrophobicContact CE1-CD2 4.18Å; F410-F424 AromaticContact CE1-CE1 3.85Å; F410-F424 HydrophobicContact CE1-CE1 3.85Å; F410-F424 AromaticContact CE1-CE2 3.62Å; F410-F424 HydrophobicContact CE1-CE2 3.62Å; F410-F424 AromaticContact CE1-CZ 3.44Å; F410-F424 HydrophobicContact CE1-CZ 3.44Å; F410-F424 VanDerWaalsContact CE1-CZ 3.44Å; F410-F424 AromaticContact CZ-CE1 3.96Å; F410-F424 HydrophobicContact CZ-CE1 3.96Å; F410-F424 AromaticContact CZ-CE2 3.95Å; F410-F424 HydrophobicContact CZ-CE2 3.95Å; F410-F424 AromaticContact CZ-CZ 3.41Å; F410-F424 HydrophobicContact CZ-CZ 3.41Å; F410-F424 VanDerWaalsContact CZ-CZ 3.41Å; F410-C508 WeakPolarHBondContact CA-O 3.48Å; F410-C508 WeakPolarHBondContact CB-O 3.22Å; F410-W510 HydrophobicContact CD2-CB 3.66Å; F410-W510 HydrophobicContact CE2-CB 3.67Å; F410-W510 HydrophobicContact CE2-CG 4.39Å; F410-L514 HydrophobicContact CE2-CD2 4.27Å; F410-L514 HydrophobicContact CZ-CD1 4.48Å; F410-L514 HydrophobicContact CZ-CD2 4.12Å |
| 411 | F | 98.6 | Very high | 96.9 | Very high | 38 Ų | 38 | 31.2 Ų | 31.2 | 17% | 0.167 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 122.4 | 165.6 | -75.4 | -70.5 | 0 | 0 | 0 | 110.1 | K419 V420 L421 L507 C508 T509 W510 | F411-K419 HydrophobicContact CB-CD 4.23Å; F411-K419 HydrophobicContact CD1-CB 4.28Å; F411-K419 HydrophobicContact CG-CD 4.5Å; F411-V420 WeakPolarHBondContact CA-O 3.36Å; F411-L421 HydrophobicContact CD1-CB 4.47Å; F411-L421 HydrophobicContact CE1-CB 4.13Å; F411-L421 HydrophobicContact CE1-CD1 4.28Å; F411-L421 HydrophobicContact CZ-CD1 4.49Å; F411-L507 HydrophobicContact CD2-CB 4.14Å; F411-L507 HydrophobicContact CE2-CB 4.21Å; F411-L507 HydrophobicContact CE2-CD1 4.26Å; F411-C508 PolarHBondContact N-O 3.38Å; F411-T509 HydrophobicContact CB-CG2 4.45Å; F411-T509 CarbonylContact O-C 3.47Å; F411-T509 VanDerWaalsContact O-CA 3.24Å; F411-T509 WeakPolarHBondContact O-CA 3.08Å; F411-W510 PolarHBondContact O-N 2.92Å |
| 412 | W | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 119.1 | 169.8 | -179.3 | 22.8 | 0 | 0 | 0 | 109.5 | S377 L380 P381 M384 F392 F410 K419 V420 T422 G512 L514 | S377-W412 WeakPolarHBondContact O-CZ2 3.42Å; L380-W412 HydrophobicContact CB-CH2 3.47Å; L380-W412 VanDerWaalsContact CB-CH2 3.47Å; L380-W412 HydrophobicContact CB-CZ2 4.23Å; L380-W412 HydrophobicContact CB-CZ3 3.94Å; L380-W412 HydrophobicContact CD1-CH2 3.82Å; L380-W412 HydrophobicContact CG-CH2 4.27Å; P381-W412 HydrophobicContact CG-CD2 3.46Å; P381-W412 VanDerWaalsContact CG-CD2 3.46Å; P381-W412 HydrophobicContact CG-CE3 3.86Å; P381-W412 HydrophobicContact CG-CG 3.79Å; P381-W412 HydrophobicContact CG-CH2 4.43Å; P381-W412 HydrophobicContact CG-CZ2 4.07Å; P381-W412 HydrophobicContact CG-CZ3 4.33Å; M384-W412 HydrophobicContact CE-CE3 3.73Å; M384-W412 HydrophobicContact CE-CH2 4.45Å; M384-W412 HydrophobicContact CE-CZ3 3.48Å; M384-W412 VanDerWaalsContact CE-CZ3 3.48Å; F392-W412 AromaticContact CD1-CE3 3.55Å; F392-W412 HydrophobicContact CD1-CE3 3.55Å; F392-W412 AromaticContact CD1-CZ3 3.6Å; F392-W412 HydrophobicContact CD1-CZ3 3.6Å; F392-W412 AromaticContact CE1-CE3 3.91Å; F392-W412 HydrophobicContact CE1-CE3 3.91Å; F392-W412 HydrophobicContact CE1-CH2 4.45Å; F392-W412 AromaticContact CE1-CZ3 3.57Å; F392-W412 HydrophobicContact CE1-CZ3 3.57Å; F392-W412 HydrophobicContact CG-CE3 4.32Å; F392-W412 HydrophobicContact CG-CZ3 4.28Å; F392-W412 HydrophobicContact CZ-CZ3 4.24Å; F410-W412 HydrophobicContact CD2-CB 4.43Å; F410-W412 HydrophobicContact CE2-CB 3.86Å; W412-K419 CarbonylContact O-C 3.5Å; W412-K419 VanDerWaalsContact O-CA 3.29Å; W412-K419 WeakPolarHBondContact O-CA 3.33Å; W412-V420 HydrophobicContact CB-CG2 3.92Å; W412-V420 HydrophobicContact CD2-CG2 4.45Å; W412-V420 HydrophobicContact CE3-CG2 3.91Å; W412-V420 PolarHBondContact N-O 2.95Å; W412-V420 PolarHBondContact O-N 3.12Å; W412-T422 VanDerWaalsContact CB-OG1 3.29Å; W412-T422 WeakPolarHBondContact CB-OG1 3.3Å; W412-G512 PolarHBondContact NE1-O 2.58Å; W412-L514 HydrophobicContact CD2-CD1 3.73Å; W412-L514 HydrophobicContact CD2-CG 4.27Å; W412-L514 HydrophobicContact CE3-CD1 3.95Å; W412-L514 HydrophobicContact CG-CD1 4.23Å; W412-L514 HydrophobicContact CH2-CD1 4.13Å; W412-L514 HydrophobicContact CZ2-CD1 3.95Å; W412-L514 HydrophobicContact CZ2-CG 4.09Å; W412-L514 HydrophobicContact CZ3-CD1 4.14Å |
| 413 | E | 98.8 | Very high | 97.7 | Very high | 43 Ų | 43 | 24.7 Ų | 24.7 | 20% | 0.201 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 125.2 | -178.4 | -172.7 | -175.7 | 87.1 | 0 | 0 | 110.4 | S418 K419 T509 W510 T511 G512 | E413-S418 CarbonylContact C-O 3.56Å; E413-S418 VanDerWaalsContact CA-O 3.32Å; E413-S418 WeakPolarHBondContact CA-O 3.44Å; E413-K419 HydrophobicContact CB-CG 4.06Å; E413-K419 HydrophobicContact CG-CG 4.08Å; E413-K419 WeakPolarHBondContact OE2-CE 3.37Å; E413-K419 IonicContact OE2-NZ 2.69Å; E413-K419 PolarHBondContact OE2-NZ 3.15Å; E413-T509 HydrophobicContact CB-CG2 3.6Å; E413-T509 HydrophobicContact CG-CG2 4.45Å; E413-W510 PolarHBondContact N-O 3.07Å; E413-T511 HydrophobicContact CB-CG2 4.46Å; E413-T511 HydrophobicContact CG-CG2 4.39Å; E413-T511 WeakPolarHBondContact O-CA 3.47Å; E413-T511 WeakPolarHBondContact OE1-CG2 3.49Å; E413-T511 PolarHBondContact OE1-OG1 2.87Å; E413-G512 PolarHBondContact O-N 3.1Å |
| 414 | G | 98.3 | Very high | 97.7 | Very high | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.01 | 14% | 0.139 | C | C | . | . | trans | -83.9 | -176.8 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | A378 D416 G417 S418 | A378-G414 WeakPolarHBondContact O-CA 3.44Å; G414-D416 VanDerWaalsContact C-N 3.26Å; G414-D416 PolarHBondContact O-N 3Å; G414-G417 PolarHBondContact O-N 2.88Å; G414-G417 VanDerWaalsContact O-N 3.09Å; G414-S418 PolarHBondContact N-O 3.19Å | ||
| 415 | L | 98 | Very high | 97.8 | Very high | 35 Ų | 35 | 19.6 Ų | 19.6 | 18% | 0.183 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -32.4 | -175.9 | -63.1 | -170.5 | 0 | 0 | 0 | 114.2 | A378 Q379 I819 L824 F1013 | A378-L415 HydrophobicContact CB-CD2 3.68Å; A378-L415 HydrophobicContact CB-CG 3.99Å; A378-L415 PolarHBondContact O-N 2.68Å; Q379-L415 VanDerWaalsContact OE1-CB 3.31Å; Q379-L415 VanDerWaalsContact OE1-CD1 3.31Å; Q379-L415 VanDerWaalsContact OE1-CG 3.28Å; L415-I819 HydrophobicContact CD1-CD1 3.81Å; L415-I819 HydrophobicContact CD1-CG1 4.14Å; L415-I819 HydrophobicContact CG-CD1 4.27Å; L415-L824 HydrophobicContact CD2-CB 4.34Å; L415-F1013 HydrophobicContact CB-CB 3.88Å; L415-F1013 HydrophobicContact CB-CD2 3.57Å; L415-F1013 HydrophobicContact CB-CE2 4.17Å; L415-F1013 HydrophobicContact CB-CG 3.77Å; L415-F1013 HydrophobicContact CD1-CD1 4.04Å; L415-F1013 HydrophobicContact CD1-CD2 4.27Å; L415-F1013 HydrophobicContact CD1-CE1 4.2Å; L415-F1013 HydrophobicContact CD1-CE2 4.4Å; L415-F1013 HydrophobicContact CD1-CG 4.04Å; L415-F1013 HydrophobicContact CD1-CZ 4.35Å |
| 416 | D | 98.1 | Very high | 97.8 | Very high | 32 Ų | 32 | 19 Ų | 19 | 17% | 0.171 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -1.8 | -179.5 | 75.5 | -40.8 | 0 | 0 | 0 | 113.3 | Q382 G414 S418 P1012 F1013 | Q382-D416 VanDerWaalsContact CD-OD2 3.29Å; Q382-D416 VanDerWaalsContact CG-OD2 3.3Å; Q382-D416 WeakPolarHBondContact CG-OD2 3.38Å; Q382-D416 PolarHBondContact NE2-OD2 3.38Å; G414-D416 VanDerWaalsContact C-N 3.26Å; G414-D416 PolarHBondContact O-N 3Å; D416-S418 VanDerWaalsContact CG-OG 3.31Å; D416-S418 WeakPolarHBondContact OD1-CB 3.39Å; D416-S418 PolarHBondContact OD1-N 3.38Å; D416-S418 PolarHBondContact OD1-OG 3.24Å; D416-S418 PolarHBondContact OD2-OG 3.22Å; D416-P1012 WeakPolarHBondContact CA-O 3.27Å; D416-P1012 VanDerWaalsContact CB-O 3.31Å; D416-P1012 WeakPolarHBondContact CB-O 3.46Å; D416-F1013 HydrophobicContact CB-CB 4.37Å |
| 417 | G | 98 | Very high | 97.8 | Very high | 37 Ų | 37 | 17.1 Ų | 17.1 | 38% | 0.381 | 10% | 0.097 | S | C | . | . | S | Bend | trans | 87.9 | 0.3 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G414 K419 | G414-G417 PolarHBondContact O-N 2.88Å; G414-G417 VanDerWaalsContact O-N 3.09Å; G417-K419 PolarHBondContact O-N 2.76Å |
| 418 | S | 98.5 | Very high | 97.7 | Very high | 29 Ų | 29 | 18.9 Ų | 18.9 | 20% | 0.203 | 11% | 0.107 | C | C | . | . | trans | -60.3 | 135.9 | 172.1 | -75.9 | 0 | 0 | 0 | 0 | 110.8 | P381 E413 G414 D416 | P381-S418 WeakPolarHBondContact CB-O 3.33Å; E413-S418 CarbonylContact C-O 3.56Å; E413-S418 VanDerWaalsContact CA-O 3.32Å; E413-S418 WeakPolarHBondContact CA-O 3.44Å; G414-S418 PolarHBondContact N-O 3.19Å; D416-S418 VanDerWaalsContact CG-OG 3.31Å; D416-S418 WeakPolarHBondContact OD1-CB 3.39Å; D416-S418 PolarHBondContact OD1-N 3.38Å; D416-S418 PolarHBondContact OD1-OG 3.24Å; D416-S418 PolarHBondContact OD2-OG 3.22Å | ||
| 419 | K | 98.3 | Very high | 97.5 | Very high | 82 Ų | 82 | 20 Ų | 20 | 36% | 0.357 | 12% | 0.116 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 141.9 | -178.1 | -65.5 | -174.9 | -174.9 | -157.9 | 0 | 112.7 | Q385 F411 W412 E413 G417 T509 | Q385-K419 PolarHBondContact NE2-O 3.16Å; F411-K419 HydrophobicContact CB-CD 4.23Å; F411-K419 HydrophobicContact CD1-CB 4.28Å; F411-K419 HydrophobicContact CG-CD 4.5Å; W412-K419 CarbonylContact O-C 3.5Å; W412-K419 VanDerWaalsContact O-CA 3.29Å; W412-K419 WeakPolarHBondContact O-CA 3.33Å; E413-K419 HydrophobicContact CB-CG 4.06Å; E413-K419 HydrophobicContact CG-CG 4.08Å; E413-K419 WeakPolarHBondContact OE2-CE 3.37Å; E413-K419 IonicContact OE2-NZ 2.69Å; E413-K419 PolarHBondContact OE2-NZ 3.15Å; G417-K419 PolarHBondContact O-N 2.76Å; K419-T509 PolarHBondContact NZ-OG1 2.67Å |
| 420 | V | 98.5 | Very high | 97.3 | Very high | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 146.8 | 165.8 | -63.6 | 0 | 0 | 0 | 0 | 110.3 | P381 M384 Q385 S390 F392 F411 W412 T422 | P381-V420 HydrophobicContact CB-CG1 4.44Å; P381-V420 HydrophobicContact CB-CG2 4.35Å; P381-V420 HydrophobicContact CG-CG2 4.44Å; M384-V420 HydrophobicContact CB-CG1 4.01Å; M384-V420 HydrophobicContact CE-CB 4.3Å; M384-V420 HydrophobicContact CE-CG1 3.99Å; M384-V420 HydrophobicContact CE-CG2 3.58Å; M384-V420 HydrophobicContact SD-CG1 4.33Å; M384-V420 HydrophobicContact SD-CG2 4.47Å; Q385-V420 HydrophobicContact CG-CG1 4.17Å; S390-V420 WeakPolarHBondContact O-CA 3.48Å; S390-V420 WeakPolarHBondContact O-CB 3.23Å; F392-V420 HydrophobicContact CB-CG2 4.19Å; F411-V420 WeakPolarHBondContact CA-O 3.36Å; W412-V420 HydrophobicContact CB-CG2 3.92Å; W412-V420 HydrophobicContact CD2-CG2 4.45Å; W412-V420 HydrophobicContact CE3-CG2 3.91Å; W412-V420 PolarHBondContact N-O 2.95Å; W412-V420 PolarHBondContact O-N 3.12Å; V420-T422 PolarHBondContact O-N 3.12Å |
| 421 | L | 98.8 | Very high | 97.1 | Very high | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 115.4 | 174.5 | 178 | 58 | 0 | 0 | 0 | 109.1 | S390 N391 F392 T409 F411 F497 L500 Q501 L507 | S390-L421 PolarHBondContact O-N 2.68Å; N391-L421 CarbonylContact C-O 3.57Å; N391-L421 VanDerWaalsContact CA-O 3.28Å; N391-L421 WeakPolarHBondContact CA-O 3.19Å; F392-L421 PolarHBondContact N-O 3.03Å; T409-L421 HydrophobicContact CG2-CD1 4.25Å; F411-L421 HydrophobicContact CD1-CB 4.47Å; F411-L421 HydrophobicContact CE1-CB 4.13Å; F411-L421 HydrophobicContact CE1-CD1 4.28Å; F411-L421 HydrophobicContact CZ-CD1 4.49Å; L421-F497 HydrophobicContact CD2-CD1 3.92Å; L421-F497 HydrophobicContact CG-CD1 4Å; L421-F497 HydrophobicContact CG-CE1 4.32Å; L421-F497 WeakPolarHBondContact O-CE1 3.44Å; L421-L500 HydrophobicContact CD2-CB 4.01Å; L421-Q501 HydrophobicContact CD2-CB 4.1Å; L421-L507 HydrophobicContact CD1-CD1 3.44Å; L421-L507 VanDerWaalsContact CD1-CD1 3.44Å |
| 422 | T | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 137 | -173 | -59.4 | 0 | 0 | 0 | 0 | 111.5 | F392 T409 F410 W412 V420 F424 | F392-T422 HydrophobicContact CB-CG2 4.35Å; F392-T422 HydrophobicContact CD1-CG2 3.56Å; F392-T422 HydrophobicContact CE1-CG2 4.32Å; F392-T422 HydrophobicContact CG-CG2 4.34Å; F392-T422 CarbonylContact O-C 3.45Å; F392-T422 VanDerWaalsContact O-CA 3.31Å; F392-T422 WeakPolarHBondContact O-CA 3.48Å; T409-T422 WeakPolarHBondContact CA-O 3.48Å; F410-T422 HydrophobicContact CD1-CG2 4.44Å; F410-T422 HydrophobicContact CE1-CG2 3.62Å; F410-T422 HydrophobicContact CE2-CG2 4.2Å; F410-T422 HydrophobicContact CZ-CG2 3.47Å; F410-T422 VanDerWaalsContact CZ-CG2 3.47Å; F410-T422 PolarHBondContact N-O 2.93Å; F410-T422 PolarHBondContact O-N 3.28Å; W412-T422 VanDerWaalsContact CB-OG1 3.29Å; W412-T422 WeakPolarHBondContact CB-OG1 3.3Å; V420-T422 PolarHBondContact O-N 3.12Å; T422-F424 HydrophobicContact CG2-CD1 3.95Å; T422-F424 HydrophobicContact CG2-CE1 3.31Å; T422-F424 HydrophobicContact CG2-CZ 4.05Å |
| 423 | H | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 130.3 | 174.6 | -173.5 | 69.8 | 0 | 0 | 0 | 112.6 | F392 L393 T394 N408 T409 A456 F497 L500 | F392-H423 PolarHBondContact O-N 3.38Å; L393-H423 WeakPolarHBondContact CA-O 3.45Å; T394-H423 PolarHBondContact N-O 2.78Å; N408-H423 CarbonylContact O-C 3.55Å; N408-H423 VanDerWaalsContact O-CA 3.23Å; N408-H423 WeakPolarHBondContact O-CA 3.37Å; N408-H423 PolarHBondContact O-ND1 2.79Å; T409-H423 PolarHBondContact OG1-ND1 3.32Å; H423-A456 PolarHBondContact NE2-N 2.89Å; H423-F497 HydrophobicContact CB-CE1 4.03Å; H423-F497 HydrophobicContact CB-CZ 4.17Å; H423-L500 HydrophobicContact CB-CD1 3.86Å |
| 424 | F | 95.8 | Very high | 96.7 | Very high | 9 Ų | 9 | 22.2 Ų | 22.2 | 4% | 0.039 | 13% | 0.126 | C | C | . | . | trans | -108.7 | 117.3 | 171.8 | -54.4 | -19 | 0 | 0 | 0 | 109.6 | T394 L397 F405 N408 F410 T422 P426 L514 | T394-F424 HydrophobicContact CG2-CD1 3.45Å; T394-F424 VanDerWaalsContact CG2-CD1 3.45Å; T394-F424 HydrophobicContact CG2-CE1 3.11Å; T394-F424 HydrophobicContact CG2-CZ 3.99Å; T394-F424 WeakPolarHBondContact O-CA 3.32Å; T394-F424 WeakPolarHBondContact O-CD1 3.44Å; L397-F424 HydrophobicContact CB-CE2 4.14Å; L397-F424 HydrophobicContact CD1-CE1 4.4Å; L397-F424 HydrophobicContact CD1-CE2 3.62Å; L397-F424 HydrophobicContact CD1-CZ 3.41Å; L397-F424 VanDerWaalsContact CD1-CZ 3.41Å; L397-F424 HydrophobicContact CG-CE2 4.48Å; L397-F424 HydrophobicContact CG-CZ 4.43Å; F405-F424 HydrophobicContact CD1-CD2 4.11Å; F405-F424 AromaticContact CD1-CE2 3.5Å; F405-F424 HydrophobicContact CD1-CE2 3.5Å; F405-F424 VanDerWaalsContact CD1-CE2 3.5Å; F405-F424 AromaticContact CE1-CE2 3.68Å; F405-F424 HydrophobicContact CE1-CE2 3.68Å; F405-F424 HydrophobicContact CE1-CZ 4.32Å; F405-F424 AromaticContact CG-CE2 3.99Å; F405-F424 HydrophobicContact CG-CE2 3.99Å; F405-F424 HydrophobicContact CZ-CE2 4.33Å; N408-F424 PolarHBondContact ND2-O 3.36Å; N408-F424 PolarHBondContact O-N 3.21Å; F410-F424 HydrophobicContact CE1-CD1 4.43Å; F410-F424 HydrophobicContact CE1-CD2 4.18Å; F410-F424 AromaticContact CE1-CE1 3.85Å; F410-F424 HydrophobicContact CE1-CE1 3.85Å; F410-F424 AromaticContact CE1-CE2 3.62Å; F410-F424 HydrophobicContact CE1-CE2 3.62Å; F410-F424 AromaticContact CE1-CZ 3.44Å; F410-F424 HydrophobicContact CE1-CZ 3.44Å; F410-F424 VanDerWaalsContact CE1-CZ 3.44Å; F410-F424 AromaticContact CZ-CE1 3.96Å; F410-F424 HydrophobicContact CZ-CE1 3.96Å; F410-F424 AromaticContact CZ-CE2 3.95Å; F410-F424 HydrophobicContact CZ-CE2 3.95Å; F410-F424 AromaticContact CZ-CZ 3.41Å; F410-F424 HydrophobicContact CZ-CZ 3.41Å; F410-F424 VanDerWaalsContact CZ-CZ 3.41Å; T422-F424 HydrophobicContact CG2-CD1 3.95Å; T422-F424 HydrophobicContact CG2-CE1 3.31Å; T422-F424 HydrophobicContact CG2-CZ 4.05Å; F424-P426 WeakPolarHBondContact O-CD 3.23Å; F424-L514 HydrophobicContact CZ-CD1 4.26Å | ||
| 425 | P | 96.8 | Very high | 96.6 | Very high | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | trans | -53.3 | 113.4 | 176.9 | -25.7 | 34.2 | 0 | 0 | 0 | 111.2 | L393 T394 G427 N428 M432 A456 L458 | L393-P425 HydrophobicContact CD1-CG 4.22Å; L393-P425 HydrophobicContact CD2-CG 4.18Å; L393-P425 HydrophobicContact CG-CG 4.32Å; T394-P425 VanDerWaalsContact O-CD 3.24Å; T394-P425 WeakPolarHBondContact O-CD 3.24Å; P425-G427 PolarHBondContact O-N 3.05Å; P425-G427 VanDerWaalsContact O-N 3.11Å; P425-N428 PolarHBondContact O-N 2.98Å; P425-N428 VanDerWaalsContact O-N 3.13Å; P425-M432 HydrophobicContact CB-CE 4.47Å; P425-A456 HydrophobicContact CB-CB 4.31Å; P425-A456 HydrophobicContact CG-CB 4.09Å; P425-L458 HydrophobicContact CG-CD1 4.36Å; P425-L458 HydrophobicContact CG-CG 4.38Å | ||
| 426 | P | 96.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -13.8 | -171.2 | -18.3 | 27.9 | 0 | 0 | 0 | 114.9 | N408 F424 N428 T442 N445 N446 S455 | N408-P426 HydrophobicContact CB-CG 4.01Å; F424-P426 WeakPolarHBondContact O-CD 3.23Å; P426-N428 PolarHBondContact O-N 2.86Å; P426-N428 VanDerWaalsContact O-N 3.12Å; P426-N428 PolarHBondContact O-OD1 3.36Å; P426-T442 HydrophobicContact CB-CG2 4.43Å; P426-T442 VanDerWaalsContact CB-O 3.28Å; P426-T442 WeakPolarHBondContact CB-O 3.4Å; P426-T442 HydrophobicContact CG-CG2 4.33Å; P426-N445 HydrophobicContact CB-CB 4.15Å; P426-N445 WeakPolarHBondContact O-CB 3.3Å; P426-N445 PolarHBondContact O-ND2 3.14Å; P426-N446 HydrophobicContact CB-CB 4.21Å; P426-N446 HydrophobicContact CG-CB 4.06Å; P426-S455 WeakPolarHBondContact CG-OG 3.37Å |
| 427 | G | 94.6 | Very high | 96.5 | Very high | 12 Ų | 12 | 25.8 Ų | 25.8 | 12% | 0.124 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -2.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | P425 S429 M432 | P425-G427 PolarHBondContact O-N 3.05Å; P425-G427 VanDerWaalsContact O-N 3.11Å; G427-S429 PolarHBondContact O-N 3.03Å; G427-M432 VanDerWaalsContact CA-CE 3.47Å |
| 428 | N | 93.8 | Very high | 96.4 | Very high | 64 Ų | 64 | 25.3 Ų | 25.3 | 34% | 0.342 | 13% | 0.128 | S | C | . | . | S | Bend | trans | 58.6 | 26.1 | 176.5 | -59.4 | -18.2 | 0 | 0 | 0 | 114 | Q395 S398 P425 P426 N445 | Q395-N428 PolarHBondContact NE2-O 3.2Å; S398-N428 WeakPolarHBondContact CB-OD1 3.45Å; P425-N428 PolarHBondContact O-N 2.98Å; P425-N428 VanDerWaalsContact O-N 3.13Å; P426-N428 PolarHBondContact O-N 2.86Å; P426-N428 VanDerWaalsContact O-N 3.12Å; P426-N428 PolarHBondContact O-OD1 3.36Å; N428-N445 PolarHBondContact ND2-ND2 3.04Å |
| 429 | S | 94.1 | Very high | 96.3 | Very high | 33 Ų | 33 | 24 Ų | 24 | 23% | 0.231 | 12% | 0.119 | C | C | . | . | trans | -152.4 | 146.9 | 178.4 | 177.6 | 0 | 0 | 0 | 0 | 109 | G427 E431 M432 | G427-S429 PolarHBondContact O-N 3.03Å; S429-E431 PolarHBondContact OG-N 3.11Å; S429-M432 WeakPolarHBondContact O-CE 3.48Å | ||
| 430 | Y | 94.2 | Very high | 96.2 | Very high | 8 Ų | 8 | 21.5 Ų | 21.5 | 3% | 0.031 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -102.6 | 10 | 167.1 | 53.1 | -97.2 | 0 | 0 | 0 | 112.4 | H260 P371 D372 Q395 L458 D463 | H260-Y430 HydrophobicContact CB-CD2 3.95Å; H260-Y430 HydrophobicContact CB-CE2 3.83Å; H260-Y430 AromaticContact CD2-CE2 3.68Å; H260-Y430 AromaticContact CD2-CZ 4Å; H260-Y430 AromaticContact CG-CE2 3.96Å; P371-Y430 HydrophobicContact CB-CD1 3.76Å; P371-Y430 HydrophobicContact CB-CE1 4.4Å; P371-Y430 HydrophobicContact CB-CG 4.04Å; D372-Y430 HydrophobicContact CB-CE1 4.26Å; D372-Y430 VanDerWaalsContact OD1-CE1 3.31Å; D372-Y430 WeakPolarHBondContact OD1-CE1 3.41Å; D372-Y430 PolarHBondContact OD1-OH 3.47Å; Q395-Y430 HydrophobicContact CB-CD1 3.96Å; Q395-Y430 HydrophobicContact CG-CD1 3.91Å; Y430-L458 CarbonylContact C-O 3.6Å; Y430-D463 WeakPolarHBondContact CE2-OD1 3.21Å; Y430-D463 VanDerWaalsContact CZ-OD1 3.25Å; Y430-D463 PolarHBondContact OH-OD1 3.25Å |
| 431 | E | 94.6 | Very high | 96.1 | Very high | 55 Ų | 55 | 25 Ų | 25 | 26% | 0.257 | 13% | 0.126 | S | C | . | . | trans | -121 | 34.2 | -176.8 | -53.4 | -165.9 | 119.1 | 0 | 0 | 112.5 | S429 G460 G462 | S429-E431 PolarHBondContact OG-N 3.11Å; E431-G460 CarbonylContact C-O 3.51Å; E431-G460 WeakPolarHBondContact CA-O 3.49Å; E431-G462 WeakPolarHBondContact OE1-CA 3.44Å; E431-G462 PolarHBondContact OE1-N 3.27Å | ||
| 432 | M | 95.8 | Very high | 96 | Very high | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.02 | 13% | 0.125 | C | C | . | . | B | Isolated β-bridge | trans | -62.6 | 150.4 | -176.7 | -58.1 | -176.8 | -164.1 | 0 | 0 | 110.9 | P425 G427 S429 D438 A457 L458 F459 G460 | P425-M432 HydrophobicContact CB-CE 4.47Å; G427-M432 VanDerWaalsContact CA-CE 3.47Å; S429-M432 WeakPolarHBondContact O-CE 3.48Å; M432-D438 HydrophobicContact CB-CB 4.11Å; M432-D438 HydrophobicContact CG-CB 4.26Å; M432-D438 HydrophobicContact SD-CB 4.13Å; M432-A457 HydrophobicContact CE-CB 4.49Å; M432-A457 HydrophobicContact SD-CB 3.75Å; M432-L458 VanDerWaalsContact CB-O 3.23Å; M432-L458 WeakPolarHBondContact CB-O 3.17Å; M432-L458 VanDerWaalsContact CG-O 3.31Å; M432-L458 WeakPolarHBondContact CG-O 3.4Å; M432-L458 PolarHBondContact N-O 3.13Å; M432-F459 HydrophobicContact CB-CB 4.25Å; M432-F459 CarbonylContact O-C 3.49Å; M432-F459 WeakPolarHBondContact O-CA 3.23Å; M432-F459 WeakPolarHBondContact O-CB 3.21Å; M432-G460 PolarHBondContact O-N 3.12Å |
| 433 | K | 95.6 | Very high | 95.8 | Very high | 60 Ų | 60 | 26.9 Ų | 26.9 | 26% | 0.261 | 14% | 0.137 | S | C | . | . | trans | -105.8 | 8.8 | -178.1 | -61 | -167.4 | 172.1 | -169.5 | 0 | 113.1 | E124 K435 D438 M472 R475 | E124-K433 IonicContact OE1-NZ 3.51Å; E124-K433 PolarHBondContact OE1-NZ 3.48Å; K433-K435 HydrophobicContact CB-CG 4.24Å; K433-K435 PolarHBondContact O-N 2.74Å; K433-D438 PolarHBondContact N-OD2 2.86Å; K433-M472 HydrophobicContact CB-CE 4.25Å; K433-M472 HydrophobicContact CG-CE 4.02Å; K433-R475 PolarHBondContact O-NH1 2.87Å | ||
| 434 | G | 95.5 | Very high | 95.6 | Very high | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.021 | 17% | 0.168 | C | C | . | . | trans | 66.6 | 24.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | D438 R475 | G434-D438 PolarHBondContact N-OD2 3.01Å; G434-D438 VanDerWaalsContact N-OD2 3.07Å; G434-R475 WeakPolarHBondContact O-CB 3.38Å | ||
| 435 | K | 96.4 | Very high | 95.6 | Very high | 72 Ų | 72 | 35.6 Ų | 35.6 | 31% | 0.313 | 18% | 0.177 | S | C | . | . | trans | -76.7 | 161.3 | 175.3 | -67.8 | -173.7 | 177.1 | -173.2 | 0 | 110.5 | K433 E437 D438 L439 | K433-K435 HydrophobicContact CB-CG 4.24Å; K433-K435 PolarHBondContact O-N 2.74Å; K435-E437 PolarHBondContact O-N 2.66Å; K435-D438 PolarHBondContact N-OD2 3.19Å; K435-D438 WeakPolarHBondContact O-CB 3.35Å; K435-D438 PolarHBondContact O-N 2.81Å; K435-D438 VanDerWaalsContact O-N 3.15Å; K435-L439 PolarHBondContact O-N 3.28Å | ||
| 436 | I | 97 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.8 | -38 | 175.8 | -55.6 | -68.4 | 0 | 0 | 0 | 110.9 | M194 D197 I198 E201 D438 L439 V440 V479 L485 | M194-I436 HydrophobicContact CE-CD1 3.42Å; M194-I436 VanDerWaalsContact CE-CD1 3.42Å; M194-I436 HydrophobicContact CE-CG1 3.97Å; M194-I436 HydrophobicContact SD-CD1 4.18Å; M194-I436 HydrophobicContact SD-CG1 4.08Å; D197-I436 HydrophobicContact CB-CB 3.78Å; D197-I436 HydrophobicContact CB-CG1 3.65Å; I198-I436 HydrophobicContact CD1-CD1 4.14Å; I198-I436 HydrophobicContact CG1-CD1 3.7Å; I198-I436 HydrophobicContact CG1-CG1 3.83Å; I198-I436 HydrophobicContact CG1-CG2 4.04Å; E201-I436 HydrophobicContact CB-CG2 4.02Å; E201-I436 HydrophobicContact CG-CB 4.43Å; E201-I436 HydrophobicContact CG-CG2 4.08Å; I436-D438 VanDerWaalsContact C-N 3.32Å; I436-D438 PolarHBondContact O-N 2.8Å; I436-L439 PolarHBondContact O-N 3.11Å; I436-V440 HydrophobicContact CG2-CG2 3.88Å; I436-V440 WeakPolarHBondContact O-CB 3.36Å; I436-V440 WeakPolarHBondContact O-CG2 3.29Å; I436-V440 PolarHBondContact O-N 3.37Å; I436-V479 HydrophobicContact CD1-CG1 3.92Å; I436-L485 HydrophobicContact CD1-CD1 3.65Å; I436-L485 HydrophobicContact CG2-CD2 3.82Å |
| 437 | E | 96.5 | Very high | 95.5 | Very high | 70 Ų | 70 | 40.7 Ų | 40.7 | 33% | 0.327 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -56 | -44.6 | 175.9 | -176.7 | -179.7 | -173.7 | 0 | 0 | 111.8 | E201 K435 L439 V440 K441 | E201-E437 HydrophobicContact CG-CB 4.14Å; K435-E437 PolarHBondContact O-N 2.66Å; E437-L439 VanDerWaalsContact C-N 3.32Å; E437-L439 PolarHBondContact O-N 2.7Å; E437-V440 PolarHBondContact O-N 3.36Å; E437-K441 VanDerWaalsContact CD-NZ 3.35Å; E437-K441 HydrophobicContact CG-CD 3.98Å; E437-K441 VanDerWaalsContact CG-CE 3.47Å; E437-K441 HydrophobicContact CG-CG 4.41Å; E437-K441 VanDerWaalsContact O-CB 3.22Å; E437-K441 WeakPolarHBondContact O-CB 3.2Å; E437-K441 VanDerWaalsContact O-CG 3.23Å; E437-K441 WeakPolarHBondContact O-CG 3.35Å; E437-K441 PolarHBondContact O-N 3.27Å; E437-K441 WeakPolarHBondContact OE1-CE 3.41Å; E437-K441 IonicContact OE1-NZ 2.81Å; E437-K441 PolarHBondContact OE1-NZ 3Å |
| 438 | D | 96.7 | Very high | 95.6 | Very high | 27 Ų | 27 | 40.1 Ų | 40.1 | 14% | 0.144 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60 | -44.6 | 178.9 | -59.3 | -32.2 | 0 | 0 | 0 | 111.1 | M432 K433 G434 K435 I436 T442 | M432-D438 HydrophobicContact CB-CB 4.11Å; M432-D438 HydrophobicContact CG-CB 4.26Å; M432-D438 HydrophobicContact SD-CB 4.13Å; K433-D438 PolarHBondContact N-OD2 2.86Å; G434-D438 PolarHBondContact N-OD2 3.01Å; G434-D438 VanDerWaalsContact N-OD2 3.07Å; K435-D438 PolarHBondContact N-OD2 3.19Å; K435-D438 WeakPolarHBondContact O-CB 3.35Å; K435-D438 PolarHBondContact O-N 2.81Å; K435-D438 VanDerWaalsContact O-N 3.15Å; I436-D438 VanDerWaalsContact C-N 3.32Å; I436-D438 PolarHBondContact O-N 2.8Å; D438-T442 WeakPolarHBondContact O-CB 3.33Å; D438-T442 PolarHBondContact O-N 2.93Å; D438-T442 PolarHBondContact O-OG1 2.93Å |
| 439 | L | 96.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -71.2 | -45.1 | -177.6 | -60.1 | 177.4 | 0 | 0 | 0 | 111.9 | V253 K435 I436 E437 T442 V443 L476 V479 P486 V488 | V253-L439 HydrophobicContact CG1-CD2 4.12Å; K435-L439 PolarHBondContact O-N 3.28Å; I436-L439 PolarHBondContact O-N 3.11Å; E437-L439 VanDerWaalsContact C-N 3.32Å; E437-L439 PolarHBondContact O-N 2.7Å; L439-T442 WeakPolarHBondContact O-CB 3.23Å; L439-T442 PolarHBondContact O-N 2.97Å; L439-V443 PolarHBondContact O-N 3.19Å; L439-L476 HydrophobicContact CD2-CD2 4.28Å; L439-V479 HydrophobicContact CD1-CG2 3.5Å; L439-P486 HydrophobicContact CB-CG 3.86Å; L439-V488 HydrophobicContact CD1-CG2 3.74Å; L439-V488 HydrophobicContact CD2-CG2 3.77Å; L439-V488 HydrophobicContact CG-CG2 4.37Å |
| 440 | V | 95.6 | Very high | 95.3 | Very high | 30 Ų | 30 | 45.3 Ų | 45.3 | 18% | 0.182 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.3 | -42.4 | 177.5 | 171.5 | 0 | 0 | 0 | 0 | 110.5 | E201 L202 I436 E437 T442 V443 K444 L485 | E201-V440 HydrophobicContact CB-CG2 4.25Å; L202-V440 HydrophobicContact CD2-CG2 4.49Å; I436-V440 HydrophobicContact CG2-CG2 3.88Å; I436-V440 WeakPolarHBondContact O-CB 3.36Å; I436-V440 WeakPolarHBondContact O-CG2 3.29Å; I436-V440 PolarHBondContact O-N 3.37Å; E437-V440 PolarHBondContact O-N 3.36Å; V440-T442 VanDerWaalsContact C-N 3.33Å; V440-T442 PolarHBondContact O-N 2.96Å; V440-V443 PolarHBondContact O-N 2.88Å; V440-K444 VanDerWaalsContact O-CB 3.3Å; V440-K444 WeakPolarHBondContact O-CB 3.26Å; V440-K444 PolarHBondContact O-N 3Å; V440-L485 HydrophobicContact CG2-CD2 4.13Å |
| 441 | K | 95.9 | Very high | 95.3 | Very high | 75 Ų | 75 | 49.3 Ų | 49.3 | 33% | 0.326 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -59.8 | -43.2 | 173.6 | -78.4 | 177.3 | -178 | 171.1 | 0 | 111.8 | E437 V443 K444 N445 | E437-K441 VanDerWaalsContact CD-NZ 3.35Å; E437-K441 HydrophobicContact CG-CD 3.98Å; E437-K441 VanDerWaalsContact CG-CE 3.47Å; E437-K441 HydrophobicContact CG-CG 4.41Å; E437-K441 VanDerWaalsContact O-CB 3.22Å; E437-K441 WeakPolarHBondContact O-CB 3.2Å; E437-K441 VanDerWaalsContact O-CG 3.23Å; E437-K441 WeakPolarHBondContact O-CG 3.35Å; E437-K441 PolarHBondContact O-N 3.27Å; E437-K441 WeakPolarHBondContact OE1-CE 3.41Å; E437-K441 IonicContact OE1-NZ 2.81Å; E437-K441 PolarHBondContact OE1-NZ 3Å; K441-V443 VanDerWaalsContact C-N 3.28Å; K441-V443 PolarHBondContact O-N 3.17Å; K441-K444 PolarHBondContact O-N 2.93Å; K441-K444 VanDerWaalsContact O-N 3.15Å; K441-N445 VanDerWaalsContact O-CB 3.23Å; K441-N445 WeakPolarHBondContact O-CB 3.3Å; K441-N445 PolarHBondContact O-N 2.82Å |
| 442 | T | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -55.3 | -44.4 | 177.1 | -62.3 | 0 | 0 | 0 | 0 | 111.5 | V253 P426 D438 L439 V440 N446 | V253-T442 HydrophobicContact CG2-CG2 3.95Å; P426-T442 HydrophobicContact CB-CG2 4.43Å; P426-T442 VanDerWaalsContact CB-O 3.28Å; P426-T442 WeakPolarHBondContact CB-O 3.4Å; P426-T442 HydrophobicContact CG-CG2 4.33Å; D438-T442 WeakPolarHBondContact O-CB 3.33Å; D438-T442 PolarHBondContact O-N 2.93Å; D438-T442 PolarHBondContact O-OG1 2.93Å; L439-T442 WeakPolarHBondContact O-CB 3.23Å; L439-T442 PolarHBondContact O-N 2.97Å; V440-T442 VanDerWaalsContact C-N 3.33Å; V440-T442 PolarHBondContact O-N 2.96Å; T442-N446 PolarHBondContact O-N 3.06Å |
| 443 | V | 95.2 | Very high | 95.2 | Very high | 40 Ų | 40 | 49.6 Ų | 49.6 | 24% | 0.242 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -70.5 | -46.1 | 175.2 | -177.4 | 0 | 0 | 0 | 0 | 111.5 | H251 L439 V440 K441 N445 K449 P486 | H251-V443 HydrophobicContact CB-CG1 4.39Å; H251-V443 HydrophobicContact CB-CG2 4.08Å; L439-V443 PolarHBondContact O-N 3.19Å; V440-V443 PolarHBondContact O-N 2.88Å; K441-V443 VanDerWaalsContact C-N 3.28Å; K441-V443 PolarHBondContact O-N 3.17Å; V443-N445 VanDerWaalsContact C-N 3.34Å; V443-N445 PolarHBondContact O-N 2.7Å; V443-K449 WeakPolarHBondContact O-CE 3.43Å; V443-K449 PolarHBondContact O-NZ 3.46Å; V443-P486 HydrophobicContact CG2-CB 3.6Å; V443-P486 HydrophobicContact CG2-CG 3.71Å |
| 444 | K | 94.2 | Very high | 95.2 | Very high | 151 Ų | 151 | 48.3 Ų | 48.3 | 66% | 0.657 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.2 | -42.5 | -174.6 | -174.8 | 177.5 | 178 | -179.6 | 0 | 111.9 | V440 K441 K449 | V440-K444 VanDerWaalsContact O-CB 3.3Å; V440-K444 WeakPolarHBondContact O-CB 3.26Å; V440-K444 PolarHBondContact O-N 3Å; K441-K444 PolarHBondContact O-N 2.93Å; K441-K444 VanDerWaalsContact O-N 3.15Å; K444-K449 PolarHBondContact O-NZ 2.84Å |
| 445 | N | 95.8 | Very high | 95.3 | Very high | 41 Ų | 41 | 48.2 Ų | 48.2 | 22% | 0.219 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -83.4 | -19.3 | -173.5 | -69.5 | -10.4 | 0 | 0 | 0 | 113.9 | N408 P426 N428 K441 V443 K447 | N408-N445 PolarHBondContact OD1-O 2.87Å; P426-N445 HydrophobicContact CB-CB 4.15Å; P426-N445 WeakPolarHBondContact O-CB 3.3Å; P426-N445 PolarHBondContact O-ND2 3.14Å; N428-N445 PolarHBondContact ND2-ND2 3.04Å; K441-N445 VanDerWaalsContact O-CB 3.23Å; K441-N445 WeakPolarHBondContact O-CB 3.3Å; K441-N445 PolarHBondContact O-N 2.82Å; V443-N445 VanDerWaalsContact C-N 3.34Å; V443-N445 PolarHBondContact O-N 2.7Å; N445-K447 WeakPolarHBondContact O-CD 3.45Å; N445-K447 PolarHBondContact O-N 3.19Å; N445-K447 VanDerWaalsContact O-N 3.07Å |
| 446 | N | 95.8 | Very high | 95.4 | Very high | 5 Ų | 5 | 44.8 Ų | 44.8 | 3% | 0.027 | 23% | 0.23 | C | C | . | . | trans | -53.4 | 116.8 | 177.2 | -179.2 | 11.7 | 0 | 0 | 0 | 110.7 | N408 P426 T442 D448 K449 | N408-N446 WeakPolarHBondContact OD1-CA 3.48Å; P426-N446 HydrophobicContact CB-CB 4.21Å; P426-N446 HydrophobicContact CG-CB 4.06Å; T442-N446 PolarHBondContact O-N 3.06Å; N446-D448 PolarHBondContact OD1-N 3.4Å; N446-K449 HydrophobicContact CB-CG 4.45Å; N446-K449 VanDerWaalsContact O-CE 3.25Å; N446-K449 WeakPolarHBondContact O-CE 3.36Å; N446-K449 WeakPolarHBondContact O-CG 3.14Å | ||
| 447 | K | 95.8 | Very high | 95.4 | Very high | 103 Ų | 103 | 45 Ų | 45 | 45% | 0.448 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | -15.4 | -178.4 | -58.1 | -58.3 | -179.8 | 177 | 0 | 113.8 | P406 N408 N445 | P406-K447 VanDerWaalsContact O-CB 3.23Å; P406-K447 WeakPolarHBondContact O-CB 3.34Å; N408-K447 WeakPolarHBondContact OD1-CG 3.37Å; N408-K447 PolarHBondContact OD1-N 3Å; N445-K447 WeakPolarHBondContact O-CD 3.45Å; N445-K447 PolarHBondContact O-N 3.19Å; N445-K447 VanDerWaalsContact O-N 3.07Å |
| 448 | D | 95.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 30.3 | -176.3 | -61.4 | -65.5 | 0 | 0 | 0 | 112.9 | H407 N408 T409 N446 G450 R451 T452 | H407-D448 WeakPolarHBondContact CA-OD2 3.22Å; H407-D448 IonicContact CE1-OD1 3.67Å; H407-D448 IonicContact CG-OD1 3.19Å; H407-D448 IonicContact ND1-OD1 2.63Å; H407-D448 PolarHBondContact ND1-OD1 3.21Å; H407-D448 IonicContact ND1-OD2 3.59Å; N408-D448 PolarHBondContact N-OD2 3.27Å; T409-D448 PolarHBondContact N-OD2 3.5Å; N446-D448 PolarHBondContact OD1-N 3.4Å; D448-G450 PolarHBondContact O-N 3.25Å; D448-R451 HydrophobicContact CB-CB 4.44Å; D448-R451 WeakPolarHBondContact O-CB 3.41Å; D448-R451 PolarHBondContact O-N 2.98Å; D448-R451 IonicContact OD1-NH1 3.06Å; D448-R451 PolarHBondContact OD1-NH1 3.43Å; D448-T452 HydrophobicContact CB-CG2 3.72Å; D448-T452 PolarHBondContact O-N 3.37Å; D448-T452 VanDerWaalsContact O-N 3.08Å |
| 449 | K | 92.3 | Very high | 95.5 | Very high | 123 Ų | 123 | 40.5 Ų | 40.5 | 54% | 0.535 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 134.9 | 172.6 | -71 | 171 | -173.2 | 170.6 | 0 | 110.8 | V443 K444 N446 R451 | V443-K449 WeakPolarHBondContact O-CE 3.43Å; V443-K449 PolarHBondContact O-NZ 3.46Å; K444-K449 PolarHBondContact O-NZ 2.84Å; N446-K449 HydrophobicContact CB-CG 4.45Å; N446-K449 VanDerWaalsContact O-CE 3.25Å; N446-K449 WeakPolarHBondContact O-CE 3.36Å; N446-K449 WeakPolarHBondContact O-CG 3.14Å; K449-R451 PolarHBondContact O-N 3.29Å |
| 450 | G | 90.7 | Very high | 95.5 | Very high | 83 Ų | 83 | 40.5 Ų | 40.5 | 86% | 0.856 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.1 | -8.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | D448 | D448-G450 PolarHBondContact O-N 3.25Š|
| 451 | R | 93.2 | Very high | 95.4 | Very high | 93 Ų | 93 | 39.8 Ų | 39.8 | 35% | 0.351 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -46.8 | 169.7 | -61.3 | 172.9 | -179.5 | 139.7 | 1.8 | 111.8 | D448 K449 L506 C508 | D448-R451 HydrophobicContact CB-CB 4.44Å; D448-R451 WeakPolarHBondContact O-CB 3.41Å; D448-R451 PolarHBondContact O-N 2.98Å; D448-R451 IonicContact OD1-NH1 3.06Å; D448-R451 PolarHBondContact OD1-NH1 3.43Å; K449-R451 PolarHBondContact O-N 3.29Å; R451-L506 HydrophobicContact CB-CB 4.18Å; R451-L506 VanDerWaalsContact CD-O 3.31Å; R451-L506 WeakPolarHBondContact CD-O 3.29Å; R451-L506 HydrophobicContact CG-CB 4.44Å; R451-C508 VanDerWaalsContact CZ-SG 3.54Å |
| 452 | T | 93 | Very high | 95 | Very high | 4 Ų | 4 | 36.3 Ų | 36.3 | 3% | 0.025 | 19% | 0.189 | C | C | . | . | trans | -126.8 | 144.1 | 175.2 | 170.3 | 0 | 0 | 0 | 0 | 110.7 | D448 H454 L500 | D448-T452 HydrophobicContact CB-CG2 3.72Å; D448-T452 PolarHBondContact O-N 3.37Å; D448-T452 VanDerWaalsContact O-N 3.08Å; T452-H454 PolarHBondContact OG1-N 3.48Å; T452-H454 PolarHBondContact OG1-O 3Å; T452-L500 WeakPolarHBondContact OG1-CD2 3.49Å | ||
| 453 | N | 94.7 | Very high | 94.4 | Very high | 61 Ų | 61 | 37.6 Ų | 37.6 | 33% | 0.326 | 20% | 0.196 | S | C | . | . | trans | -114.9 | 20.1 | 175.9 | -153 | 29.8 | 0 | 0 | 0 | 113.7 | S249 Q250 H251 T252 | S249-N453 PolarHBondContact O-ND2 3.1Å; Q250-N453 PolarHBondContact O-ND2 3.35Å; H251-N453 VanDerWaalsContact CA-OD1 3.26Å; H251-N453 WeakPolarHBondContact CA-OD1 3.39Å; H251-N453 PolarHBondContact CE1-O 3.42Å; H251-N453 VanDerWaalsContact ND1-C 3.27Å; H251-N453 PolarHBondContact ND1-O 3.39Å; H251-N453 VanDerWaalsContact ND1-O 3.13Å; H251-N453 PolarHBondContact ND1-OD1 3.34Å; T252-N453 PolarHBondContact N-O 3.08Å | ||
| 454 | H | 96.9 | Very high | 93.8 | Very high | 33 Ų | 33 | 35.7 Ų | 35.7 | 15% | 0.153 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 142.7 | -178.5 | -61.9 | -93.7 | 0 | 0 | 0 | 110.8 | H251 T252 H254 T452 L496 Q499 L500 | H251-H454 PolarHBondContact CE1-N 3.09Å; T252-H454 WeakPolarHBondContact O-CA 3.48Å; H254-H454 AromaticContact CD2-ND1 3.87Å; H254-H454 AromaticContact CE1-ND1 4Å; H254-H454 AromaticContact NE2-CG 3.76Å; H254-H454 AromaticContact NE2-ND1 2.97Å; H254-H454 PolarHBondContact NE2-ND1 3.41Å; T452-H454 PolarHBondContact OG1-N 3.48Å; T452-H454 PolarHBondContact OG1-O 3Å; H454-L496 HydrophobicContact CB-CD1 4.48Å; H454-Q499 HydrophobicContact CB-CB 4.36Å; H454-L500 HydrophobicContact CB-CD2 3.91Å |
| 455 | S | 97.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 148.1 | 174.2 | -72.1 | 0 | 0 | 0 | 0 | 112.2 | H251 T252 V253 H254 P426 | H251-S455 WeakPolarHBondContact NE2-CB 3.35Å; H251-S455 PolarHBondContact NE2-OG 2.92Å; T252-S455 PolarHBondContact O-N 3.49Å; V253-S455 CarbonylContact C-O 3.57Å; V253-S455 WeakPolarHBondContact CA-O 3.37Å; H254-S455 PolarHBondContact N-O 2.84Å; P426-S455 WeakPolarHBondContact CG-OG 3.37Å |
| 456 | A | 97.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 146.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | M256 L393 H423 P425 L496 | M256-A456 HydrophobicContact CE-CB 4.03Å; L393-A456 HydrophobicContact CD1-CB 4.29Å; H423-A456 PolarHBondContact NE2-N 2.89Å; P425-A456 HydrophobicContact CB-CB 4.31Å; P425-A456 HydrophobicContact CG-CB 4.09Å; A456-L496 HydrophobicContact CB-CD2 3.66Å |
| 457 | A | 97.6 | Very high | 92.8 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 3% | 0.033 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 117.3 | 159.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | V253 H254 A255 M256 M432 | V253-A457 HydrophobicContact CG1-CB 3.34Å; H254-A457 PolarHBondContact O-N 2.73Å; A255-A457 CarbonylContact C-O 3.57Å; A255-A457 VanDerWaalsContact CA-O 3.27Å; A255-A457 WeakPolarHBondContact CA-O 3.24Å; A255-A457 HydrophobicContact CB-CB 4.44Å; M256-A457 PolarHBondContact N-O 3.31Å; M432-A457 HydrophobicContact CE-CB 4.49Å; M432-A457 HydrophobicContact SD-CB 3.75Å |
| 458 | L | 97.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 123.7 | 176.1 | -51.9 | -176.2 | 0 | 0 | 0 | 107.9 | M256 H258 W369 L393 P425 Y430 M432 | M256-L458 HydrophobicContact CB-CD2 4.05Å; M256-L458 HydrophobicContact CE-CD2 3.93Å; M256-L458 WeakPolarHBondContact O-CA 3.24Å; H258-L458 HydrophobicContact CB-CB 3.99Å; W369-L458 HydrophobicContact CH2-CD1 4.41Å; W369-L458 HydrophobicContact CH2-CD2 3.68Å; W369-L458 HydrophobicContact CZ2-CD1 3.53Å; W369-L458 HydrophobicContact CZ2-CD2 3.43Å; W369-L458 VanDerWaalsContact CZ2-CD2 3.43Å; W369-L458 HydrophobicContact CZ2-CG 4.12Å; L393-L458 HydrophobicContact CD2-CD1 3.93Å; P425-L458 HydrophobicContact CG-CD1 4.36Å; P425-L458 HydrophobicContact CG-CG 4.38Å; Y430-L458 CarbonylContact C-O 3.6Å; M432-L458 VanDerWaalsContact CB-O 3.23Å; M432-L458 WeakPolarHBondContact CB-O 3.17Å; M432-L458 VanDerWaalsContact CG-O 3.31Å; M432-L458 WeakPolarHBondContact CG-O 3.4Å; M432-L458 PolarHBondContact N-O 3.13Å |
| 459 | F | 97.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 1% | 0.013 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 144.4 | -174.7 | 72.6 | -86.9 | 0 | 0 | 0 | 112 | A255 M256 G257 H258 F293 M432 P468 M472 L473 L476 M490 | A255-F459 HydrophobicContact CB-CD1 4.23Å; A255-F459 HydrophobicContact CB-CE1 4.25Å; M256-F459 VanDerWaalsContact C-CD1 3.4Å; M256-F459 WeakPolarHBondContact O-CD1 3.5Å; M256-F459 WeakPolarHBondContact O-CE1 3.17Å; M256-F459 PolarHBondContact O-N 2.84Å; G257-F459 CarbonylContact C-O 3.59Å; G257-F459 WeakPolarHBondContact CA-O 3.38Å; H258-F459 PolarHBondContact N-O 2.88Å; F293-F459 HydrophobicContact CD2-CZ 4.25Å; F293-F459 HydrophobicContact CE2-CE2 4.3Å; F293-F459 AromaticContact CE2-CZ 3.88Å; F293-F459 HydrophobicContact CE2-CZ 3.88Å; M432-F459 HydrophobicContact CB-CB 4.25Å; M432-F459 CarbonylContact O-C 3.49Å; M432-F459 WeakPolarHBondContact O-CA 3.23Å; M432-F459 WeakPolarHBondContact O-CB 3.21Å; F459-P468 HydrophobicContact CD2-CB 4.19Å; F459-P468 HydrophobicContact CD2-CG 4.36Å; F459-P468 HydrophobicContact CE2-CB 3.83Å; F459-P468 HydrophobicContact CE2-CG 4.14Å; F459-M472 HydrophobicContact CD2-CB 3.91Å; F459-M472 HydrophobicContact CD2-SD 4.17Å; F459-M472 HydrophobicContact CE2-CB 4.26Å; F459-L473 HydrophobicContact CE2-CD2 3.69Å; F459-L473 HydrophobicContact CZ-CD2 3.61Å; F459-L476 HydrophobicContact CD1-CD1 3.69Å; F459-L476 HydrophobicContact CD2-CD1 4.06Å; F459-L476 HydrophobicContact CE1-CD1 3.71Å; F459-L476 HydrophobicContact CE2-CD1 4.06Å; F459-L476 HydrophobicContact CG-CD1 3.88Å; F459-L476 HydrophobicContact CZ-CD1 3.9Å; F459-M490 HydrophobicContact CD1-CE 4.47Å; F459-M490 HydrophobicContact CE1-CE 3.49Å; F459-M490 VanDerWaalsContact CE1-CE 3.49Å; F459-M490 HydrophobicContact CE1-SD 3.84Å; F459-M490 HydrophobicContact CZ-CE 3.87Å; F459-M490 HydrophobicContact CZ-SD 3.97Å |
| 460 | G | 96.4 | Very high | 93 | Very high | 1 Ų | 1 | 18.6 Ų | 18.6 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | S | Bend | trans | 136.5 | 164.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E431 M432 | E431-G460 CarbonylContact C-O 3.51Å; E431-G460 WeakPolarHBondContact CA-O 3.49Å; M432-G460 PolarHBondContact O-N 3.12Å |
| 461 | F | 93.5 | Very high | 93.3 | Very high | 16 Ų | 16 | 16.2 Ų | 16.2 | 7% | 0.07 | 8% | 0.08 | C | C | . | . | B | Isolated β-bridge | trans | -77.6 | 131.9 | 168.4 | -65.8 | -85.7 | 0 | 0 | 0 | 109.4 | E122 G123 E124 G465 G467 T469 M472 | E122-F461 VanDerWaalsContact O-CE1 3.24Å; E122-F461 WeakPolarHBondContact O-CE1 3.45Å; G123-F461 VanDerWaalsContact C-CE2 3.44Å; G123-F461 WeakPolarHBondContact O-CD2 3.26Å; G123-F461 WeakPolarHBondContact O-CE2 3.26Å; E124-F461 HydrophobicContact CB-CE2 4.26Å; E124-F461 HydrophobicContact CB-CZ 4Å; E124-F461 HydrophobicContact CG-CZ 3.81Å; F461-G465 CarbonylContact C-O 3.53Å; F461-G465 WeakPolarHBondContact CB-O 3.31Å; F461-G467 PolarHBondContact N-O 2.72Å; F461-G467 VanDerWaalsContact O-CA 3.27Å; F461-G467 WeakPolarHBondContact O-CA 3.31Å; F461-G467 PolarHBondContact O-N 2.61Å; F461-T469 HydrophobicContact CD2-CG2 4.2Å; F461-T469 HydrophobicContact CE2-CG2 3.79Å; F461-M472 HydrophobicContact CD2-CE 3.66Å; F461-M472 HydrophobicContact CE2-CE 3.32Å; F461-M472 HydrophobicContact CG-CE 4.48Å; F461-M472 HydrophobicContact CZ-CE 3.92Å |
| 462 | G | 87.8 | Confident | 93.5 | Very high | 1 Ų | 1 | 11.8 Ų | 11.8 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | trans | -118.7 | -155.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | H260 E431 G464 G465 | H260-G462 CarbonylContact O-C 3.15Å; H260-G462 WeakPolarHBondContact O-CA 3.5Å; E431-G462 WeakPolarHBondContact OE1-CA 3.44Å; E431-G462 PolarHBondContact OE1-N 3.27Å; G462-G464 PolarHBondContact O-N 2.93Å; G462-G465 PolarHBondContact O-N 3.07Å; G462-G465 VanDerWaalsContact O-N 3.08Å | ||
| 463 | D | 84.8 | Confident | 93.7 | Very high | 27 Ų | 27 | 12.5 Ų | 12.5 | 14% | 0.144 | 7% | 0.067 | C | C | . | . | S | Bend | trans | 46.5 | -61.7 | -173 | -48.8 | -15.2 | 0 | 0 | 0 | 114.6 | F154 H260 D262 W265 W267 Y430 | F154-D463 HydrophobicContact CD1-CB 4.37Å; F154-D463 HydrophobicContact CE1-CB 4.04Å; H260-D463 IonicContact CD2-OD1 3.68Å; H260-D463 PolarHBondContact CD2-OD1 3.33Å; H260-D463 PolarHBondContact O-N 2.81Å; H260-D463 VanDerWaalsContact O-N 3.11Å; D262-D463 PolarHBondContact N-O 2.97Å; D262-D463 VanDerWaalsContact OD2-O 3.11Å; W265-D463 HydrophobicContact CE3-CB 4.37Å; W265-D463 HydrophobicContact CZ3-CB 3.86Å; W267-D463 WeakPolarHBondContact CH2-O 3.48Å; W267-D463 VanDerWaalsContact CZ2-O 3.23Å; W267-D463 WeakPolarHBondContact CZ2-O 3.41Å; Y430-D463 WeakPolarHBondContact CE2-OD1 3.21Å; Y430-D463 VanDerWaalsContact CZ-OD1 3.25Å; Y430-D463 PolarHBondContact OH-OD1 3.25Å |
| 464 | G | 82.7 | Confident | 93.8 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.065 | C | C | . | . | B | Isolated β-bridge | trans | -93.6 | -1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116 | L153 K275 G462 | L153-G464 WeakPolarHBondContact O-CA 3.49Å; K275-G464 WeakPolarHBondContact CD-O 3.08Å; K275-G464 PolarHBondContact NZ-O 3.17Å; G462-G464 PolarHBondContact O-N 2.93Å |
| 465 | G | 83.8 | Confident | 93.8 | Very high | 0 Ų | 0 | 11.2 Ų | 11.2 | 0% | 0 | 6% | 0.06 | C | C | . | . | trans | 93 | -149.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | H260 F461 G462 G467 | H260-G465 PolarHBondContact O-N 2.88Å; F461-G465 CarbonylContact C-O 3.53Å; F461-G465 WeakPolarHBondContact CB-O 3.31Å; G462-G465 PolarHBondContact O-N 3.07Å; G462-G465 VanDerWaalsContact O-N 3.08Å; G465-G467 VanDerWaalsContact C-N 3.35Å; G465-G467 PolarHBondContact O-N 2.73Å | ||
| 466 | G | 87.1 | Confident | 93.8 | Very high | 8 Ų | 8 | 11.6 Ų | 11.6 | 8% | 0.082 | 6% | 0.062 | C | C | . | . | trans | 94.6 | -54.2 | -169.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | K125 S279 | K125-G466 PolarHBondContact NZ-O 2.9Å; S279-G466 PolarHBondContact OG-N 3.42Å | ||
| 467 | G | 93.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | B | Isolated β-bridge | trans | 69.2 | -167.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | C259 F461 G465 | C259-G467 PolarHBondContact SG-N 3.5Å; C259-G467 VanDerWaalsContact SG-N 3.43Å; F461-G467 PolarHBondContact N-O 2.72Å; F461-G467 VanDerWaalsContact O-CA 3.27Å; F461-G467 WeakPolarHBondContact O-CA 3.31Å; F461-G467 PolarHBondContact O-N 2.61Å; G465-G467 VanDerWaalsContact C-N 3.35Å; G465-G467 PolarHBondContact O-N 2.73Å |
| 468 | P | 96.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 9% | 0.085 | C | C | . | . | trans | -60.5 | 159.5 | -174.7 | -27.6 | 37.4 | 0 | 0 | 0 | 115.1 | K125 L286 F293 F295 F459 | K125-P468 PolarHBondContact NZ-O 3.04Å; L286-P468 HydrophobicContact CD1-CB 4.29Å; L286-P468 WeakPolarHBondContact CD1-O 3.32Å; F293-P468 HydrophobicContact CE2-CB 4.34Å; F293-P468 HydrophobicContact CE2-CG 4.26Å; F293-P468 HydrophobicContact CZ-CB 4.05Å; F293-P468 HydrophobicContact CZ-CG 3.93Å; F295-P468 HydrophobicContact CD2-CG 4.17Å; F295-P468 HydrophobicContact CE2-CG 4.4Å; F459-P468 HydrophobicContact CD2-CB 4.19Å; F459-P468 HydrophobicContact CD2-CG 4.36Å; F459-P468 HydrophobicContact CE2-CB 3.83Å; F459-P468 HydrophobicContact CE2-CG 4.14Å | ||
| 469 | T | 96 | Very high | 93.5 | Very high | 12 Ų | 12 | 14.7 Ų | 14.7 | 7% | 0.074 | 9% | 0.085 | C | C | . | . | trans | -122.8 | 160 | 173.1 | 71.9 | 0 | 0 | 0 | 0 | 111.1 | K125 F461 L471 M472 L473 | K125-T469 HydrophobicContact CG-CG2 4.41Å; F461-T469 HydrophobicContact CD2-CG2 4.2Å; F461-T469 HydrophobicContact CE2-CG2 3.79Å; T469-L471 PolarHBondContact O-N 2.88Å; T469-L471 PolarHBondContact OG1-N 2.92Å; T469-M472 HydrophobicContact CG2-CE 4.32Å; T469-M472 HydrophobicContact CG2-SD 4.49Å; T469-M472 PolarHBondContact O-N 3.15Å; T469-M472 WeakPolarHBondContact OG1-CG 3.21Å; T469-M472 PolarHBondContact OG1-N 3.04Å; T469-L473 PolarHBondContact O-N 3.48Å | ||
| 470 | Q | 95.6 | Very high | 93.4 | Very high | 44 Ų | 44 | 20.9 Ų | 20.9 | 21% | 0.206 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -58.4 | -37.4 | 172.7 | -173.7 | 62.9 | 51.7 | 0 | 0 | 111.4 | L286 N290 M472 L473 D474 | L286-Q470 HydrophobicContact CD2-CB 3.92Å; N290-Q470 PolarHBondContact ND2-OE1 3.37Å; N290-Q470 PolarHBondContact OD1-NE2 3.49Å; N290-Q470 VanDerWaalsContact OD1-NE2 3.13Å; Q470-M472 VanDerWaalsContact C-N 3.32Å; Q470-M472 PolarHBondContact O-N 3.07Å; Q470-L473 WeakPolarHBondContact O-CB 3.17Å; Q470-L473 PolarHBondContact O-N 2.53Å; Q470-L473 VanDerWaalsContact O-N 3.12Å; Q470-D474 PolarHBondContact NE2-OD1 3.43Å; Q470-D474 PolarHBondContact O-N 3.32Å |
| 471 | L | 95.7 | Very high | 93.4 | Very high | 33 Ų | 33 | 22.9 Ų | 22.9 | 17% | 0.173 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -59.7 | -40.4 | 177.8 | 177.8 | 57.1 | 0 | 0 | 0 | 112.5 | T190 T469 D474 R475 | T190-L471 HydrophobicContact CG2-CD1 3.92Å; T190-L471 WeakPolarHBondContact OG1-CD1 3.48Å; T469-L471 PolarHBondContact O-N 2.88Å; T469-L471 PolarHBondContact OG1-N 2.92Å; L471-D474 PolarHBondContact O-N 3.27Å; L471-R475 HydrophobicContact CD1-CG 4.38Å; L471-R475 VanDerWaalsContact O-CG 3.32Å; L471-R475 WeakPolarHBondContact O-CG 3.22Å; L471-R475 PolarHBondContact O-N 2.77Å |
| 472 | M | 97.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.005 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -64 | -42 | 175.6 | -65.3 | 169.8 | -179 | 0 | 0 | 111.4 | K433 F459 F461 T469 Q470 R475 L476 | K433-M472 HydrophobicContact CB-CE 4.25Å; K433-M472 HydrophobicContact CG-CE 4.02Å; F459-M472 HydrophobicContact CD2-CB 3.91Å; F459-M472 HydrophobicContact CD2-SD 4.17Å; F459-M472 HydrophobicContact CE2-CB 4.26Å; F461-M472 HydrophobicContact CD2-CE 3.66Å; F461-M472 HydrophobicContact CE2-CE 3.32Å; F461-M472 HydrophobicContact CG-CE 4.48Å; F461-M472 HydrophobicContact CZ-CE 3.92Å; T469-M472 HydrophobicContact CG2-CE 4.32Å; T469-M472 HydrophobicContact CG2-SD 4.49Å; T469-M472 PolarHBondContact O-N 3.15Å; T469-M472 WeakPolarHBondContact OG1-CG 3.21Å; T469-M472 PolarHBondContact OG1-N 3.04Å; Q470-M472 VanDerWaalsContact C-N 3.32Å; Q470-M472 PolarHBondContact O-N 3.07Å; M472-R475 PolarHBondContact O-N 2.85Å; M472-L476 VanDerWaalsContact O-CG 3.3Å; M472-L476 WeakPolarHBondContact O-CG 3.16Å; M472-L476 PolarHBondContact O-N 3.05Å |
| 473 | L | 97.5 | Very high | 93.9 | Very high | 19 Ų | 19 | 25.1 Ų | 25.1 | 10% | 0.099 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -63.8 | -42.8 | 176.2 | -62 | 176.9 | 0 | 0 | 0 | 111.7 | L286 N290 F293 F459 T469 Q470 L476 G477 | L286-L473 HydrophobicContact CB-CD1 4.47Å; L286-L473 HydrophobicContact CD2-CD1 4.39Å; N290-L473 HydrophobicContact CB-CD1 4.2Å; F293-L473 HydrophobicContact CB-CD1 4.42Å; F293-L473 HydrophobicContact CD2-CD1 4.3Å; F293-L473 HydrophobicContact CD2-CD2 3.54Å; F293-L473 HydrophobicContact CE2-CD2 3.99Å; F293-L473 HydrophobicContact CG-CD1 4.17Å; F293-L473 HydrophobicContact CG-CD2 4.16Å; F459-L473 HydrophobicContact CE2-CD2 3.69Å; F459-L473 HydrophobicContact CZ-CD2 3.61Å; T469-L473 PolarHBondContact O-N 3.48Å; Q470-L473 WeakPolarHBondContact O-CB 3.17Å; Q470-L473 PolarHBondContact O-N 2.53Å; Q470-L473 VanDerWaalsContact O-N 3.12Å; L473-L476 PolarHBondContact O-N 3.44Å; L473-G477 PolarHBondContact O-N 2.97Å |
| 474 | D | 96.6 | Very high | 94.2 | Very high | 54 Ų | 54 | 25.3 Ų | 25.3 | 29% | 0.289 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -62 | -44.6 | 178.2 | -64.5 | -15.5 | 0 | 0 | 0 | 110.7 | T190 Q470 L471 G477 L478 | T190-D474 HydrophobicContact CG2-CB 4.39Å; Q470-D474 PolarHBondContact NE2-OD1 3.43Å; Q470-D474 PolarHBondContact O-N 3.32Å; L471-D474 PolarHBondContact O-N 3.27Å; D474-G477 PolarHBondContact O-N 2.88Å; D474-L478 WeakPolarHBondContact O-CG 3.42Å; D474-L478 PolarHBondContact O-N 2.71Å; D474-L478 VanDerWaalsContact O-N 3.09Å |
| 475 | R | 97.4 | Very high | 94.8 | Very high | 13 Ų | 13 | 25.4 Ų | 25.4 | 5% | 0.049 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.3 | -53.5 | 175.2 | -73.9 | 177.1 | 177.1 | 144.7 | 2.8 | 112 | T190 E193 M194 K433 G434 L471 M472 G477 L478 | T190-R475 HydrophobicContact CG2-CG 3.72Å; E193-R475 IonicContact OE2-CZ 3.98Å; E193-R475 IonicContact OE2-NE 2.8Å; E193-R475 IonicContact OE2-NH2 3.86Å; E193-R475 PolarHBondContact OE2-NH2 2.95Å; M194-R475 HydrophobicContact CE-CB 4Å; M194-R475 HydrophobicContact CE-CG 4.46Å; M194-R475 HydrophobicContact CG-CG 4.17Å; M194-R475 HydrophobicContact SD-CB 3.91Å; M194-R475 HydrophobicContact SD-CG 3.72Å; K433-R475 PolarHBondContact O-NH1 2.87Å; G434-R475 WeakPolarHBondContact O-CB 3.38Å; L471-R475 HydrophobicContact CD1-CG 4.38Å; L471-R475 VanDerWaalsContact O-CG 3.32Å; L471-R475 WeakPolarHBondContact O-CG 3.22Å; L471-R475 PolarHBondContact O-N 2.77Å; M472-R475 PolarHBondContact O-N 2.85Å; R475-G477 PolarHBondContact O-N 3.13Å; R475-L478 WeakPolarHBondContact O-CB 3.42Å; R475-L478 PolarHBondContact O-N 2.94Å; R475-L478 VanDerWaalsContact O-N 3.12Å |
| 476 | L | 97.3 | Very high | 95.4 | Very high | 8 Ų | 8 | 25.6 Ų | 25.6 | 4% | 0.042 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -62.1 | -33.8 | 179.3 | -64.8 | 172.1 | 0 | 0 | 0 | 111.6 | A255 L439 F459 M472 L473 L478 V479 R480 V488 M490 | A255-L476 HydrophobicContact CB-CD1 4.12Å; L439-L476 HydrophobicContact CD2-CD2 4.28Å; F459-L476 HydrophobicContact CD1-CD1 3.69Å; F459-L476 HydrophobicContact CD2-CD1 4.06Å; F459-L476 HydrophobicContact CE1-CD1 3.71Å; F459-L476 HydrophobicContact CE2-CD1 4.06Å; F459-L476 HydrophobicContact CG-CD1 3.88Å; F459-L476 HydrophobicContact CZ-CD1 3.9Å; M472-L476 VanDerWaalsContact O-CG 3.3Å; M472-L476 WeakPolarHBondContact O-CG 3.16Å; M472-L476 PolarHBondContact O-N 3.05Å; L473-L476 PolarHBondContact O-N 3.44Å; L476-L478 VanDerWaalsContact C-N 3.34Å; L476-L478 PolarHBondContact O-N 2.77Å; L476-V479 PolarHBondContact O-N 2.89Å; L476-R480 PolarHBondContact O-N 3.4Å; L476-V488 HydrophobicContact CB-CG1 4.3Å; L476-V488 HydrophobicContact CD2-CG1 3.9Å; L476-M490 HydrophobicContact CD1-CE 3.74Å |
| 477 | G | 95.7 | Very high | 95.9 | Very high | 31 Ų | 31 | 27.2 Ų | 27.2 | 32% | 0.32 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -63.7 | -34.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L473 D474 R475 V479 R480 | L473-G477 PolarHBondContact O-N 2.97Å; D474-G477 PolarHBondContact O-N 2.88Å; R475-G477 PolarHBondContact O-N 3.13Å; G477-V479 VanDerWaalsContact C-N 3.33Å; G477-R480 WeakPolarHBondContact O-CG 3.43Å |
| 478 | L | 94.9 | Very high | 96.1 | Very high | 38 Ų | 38 | 27.6 Ų | 27.6 | 20% | 0.199 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.3 | -27.4 | 177.4 | -72.9 | 171.1 | 0 | 0 | 0 | 113.3 | T190 E191 M194 F242 D474 R475 L476 T482 | T190-L478 HydrophobicContact CG2-CD1 3.81Å; E191-L478 HydrophobicContact CG-CD1 4.15Å; E191-L478 HydrophobicContact CG-CD2 4.14Å; M194-L478 HydrophobicContact CG-CD1 4.13Å; F242-L478 HydrophobicContact CD2-CD2 4.28Å; D474-L478 WeakPolarHBondContact O-CG 3.42Å; D474-L478 PolarHBondContact O-N 2.71Å; D474-L478 VanDerWaalsContact O-N 3.09Å; R475-L478 WeakPolarHBondContact O-CB 3.42Å; R475-L478 PolarHBondContact O-N 2.94Å; R475-L478 VanDerWaalsContact O-N 3.12Å; L476-L478 VanDerWaalsContact C-N 3.34Å; L476-L478 PolarHBondContact O-N 2.77Å; L478-T482 PolarHBondContact O-OG1 2.93Å |
| 479 | V | 95.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -115.7 | 29.9 | -172.9 | -62.6 | 0 | 0 | 0 | 0 | 113.6 | M194 F242 I436 L439 L476 G477 D481 L485 V488 | M194-V479 HydrophobicContact CE-CG1 3.71Å; M194-V479 HydrophobicContact CE-CG2 3.94Å; F242-V479 HydrophobicContact CD1-CG1 4.14Å; F242-V479 HydrophobicContact CE1-CG1 4.05Å; I436-V479 HydrophobicContact CD1-CG1 3.92Å; L439-V479 HydrophobicContact CD1-CG2 3.5Å; L476-V479 PolarHBondContact O-N 2.89Å; G477-V479 VanDerWaalsContact C-N 3.33Å; V479-D481 VanDerWaalsContact C-N 3.31Å; V479-D481 PolarHBondContact O-N 2.82Å; V479-L485 HydrophobicContact CB-CD1 4.23Å; V479-L485 HydrophobicContact CG1-CD1 3.77Å; V479-V488 HydrophobicContact CG2-CG2 4.22Å |
| 480 | R | 95.4 | Very high | 96.1 | Very high | 132 Ų | 132 | 33.3 Ų | 33.3 | 50% | 0.498 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -46.3 | 176.9 | -71.8 | 179 | -172.1 | -149.9 | -3 | 112.6 | E292 L476 G477 K487 V488 | E292-R480 IonicContact OE1-NH1 2.85Å; E292-R480 IonicContact OE2-CZ 3.23Å; E292-R480 IonicContact OE2-NH1 3.8Å; E292-R480 PolarHBondContact OE2-NH1 2.79Å; E292-R480 IonicContact OE2-NH2 2.75Å; E292-R480 PolarHBondContact OE2-NH2 3.17Å; L476-R480 PolarHBondContact O-N 3.4Å; G477-R480 WeakPolarHBondContact O-CG 3.43Å; R480-K487 CarbonylContact O-C 3.43Å; R480-K487 WeakPolarHBondContact O-CA 3.31Å; R480-V488 VanDerWaalsContact CA-O 3.31Å; R480-V488 WeakPolarHBondContact CA-O 3.3Å; R480-V488 PolarHBondContact O-N 2.88Å |
| 481 | D | 96.7 | Very high | 96.2 | Very high | 44 Ų | 44 | 31.2 Ų | 31.2 | 24% | 0.235 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -151.9 | 68.8 | 179.3 | -173.9 | 17.3 | 0 | 0 | 0 | 109.8 | R245 N246 V479 | R245-D481 WeakPolarHBondContact CA-O 3.11Å; N246-D481 VanDerWaalsContact CB-OD1 3.24Å; N246-D481 WeakPolarHBondContact CB-OD1 3.34Å; N246-D481 PolarHBondContact N-OD1 3.48Å; N246-D481 PolarHBondContact ND2-OD1 3.13Å; V479-D481 VanDerWaalsContact C-N 3.31Å; V479-D481 PolarHBondContact O-N 2.82Å |
| 482 | T | 96.1 | Very high | 96.3 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | trans | -104.2 | 125.3 | -179.7 | -59.6 | 0 | 0 | 0 | 0 | 110.3 | F241 F242 Q244 N246 L478 G484 L485 | F241-T482 HydrophobicContact CE1-CG2 4.34Å; F242-T482 HydrophobicContact CD1-CG2 4.02Å; F242-T482 PolarHBondContact O-OG1 3.23Å; Q244-T482 CarbonylContact O-C 3.54Å; Q244-T482 WeakPolarHBondContact O-CA 3.24Å; N246-T482 VanDerWaalsContact ND2-C 3.25Å; N246-T482 PolarHBondContact ND2-N 2.99Å; N246-T482 PolarHBondContact ND2-O 3.38Å; N246-T482 PolarHBondContact OD1-O 2.7Å; L478-T482 PolarHBondContact O-OG1 2.93Å; T482-G484 PolarHBondContact O-N 2.9Å; T482-L485 HydrophobicContact CG2-CD1 4.24Å; T482-L485 WeakPolarHBondContact O-CB 3.38Å; T482-L485 PolarHBondContact O-N 3.24Å; T482-L485 VanDerWaalsContact O-N 3.13Å | ||
| 483 | D | 95.1 | Very high | 96.3 | Very high | 62 Ų | 62 | 30.5 Ų | 30.5 | 33% | 0.332 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | 134.8 | 178.2 | 179.6 | 54.6 | 0 | 0 | 0 | 112 | R208 Q244 N246 L485 | R208-D483 IonicContact CZ-OD2 3.32Å; R208-D483 PolarHBondContact NE-O 3.45Å; R208-D483 IonicContact NE-OD2 3.56Å; Q244-D483 HydrophobicContact CB-CB 4.22Å; Q244-D483 WeakPolarHBondContact O-CB 3.18Å; Q244-D483 PolarHBondContact O-N 2.59Å; N246-D483 VanDerWaalsContact OD1-CA 3.31Å; N246-D483 WeakPolarHBondContact OD1-CA 3.41Å; D483-L485 VanDerWaalsContact C-N 3.33Å |
| 484 | G | 92.4 | Very high | 96.2 | Very high | 31 Ų | 31 | 33.3 Ų | 33.3 | 32% | 0.32 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 0.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | N246 T482 | N246-G484 PolarHBondContact OD1-N 3.47Å; T482-G484 PolarHBondContact O-N 2.9Å |
| 485 | L | 95.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | S | Bend | trans | -124.8 | 159.3 | 177.1 | -62.6 | 177.6 | 0 | 0 | 0 | 110.5 | I198 L202 N246 Q250 I436 V440 V479 T482 D483 | I198-L485 HydrophobicContact CD1-CD1 3.83Å; I198-L485 HydrophobicContact CG1-CD1 4.06Å; I198-L485 HydrophobicContact CG1-CD2 4.44Å; L202-L485 HydrophobicContact CD2-CD2 4.37Å; N246-L485 PolarHBondContact ND2-O 3.17Å; N246-L485 PolarHBondContact OD1-O 2.79Å; N246-L485 VanDerWaalsContact OD1-O 3.1Å; Q250-L485 WeakPolarHBondContact CG-O 3.21Å; Q250-L485 VanDerWaalsContact NE2-C 3.27Å; Q250-L485 PolarHBondContact NE2-O 3.13Å; I436-L485 HydrophobicContact CD1-CD1 3.65Å; I436-L485 HydrophobicContact CG2-CD2 3.82Å; V440-L485 HydrophobicContact CG2-CD2 4.13Å; V479-L485 HydrophobicContact CB-CD1 4.23Å; V479-L485 HydrophobicContact CG1-CD1 3.77Å; T482-L485 HydrophobicContact CG2-CD1 4.24Å; T482-L485 WeakPolarHBondContact O-CB 3.38Å; T482-L485 PolarHBondContact O-N 3.24Å; T482-L485 VanDerWaalsContact O-N 3.13Å; D483-L485 VanDerWaalsContact C-N 3.33Å |
| 486 | P | 96.4 | Very high | 96.3 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | trans | -59.7 | 152.1 | 169.4 | 25.8 | -34.4 | 0 | 0 | 0 | 111.5 | H251 V253 L439 V443 | H251-P486 HydrophobicContact CB-CB 4.49Å; H251-P486 CarbonylContact O-C 3.57Å; H251-P486 WeakPolarHBondContact O-CA 3.04Å; H251-P486 WeakPolarHBondContact O-CB 3.28Å; V253-P486 HydrophobicContact CG2-CB 3.83Å; V253-P486 HydrophobicContact CG2-CG 4.08Å; L439-P486 HydrophobicContact CB-CG 3.86Å; V443-P486 HydrophobicContact CG2-CB 3.6Å; V443-P486 HydrophobicContact CG2-CG 3.71Å | ||
| 487 | K | 97.1 | Very high | 96.4 | Very high | 43 Ų | 43 | 35.9 Ų | 35.9 | 19% | 0.187 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 136.5 | 167.3 | -67.9 | 176.9 | -179.3 | 171 | 0 | 108.5 | N246 G247 Q250 H251 T252 V253 R480 | N246-K487 HydrophobicContact CB-CG 4.44Å; G247-K487 WeakPolarHBondContact O-CE 3.4Å; G247-K487 PolarHBondContact O-NZ 2.8Å; Q250-K487 HydrophobicContact CB-CD 4.42Å; Q250-K487 HydrophobicContact CB-CG 4.29Å; Q250-K487 HydrophobicContact CG-CG 4.34Å; H251-K487 PolarHBondContact O-N 3.31Å; T252-K487 CarbonylContact C-O 3.6Å; V253-K487 PolarHBondContact N-O 3.05Å; R480-K487 CarbonylContact O-C 3.43Å; R480-K487 WeakPolarHBondContact O-CA 3.31Å |
| 488 | V | 97.1 | Very high | 96.4 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 129.6 | 179.1 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | V253 A255 L439 L476 V479 R480 | V253-V488 HydrophobicContact CB-CG2 4.43Å; A255-V488 HydrophobicContact CB-CG1 4.06Å; L439-V488 HydrophobicContact CD1-CG2 3.74Å; L439-V488 HydrophobicContact CD2-CG2 3.77Å; L439-V488 HydrophobicContact CG-CG2 4.37Å; L476-V488 HydrophobicContact CB-CG1 4.3Å; L476-V488 HydrophobicContact CD2-CG1 3.9Å; V479-V488 HydrophobicContact CG2-CG2 4.22Å; R480-V488 VanDerWaalsContact CA-O 3.31Å; R480-V488 WeakPolarHBondContact CA-O 3.3Å; R480-V488 PolarHBondContact O-N 2.88Å |
| 489 | Q | 95.6 | Very high | 96.5 | Very high | 87 Ų | 87 | 39.9 Ų | 39.9 | 41% | 0.407 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 141.5 | 174.5 | 62.3 | -179.5 | 5.7 | 0 | 0 | 111.4 | T252 V253 H254 A255 S491 | T252-Q489 HydrophobicContact CG2-CG 4.16Å; V253-Q489 PolarHBondContact O-N 3Å; H254-Q489 PolarHBondContact CE1-NE2 3.43Å; H254-Q489 PolarHBondContact ND1-NE2 2.94Å; H254-Q489 PolarHBondContact NE2-NE2 2.84Å; A255-Q489 PolarHBondContact N-O 2.88Å; Q489-S491 PolarHBondContact O-N 2.67Å |
| 490 | M | 96.9 | Very high | 96.6 | Very high | 45 Ų | 45 | 39.9 Ų | 39.9 | 22% | 0.222 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 129 | 164.3 | -85.5 | -52.9 | 103.7 | 0 | 0 | 109.3 | A255 E292 F459 L476 | A255-M490 HydrophobicContact CB-CE 3.35Å; A255-M490 WeakPolarHBondContact O-CA 3.05Å; A255-M490 VanDerWaalsContact O-SD 3.42Å; E292-M490 WeakPolarHBondContact O-CB 3.35Å; E292-M490 WeakPolarHBondContact O-CG 3.37Å; F459-M490 HydrophobicContact CD1-CE 4.47Å; F459-M490 HydrophobicContact CE1-CE 3.49Å; F459-M490 VanDerWaalsContact CE1-CE 3.49Å; F459-M490 HydrophobicContact CE1-SD 3.84Å; F459-M490 HydrophobicContact CZ-CE 3.87Å; F459-M490 HydrophobicContact CZ-SD 3.97Å; L476-M490 HydrophobicContact CD1-CE 3.74Å |
| 491 | S | 97.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.205 | C | C | . | . | trans | -135.1 | 172.9 | -173.1 | -168.4 | 0 | 0 | 0 | 0 | 111.4 | H254 A255 M256 V294 Q489 K495 | H254-S491 WeakPolarHBondContact ND1-CB 3.13Å; H254-S491 PolarHBondContact ND1-OG 2.91Å; A255-S491 PolarHBondContact O-N 2.98Å; M256-S491 WeakPolarHBondContact CG-O 3.07Å; V294-S491 VanDerWaalsContact CB-O 3.29Å; V294-S491 WeakPolarHBondContact CB-O 3.49Å; V294-S491 WeakPolarHBondContact CG1-O 3.49Å; Q489-S491 PolarHBondContact O-N 2.67Å; S491-K495 WeakPolarHBondContact OG-CB 3.36Å | ||
| 492 | S | 97.5 | Very high | 96.7 | Very high | 19 Ų | 19 | 39.4 Ų | 39.4 | 13% | 0.133 | 23% | 0.225 | C | C | . | . | trans | -116.4 | 164.9 | 163.3 | 63.4 | 0 | 0 | 0 | 0 | 109.8 | S494 K495 L496 | S492-S494 VanDerWaalsContact C-N 3.29Å; S492-S494 PolarHBondContact O-N 2.8Å; S492-K495 PolarHBondContact O-N 2.81Å; S492-K495 WeakPolarHBondContact OG-CG 3.5Å; S492-K495 PolarHBondContact OG-N 2.79Å; S492-L496 PolarHBondContact O-N 2.93Å; S492-L496 VanDerWaalsContact O-N 3.07Å | ||
| 493 | P | 97.2 | Very high | 96.6 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.006 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.9 | -44.9 | 172.5 | -26.3 | 35 | 0 | 0 | 0 | 112 | M256 T296 V329 E367 W369 K495 L496 F497 | M256-P493 HydrophobicContact SD-CG 3.99Å; T296-P493 HydrophobicContact CG2-CG 3.82Å; V329-P493 HydrophobicContact CG1-CG 3.78Å; E367-P493 HydrophobicContact CG-CB 3.96Å; E367-P493 WeakPolarHBondContact OE1-CB 3.25Å; E367-P493 WeakPolarHBondContact OE1-CG 3.36Å; W369-P493 HydrophobicContact CE3-CG 4.45Å; W369-P493 HydrophobicContact CH2-CG 4.18Å; W369-P493 HydrophobicContact CZ3-CB 3.99Å; W369-P493 HydrophobicContact CZ3-CG 3.65Å; P493-K495 VanDerWaalsContact C-N 3.32Å; P493-K495 PolarHBondContact O-N 3.23Å; P493-L496 PolarHBondContact O-N 3.1Å; P493-F497 HydrophobicContact CB-CD2 4.46Å; P493-F497 WeakPolarHBondContact O-CD2 3.38Å; P493-F497 PolarHBondContact O-N 3.3Å |
| 494 | S | 96.7 | Very high | 96.6 | Very high | 78 Ų | 78 | 40.2 Ų | 40.2 | 55% | 0.545 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -55.6 | -43.9 | 176.6 | 173 | 0 | 0 | 0 | 0 | 112.7 | S492 S498 | S492-S494 VanDerWaalsContact C-N 3.29Å; S492-S494 PolarHBondContact O-N 2.8Å; S494-S498 VanDerWaalsContact O-CB 3.3Å; S494-S498 WeakPolarHBondContact O-CB 3.29Å; S494-S498 PolarHBondContact O-N 2.87Å; S494-S498 PolarHBondContact O-OG 2.81Å |
| 495 | K | 97.6 | Very high | 96.7 | Very high | 123 Ų | 123 | 42.5 Ų | 42.5 | 54% | 0.535 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.2 | -45 | 177.1 | -75.9 | 176.8 | -178.4 | 177.5 | 0 | 112 | S491 S492 P493 Q499 | S491-K495 WeakPolarHBondContact OG-CB 3.36Å; S492-K495 PolarHBondContact O-N 2.81Å; S492-K495 WeakPolarHBondContact OG-CG 3.5Å; S492-K495 PolarHBondContact OG-N 2.79Å; P493-K495 VanDerWaalsContact C-N 3.32Å; P493-K495 PolarHBondContact O-N 3.23Å; K495-Q499 WeakPolarHBondContact O-CG 3.35Å; K495-Q499 PolarHBondContact O-N 2.96Å |
| 496 | L | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.3 | -57 | 177.7 | 169.6 | 67 | 0 | 0 | 0 | 110.9 | H254 M256 H454 A456 S492 P493 S498 Q499 L500 | H254-L496 HydrophobicContact CB-CB 4.3Å; H254-L496 HydrophobicContact CB-CD1 4.05Å; M256-L496 HydrophobicContact CE-CD2 4.09Å; H454-L496 HydrophobicContact CB-CD1 4.48Å; A456-L496 HydrophobicContact CB-CD2 3.66Å; S492-L496 PolarHBondContact O-N 2.93Å; S492-L496 VanDerWaalsContact O-N 3.07Å; P493-L496 PolarHBondContact O-N 3.1Å; L496-S498 PolarHBondContact O-N 2.86Å; L496-Q499 WeakPolarHBondContact O-CB 3.39Å; L496-Q499 PolarHBondContact O-N 2.73Å; L496-L500 HydrophobicContact CD1-CD1 3.91Å; L496-L500 HydrophobicContact CD1-CD2 4.41Å; L496-L500 HydrophobicContact CD1-CG 4.04Å; L496-L500 HydrophobicContact CD2-CD1 4.47Å; L496-L500 HydrophobicContact CG-CD1 3.9Å; L496-L500 HydrophobicContact CG-CG 4.34Å; L496-L500 WeakPolarHBondContact O-CG 3.35Å; L496-L500 PolarHBondContact O-N 2.75Å |
| 497 | F | 98.3 | Very high | 96.8 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.022 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -64.3 | -28.5 | -176.3 | -78.9 | -72.1 | 0 | 0 | 0 | 112.3 | E367 N391 L393 L421 H423 P493 L500 Q501 | E367-F497 HydrophobicContact CB-CE2 4.2Å; N391-F497 HydrophobicContact CB-CD1 3.72Å; N391-F497 HydrophobicContact CB-CD2 3.86Å; N391-F497 HydrophobicContact CB-CE1 3.74Å; N391-F497 HydrophobicContact CB-CE2 3.88Å; N391-F497 HydrophobicContact CB-CG 3.79Å; N391-F497 HydrophobicContact CB-CZ 3.82Å; L393-F497 HydrophobicContact CB-CZ 4.4Å; L421-F497 HydrophobicContact CD2-CD1 3.92Å; L421-F497 HydrophobicContact CG-CD1 4Å; L421-F497 HydrophobicContact CG-CE1 4.32Å; L421-F497 WeakPolarHBondContact O-CE1 3.44Å; H423-F497 HydrophobicContact CB-CE1 4.03Å; H423-F497 HydrophobicContact CB-CZ 4.17Å; P493-F497 HydrophobicContact CB-CD2 4.46Å; P493-F497 WeakPolarHBondContact O-CD2 3.38Å; P493-F497 PolarHBondContact O-N 3.3Å; F497-L500 HydrophobicContact CD1-CD1 4.2Å; F497-L500 HydrophobicContact CE1-CD1 4.39Å; F497-L500 PolarHBondContact O-N 2.79Å; F497-Q501 WeakPolarHBondContact O-CB 3.28Å; F497-Q501 PolarHBondContact O-N 2.84Å |
| 498 | S | 97.7 | Very high | 96.8 | Very high | 69 Ų | 69 | 47.5 Ų | 47.5 | 48% | 0.483 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.7 | -38.9 | 171.1 | -60.8 | 0 | 0 | 0 | 0 | 112.6 | S494 L496 A502 | S494-S498 VanDerWaalsContact O-CB 3.3Å; S494-S498 WeakPolarHBondContact O-CB 3.29Å; S494-S498 PolarHBondContact O-N 2.87Å; S494-S498 PolarHBondContact O-OG 2.81Å; L496-S498 PolarHBondContact O-N 2.86Å; S498-A502 PolarHBondContact O-N 2.86Å |
| 499 | Q | 97 | Very high | 96.8 | Very high | 85 Ų | 85 | 50 Ų | 50 | 40% | 0.397 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -68.7 | -45.6 | 174.4 | -62.3 | -57.4 | -57.5 | 0 | 0 | 111 | H454 K495 L496 Q501 A502 | H454-Q499 HydrophobicContact CB-CB 4.36Å; K495-Q499 WeakPolarHBondContact O-CG 3.35Å; K495-Q499 PolarHBondContact O-N 2.96Å; L496-Q499 WeakPolarHBondContact O-CB 3.39Å; L496-Q499 PolarHBondContact O-N 2.73Å; Q499-Q501 VanDerWaalsContact C-N 3.3Å; Q499-Q501 PolarHBondContact O-N 2.81Å; Q499-A502 WeakPolarHBondContact O-CB 3.36Å; Q499-A502 PolarHBondContact O-N 2.86Å; Q499-A502 VanDerWaalsContact O-N 3.16Å |
| 500 | L | 97.3 | Very high | 97 | Very high | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -35.8 | 178.7 | -59.8 | 177.9 | 0 | 0 | 0 | 112.3 | T409 L421 H423 T452 H454 L496 F497 A502 D503 | T409-L500 HydrophobicContact CG2-CB 4.21Å; T409-L500 HydrophobicContact CG2-CD1 4.05Å; T409-L500 HydrophobicContact CG2-CD2 3.98Å; T409-L500 HydrophobicContact CG2-CG 4.3Å; L421-L500 HydrophobicContact CD2-CB 4.01Å; H423-L500 HydrophobicContact CB-CD1 3.86Å; T452-L500 WeakPolarHBondContact OG1-CD2 3.49Å; H454-L500 HydrophobicContact CB-CD2 3.91Å; L496-L500 HydrophobicContact CD1-CD1 3.91Å; L496-L500 HydrophobicContact CD1-CD2 4.41Å; L496-L500 HydrophobicContact CD1-CG 4.04Å; L496-L500 HydrophobicContact CD2-CD1 4.47Å; L496-L500 HydrophobicContact CG-CD1 3.9Å; L496-L500 HydrophobicContact CG-CG 4.34Å; L496-L500 WeakPolarHBondContact O-CG 3.35Å; L496-L500 PolarHBondContact O-N 2.75Å; F497-L500 HydrophobicContact CD1-CD1 4.2Å; F497-L500 HydrophobicContact CE1-CD1 4.39Å; F497-L500 PolarHBondContact O-N 2.79Å; L500-A502 VanDerWaalsContact C-N 3.28Å; L500-A502 PolarHBondContact O-N 3.01Å; L500-D503 PolarHBondContact O-N 2.94Å; L500-D503 VanDerWaalsContact O-N 3.17Å |
| 501 | Q | 96.9 | Very high | 97 | Very high | 85 Ų | 85 | 50.3 Ų | 50.3 | 40% | 0.397 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -65.9 | -31.2 | 177.1 | -175.1 | 63.5 | 49.8 | 0 | 0 | 112.2 | L421 F497 Q499 D503 S504 | L421-Q501 HydrophobicContact CD2-CB 4.1Å; F497-Q501 WeakPolarHBondContact O-CB 3.28Å; F497-Q501 PolarHBondContact O-N 2.84Å; Q499-Q501 VanDerWaalsContact C-N 3.3Å; Q499-Q501 PolarHBondContact O-N 2.81Å; Q501-D503 PolarHBondContact O-N 3.08Å; Q501-S504 WeakPolarHBondContact O-CB 3.47Å; Q501-S504 PolarHBondContact O-N 2.89Å; Q501-S504 VanDerWaalsContact O-N 3.11Å; Q501-S504 PolarHBondContact O-OG 2.82Å |
| 502 | A | 95.9 | Very high | 97 | Very high | 80 Ų | 80 | 51 Ų | 51 | 66% | 0.661 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.4 | -29.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | S498 Q499 L500 | S498-A502 PolarHBondContact O-N 2.86Å; Q499-A502 WeakPolarHBondContact O-CB 3.36Å; Q499-A502 PolarHBondContact O-N 2.86Å; Q499-A502 VanDerWaalsContact O-N 3.16Å; L500-A502 VanDerWaalsContact C-N 3.28Å; L500-A502 PolarHBondContact O-N 3.01Å |
| 503 | D | 94.9 | Very high | 97 | Very high | 41 Ų | 41 | 50.8 Ų | 50.8 | 22% | 0.219 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 5.8 | 177.8 | -64.1 | -29.8 | 0 | 0 | 0 | 113.3 | L500 Q501 G505 L506 | L500-D503 PolarHBondContact O-N 2.94Å; L500-D503 VanDerWaalsContact O-N 3.17Å; Q501-D503 PolarHBondContact O-N 3.08Å; D503-G505 PolarHBondContact O-N 2.95Å; D503-L506 WeakPolarHBondContact O-CB 3.29Å; D503-L506 PolarHBondContact O-N 3.17Å |
| 504 | S | 94.8 | Very high | 97.1 | Very high | 39 Ų | 39 | 50.8 Ų | 50.8 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -51.2 | -35.6 | -172.7 | 50.4 | 0 | 0 | 0 | 0 | 115 | Q501 L506 L507 | Q501-S504 WeakPolarHBondContact O-CB 3.47Å; Q501-S504 PolarHBondContact O-N 2.89Å; Q501-S504 VanDerWaalsContact O-N 3.11Å; Q501-S504 PolarHBondContact O-OG 2.82Å; S504-L506 PolarHBondContact O-N 2.86Å; S504-L506 VanDerWaalsContact O-N 3.14Å; S504-L507 PolarHBondContact O-N 2.96Å |
| 505 | G | 95.6 | Very high | 97.1 | Very high | 79 Ų | 79 | 47.6 Ų | 47.6 | 81% | 0.814 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -65.8 | -11.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115 | D503 | D503-G505 PolarHBondContact O-N 2.95Š|
| 506 | L | 96.1 | Very high | 97 | Very high | 100 Ų | 100 | 41.8 Ų | 41.8 | 52% | 0.524 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -107 | -11 | -178.9 | -56.3 | 176.7 | 0 | 0 | 0 | 113.1 | R451 D503 S504 | R451-L506 HydrophobicContact CB-CB 4.18Å; R451-L506 VanDerWaalsContact CD-O 3.31Å; R451-L506 WeakPolarHBondContact CD-O 3.29Å; R451-L506 HydrophobicContact CG-CB 4.44Å; D503-L506 WeakPolarHBondContact O-CB 3.29Å; D503-L506 PolarHBondContact O-N 3.17Å; S504-L506 PolarHBondContact O-N 2.86Å; S504-L506 VanDerWaalsContact O-N 3.14Å |
| 507 | L | 97.1 | Very high | 96.9 | Very high | 19 Ų | 19 | 42.3 Ų | 42.3 | 10% | 0.099 | 26% | 0.264 | C | S | . | . | trans | -81.5 | 144 | -171.9 | -59 | -178.2 | 0 | 0 | 0 | 112.4 | T409 F411 L421 S504 | T409-L507 HydrophobicContact CG2-CD1 3.89Å; T409-L507 HydrophobicContact CG2-CD2 3.92Å; F411-L507 HydrophobicContact CD2-CB 4.14Å; F411-L507 HydrophobicContact CE2-CB 4.21Å; F411-L507 HydrophobicContact CE2-CD1 4.26Å; L421-L507 HydrophobicContact CD1-CD1 3.44Å; L421-L507 VanDerWaalsContact CD1-CD1 3.44Å; S504-L507 PolarHBondContact O-N 2.96Å | ||
| 508 | C | 97.4 | Very high | 96.7 | Very high | 36 Ų | 36 | 42.5 Ų | 42.5 | 24% | 0.243 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 162.2 | 173.4 | -66.5 | 0 | 0 | 0 | 0 | 111.3 | H407 F410 F411 R451 | H407-C508 VanDerWaalsContact CE1-CB 3.43Å; H407-C508 WeakPolarHBondContact CE1-CB 3.37Å; H407-C508 VanDerWaalsContact CE1-SG 3.51Å; F410-C508 WeakPolarHBondContact CA-O 3.48Å; F410-C508 WeakPolarHBondContact CB-O 3.22Å; F411-C508 PolarHBondContact N-O 3.38Å; R451-C508 VanDerWaalsContact CZ-SG 3.54Å |
| 509 | T | 98.3 | Very high | 96.7 | Very high | 59 Ų | 59 | 39.5 Ų | 39.5 | 36% | 0.362 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 135.8 | 171.6 | -59.1 | 0 | 0 | 0 | 0 | 109.6 | F411 E413 K419 | F411-T509 HydrophobicContact CB-CG2 4.45Å; F411-T509 CarbonylContact O-C 3.47Å; F411-T509 VanDerWaalsContact O-CA 3.24Å; F411-T509 WeakPolarHBondContact O-CA 3.08Å; E413-T509 HydrophobicContact CB-CG2 3.6Å; E413-T509 HydrophobicContact CG-CG2 4.45Å; K419-T509 PolarHBondContact NZ-OG1 2.67Å |
| 510 | W | 98.4 | Very high | 96.6 | Very high | 51 Ų | 51 | 35.5 Ų | 35.5 | 19% | 0.193 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 120 | 166.8 | -178 | -84.5 | 0 | 0 | 0 | 108.8 | F405 P406 F410 F411 E413 E513 L514 W834 | F405-W510 AromaticContact CE2-CD2 3.81Å; F405-W510 HydrophobicContact CE2-CD2 3.81Å; F405-W510 AromaticContact CE2-CE2 3.81Å; F405-W510 AromaticContact CE2-CE3 3.87Å; F405-W510 HydrophobicContact CE2-CE3 3.87Å; F405-W510 HydrophobicContact CE2-CG 4.47Å; F405-W510 AromaticContact CE2-CH2 3.94Å; F405-W510 HydrophobicContact CE2-CH2 3.94Å; F405-W510 AromaticContact CE2-CZ2 3.88Å; F405-W510 HydrophobicContact CE2-CZ2 3.88Å; F405-W510 AromaticContact CE2-CZ3 3.94Å; F405-W510 HydrophobicContact CE2-CZ3 3.94Å; F405-W510 HydrophobicContact CZ-CB 4.39Å; F405-W510 AromaticContact CZ-CD2 3.58Å; F405-W510 HydrophobicContact CZ-CD2 3.58Å; F405-W510 AromaticContact CZ-CE3 3.65Å; F405-W510 HydrophobicContact CZ-CE3 3.65Å; F405-W510 AromaticContact CZ-CG 3.92Å; F405-W510 HydrophobicContact CZ-CG 3.92Å; F405-W510 HydrophobicContact CZ-CZ3 4.16Å; P406-W510 HydrophobicContact CG-CE3 4.34Å; P406-W510 HydrophobicContact CG-CZ3 3.94Å; F410-W510 HydrophobicContact CD2-CB 3.66Å; F410-W510 HydrophobicContact CE2-CB 3.67Å; F410-W510 HydrophobicContact CE2-CG 4.39Å; F411-W510 PolarHBondContact O-N 2.92Å; E413-W510 PolarHBondContact N-O 3.07Å; W510-E513 PolarHBondContact NE1-O 2.97Å; W510-L514 VanDerWaalsContact CD1-CD2 3.46Å; W510-L514 HydrophobicContact CD2-CD2 4.48Å; W510-L514 HydrophobicContact CG-CD2 4.05Å; W510-W834 HydrophobicContact CH2-CH2 4.3Å; W510-W834 HydrophobicContact CH2-CZ3 4.27Å |
| 511 | T | 98.3 | Very high | 96.7 | Very high | 87 Ų | 87 | 35.5 Ų | 35.5 | 53% | 0.534 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 132.3 | -178.3 | -55.1 | 0 | 0 | 0 | 0 | 110.6 | E413 | E413-T511 HydrophobicContact CB-CG2 4.46Å; E413-T511 HydrophobicContact CG-CG2 4.39Å; E413-T511 WeakPolarHBondContact O-CA 3.47Å; E413-T511 WeakPolarHBondContact OE1-CG2 3.49Å; E413-T511 PolarHBondContact OE1-OG1 2.87Å |
| 512 | G | 96.8 | Very high | 96.7 | Very high | 14 Ų | 14 | 31.5 Ų | 31.5 | 14% | 0.144 | 21% | 0.206 | C | C | . | . | S | Bend | trans | 98.5 | -155.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.7 | A378 W412 E413 | A378-G512 VanDerWaalsContact CB-C 3.47Å; W412-G512 PolarHBondContact NE1-O 2.58Å; E413-G512 PolarHBondContact O-N 3.1Å |
| 513 | E | 97.4 | Very high | 96.8 | Very high | 15 Ų | 15 | 27.9 Ų | 27.9 | 7% | 0.07 | 18% | 0.176 | C | C | . | . | trans | -70.6 | 150.5 | -174.9 | 65.5 | -179.6 | 178.3 | 0 | 0 | 112.3 | A378 W510 F515 L824 R826 R838 | A378-E513 HydrophobicContact CB-CB 4.26Å; W510-E513 PolarHBondContact NE1-O 2.97Å; E513-F515 HydrophobicContact CG-CB 4.38Å; E513-L824 HydrophobicContact CB-CD2 3.86Å; E513-L824 HydrophobicContact CG-CD2 3.97Å; E513-R826 IonicContact OE1-CZ 3.81Å; E513-R826 IonicContact OE1-NE 3.44Å; E513-R826 PolarHBondContact OE1-NE 3.11Å; E513-R826 IonicContact OE1-NH2 3.58Å; E513-R826 IonicContact OE2-CZ 2.88Å; E513-R826 IonicContact OE2-NE 3.59Å; E513-R826 PolarHBondContact OE2-NE 3.5Å; E513-R826 IonicContact OE2-NH2 3.02Å; E513-R826 PolarHBondContact OE2-NH2 2.9Å; E513-R838 IonicContact OE1-NE 3.78Å | ||
| 514 | L | 98 | Very high | 97 | Very high | 1 Ų | 1 | 26.1 Ų | 26.1 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | B | Isolated β-bridge | trans | -100.2 | 85.7 | 166.8 | -65.9 | 173 | 0 | 0 | 0 | 107.9 | Y376 F392 L397 F405 F410 W412 F424 W510 | Y376-L514 HydrophobicContact CD2-CB 3.79Å; Y376-L514 HydrophobicContact CD2-CD1 4.36Å; Y376-L514 HydrophobicContact CG-CB 4.29Å; Y376-L514 PolarHBondContact N-O 3.23Å; Y376-L514 PolarHBondContact O-N 3.16Å; F392-L514 HydrophobicContact CE1-CD1 4.14Å; L397-L514 HydrophobicContact CD1-CB 3.65Å; L397-L514 HydrophobicContact CD1-CD1 4.11Å; L397-L514 HydrophobicContact CD1-CD2 3.94Å; L397-L514 HydrophobicContact CD1-CG 4.11Å; F405-L514 HydrophobicContact CE2-CD2 3.68Å; F405-L514 HydrophobicContact CZ-CD2 3.58Å; F410-L514 HydrophobicContact CE2-CD2 4.27Å; F410-L514 HydrophobicContact CZ-CD1 4.48Å; F410-L514 HydrophobicContact CZ-CD2 4.12Å; W412-L514 HydrophobicContact CD2-CD1 3.73Å; W412-L514 HydrophobicContact CD2-CG 4.27Å; W412-L514 HydrophobicContact CE3-CD1 3.95Å; W412-L514 HydrophobicContact CG-CD1 4.23Å; W412-L514 HydrophobicContact CH2-CD1 4.13Å; W412-L514 HydrophobicContact CZ2-CD1 3.95Å; W412-L514 HydrophobicContact CZ2-CG 4.09Å; W412-L514 HydrophobicContact CZ3-CD1 4.14Å; F424-L514 HydrophobicContact CZ-CD1 4.26Å; W510-L514 VanDerWaalsContact CD1-CD2 3.46Å; W510-L514 HydrophobicContact CD2-CD2 4.48Å; W510-L514 HydrophobicContact CG-CD2 4.05Å |
| 515 | F | 97.1 | Very high | 97.2 | Very high | 12 Ų | 12 | 24.3 Ų | 24.3 | 5% | 0.053 | 15% | 0.154 | C | C | . | . | trans | -74.5 | 126.5 | -177.1 | -175.1 | -100.2 | 0 | 0 | 0 | 111.3 | E513 E517 A837 R838 V841 | E513-F515 HydrophobicContact CG-CB 4.38Å; F515-E517 HydrophobicContact CD1-CG 4.28Å; F515-E517 HydrophobicContact CE1-CG 4.37Å; F515-A837 HydrophobicContact CE1-CB 4.48Å; F515-R838 HydrophobicContact CD1-CG 3.96Å; F515-R838 HydrophobicContact CD2-CG 4.49Å; F515-R838 HydrophobicContact CE1-CG 3.73Å; F515-R838 HydrophobicContact CE2-CG 4.31Å; F515-R838 HydrophobicContact CG-CG 4.34Å; F515-R838 HydrophobicContact CZ-CG 3.93Å; F515-V841 HydrophobicContact CE2-CG1 4.25Å | ||
| 516 | L | 96.9 | Very high | 97.3 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 12% | 0.117 | C | C | . | . | trans | -90.5 | 126.7 | 171.5 | -179.7 | 67.7 | 0 | 0 | 0 | 108.9 | F374 K396 L397 L518 N520 | F374-L516 HydrophobicContact CB-CD2 4.07Å; K396-L516 HydrophobicContact CG-CD1 4.36Å; K396-L516 HydrophobicContact CG-CD2 3.86Å; K396-L516 VanDerWaalsContact O-CD1 3.28Å; K396-L516 WeakPolarHBondContact O-CD1 3.14Å; L397-L516 HydrophobicContact CD2-CB 4.15Å; L397-L516 HydrophobicContact CD2-CD1 4.28Å; L516-L518 HydrophobicContact CD1-CB 4.5Å; L516-L518 WeakPolarHBondContact CD2-O 3.27Å; L516-L518 HydrophobicContact CG-CB 4.25Å; L516-L518 WeakPolarHBondContact CG-O 3.21Å; L516-L518 PolarHBondContact O-N 3.13Å; L516-N520 PolarHBondContact O-OD1 2.98Å | ||
| 517 | E | 95.1 | Very high | 97.4 | Very high | 11 Ų | 11 | 16.4 Ų | 16.4 | 5% | 0.051 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -80.4 | 6.6 | -177 | -57.1 | -177.2 | 168.8 | 0 | 0 | 114.2 | N400 V402 N403 F515 A837 | N400-E517 HydrophobicContact CB-CB 4.25Å; N400-E517 HydrophobicContact CB-CG 4.08Å; N400-E517 PolarHBondContact OD1-N 2.88Å; V402-E517 WeakPolarHBondContact CA-OE2 3.47Å; V402-E517 WeakPolarHBondContact CB-OE2 3.23Å; V402-E517 PolarHBondContact N-OE2 3.18Å; N403-E517 WeakPolarHBondContact CB-OE1 3.4Å; N403-E517 PolarHBondContact N-OE2 2.79Å; N403-E517 PolarHBondContact ND2-OE1 3.34Å; F515-E517 HydrophobicContact CD1-CG 4.28Å; F515-E517 HydrophobicContact CE1-CG 4.37Å; E517-A837 HydrophobicContact CB-CB 4.19Å; E517-A837 HydrophobicContact CG-CB 3.71Å |
| 518 | L | 94.6 | Very high | 97.5 | Very high | 9 Ų | 9 | 19.2 Ų | 19.2 | 5% | 0.047 | 11% | 0.106 | C | C | . | . | S | Bend | trans | -132.5 | 159.1 | -172 | -165.4 | 72.1 | 0 | 0 | 0 | 108.6 | W399 L516 N520 W727 D731 | W399-L518 HydrophobicContact CB-CD2 4.22Å; W399-L518 HydrophobicContact CE3-CD2 4.04Å; L516-L518 HydrophobicContact CD1-CB 4.5Å; L516-L518 WeakPolarHBondContact CD2-O 3.27Å; L516-L518 HydrophobicContact CG-CB 4.25Å; L516-L518 WeakPolarHBondContact CG-O 3.21Å; L516-L518 PolarHBondContact O-N 3.13Å; L518-N520 VanDerWaalsContact C-N 3.28Å; L518-N520 PolarHBondContact O-N 3.15Å; L518-W727 HydrophobicContact CD2-CE3 4.34Å; L518-W727 HydrophobicContact CD2-CZ3 3.81Å; L518-D731 WeakPolarHBondContact CD1-OD1 3.21Å; L518-D731 WeakPolarHBondContact CG-OD1 3.35Å |
| 519 | H | 97.3 | Very high | 97.5 | Very high | 5 Ų | 5 | 17.6 Ų | 17.6 | 2% | 0.023 | 10% | 0.095 | C | C | . | . | trans | 64.7 | 23.5 | -179.3 | -50.7 | 165.8 | 0 | 0 | 0 | 115.2 | F374 G521 T522 W727 W730 D731 | F374-H519 HydrophobicContact CB-CB 4.25Å; F374-H519 AromaticContact CD1-ND1 3.24Å; F374-H519 WeakPolarHBondContact CD1-ND1 3.36Å; F374-H519 HydrophobicContact CD2-CB 4.38Å; F374-H519 AromaticContact CE1-CE1 3.9Å; F374-H519 AromaticContact CE1-ND1 3.5Å; F374-H519 WeakPolarHBondContact CE1-ND1 3.41Å; F374-H519 HydrophobicContact CG-CB 4.15Å; F374-H519 AromaticContact CG-ND1 3.62Å; H519-G521 PolarHBondContact O-N 3.35Å; H519-T522 HydrophobicContact CB-CG2 4.04Å; H519-T522 WeakPolarHBondContact O-CB 3.27Å; H519-T522 VanDerWaalsContact O-CG2 3.28Å; H519-T522 WeakPolarHBondContact O-CG2 3.42Å; H519-T522 PolarHBondContact O-N 2.96Å; H519-T522 VanDerWaalsContact O-N 3.16Å; H519-T522 PolarHBondContact O-OG1 3.28Å; H519-W727 AromaticContact NE2-CE3 3.84Å; H519-W730 CarbonylContact C-O 3.43Å; H519-W730 WeakPolarHBondContact CA-O 3.31Å; H519-W730 HydrophobicContact CB-CB 4.07Å; H519-W730 VanDerWaalsContact CD2-CB 3.49Å; H519-W730 WeakPolarHBondContact CD2-CB 3.23Å; H519-W730 AromaticContact CD2-CD1 3.8Å; H519-W730 AromaticContact CD2-CG 3.93Å; H519-W730 AromaticContact CE1-CD1 3.84Å; H519-W730 AromaticContact CG-CD1 3.67Å; H519-W730 AromaticContact ND1-CD1 3.69Å; H519-W730 AromaticContact NE2-CD1 3.95Å; H519-D731 WeakPolarHBondContact CA-OD1 3.36Å; H519-D731 IonicContact CD2-OD1 3.38Å; H519-D731 PolarHBondContact CD2-OD1 3.16Å; H519-D731 PolarHBondContact N-OD1 2.66Å | ||
| 520 | N | 95.9 | Very high | 97.6 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.005 | 8% | 0.078 | C | C | . | . | G | 310 helix | trans | -67.9 | -13.4 | -179.9 | -64.5 | -26.3 | 0 | 0 | 0 | 114.1 | L516 L518 T522 Y523 V732 E840 | L516-N520 PolarHBondContact O-OD1 2.98Å; L518-N520 VanDerWaalsContact C-N 3.28Å; L518-N520 PolarHBondContact O-N 3.15Å; N520-T522 VanDerWaalsContact C-N 3.26Å; N520-T522 PolarHBondContact O-N 2.69Å; N520-Y523 HydrophobicContact CB-CD2 4.49Å; N520-Y523 HydrophobicContact CB-CE2 3.94Å; N520-Y523 WeakPolarHBondContact O-CD2 3.49Å; N520-Y523 PolarHBondContact OD1-OH 2.87Å; N520-Y523 VanDerWaalsContact OD1-OH 3.11Å; N520-V732 HydrophobicContact CB-CG1 3.77Å; N520-E840 HydrophobicContact CB-CB 4.16Å; N520-E840 HydrophobicContact CB-CG 4.27Å |
| 521 | G | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.08 | C | C | . | . | G | 310 helix | trans | -70.3 | -24 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | H519 Y523 T524 T525 W730 R879 | H519-G521 PolarHBondContact O-N 3.35Å; G521-Y523 PolarHBondContact O-N 3.42Å; G521-Y523 VanDerWaalsContact O-N 3.11Å; G521-T524 PolarHBondContact O-N 2.82Å; G521-T525 PolarHBondContact O-N 3.08Å; G521-T525 VanDerWaalsContact O-N 3.13Å; G521-T525 PolarHBondContact O-OG1 3.16Å; G521-W730 CarbonylContact C-O 3.53Å; G521-W730 WeakPolarHBondContact CA-O 3.38Å; G521-W730 PolarHBondContact N-O 2.87Å; G521-R879 WeakPolarHBondContact O-CD 3.41Å |
| 522 | T | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.006 | 6% | 0.055 | C | C | . | . | G | 310 helix | trans | -62.4 | -18.4 | -179.9 | 64 | 0 | 0 | 0 | 0 | 114.4 | F374 H519 N520 T524 K530 P581 W730 | F374-T522 HydrophobicContact CD2-CG2 3.98Å; F374-T522 HydrophobicContact CE2-CG2 4.36Å; H519-T522 HydrophobicContact CB-CG2 4.04Å; H519-T522 WeakPolarHBondContact O-CB 3.27Å; H519-T522 VanDerWaalsContact O-CG2 3.28Å; H519-T522 WeakPolarHBondContact O-CG2 3.42Å; H519-T522 PolarHBondContact O-N 2.96Å; H519-T522 VanDerWaalsContact O-N 3.16Å; H519-T522 PolarHBondContact O-OG1 3.28Å; N520-T522 VanDerWaalsContact C-N 3.26Å; N520-T522 PolarHBondContact O-N 2.69Å; T522-T524 PolarHBondContact O-N 2.88Å; T522-K530 WeakPolarHBondContact O-CE 3.28Å; T522-K530 PolarHBondContact O-NZ 3.2Å; T522-P581 WeakPolarHBondContact CA-O 3.13Å; T522-P581 WeakPolarHBondContact CB-O 3.3Å; T522-P581 HydrophobicContact CG2-CB 4.01Å; T522-P581 VanDerWaalsContact O-O 3.04Å; T522-W730 HydrophobicContact CG2-CB 4.16Å; T522-W730 HydrophobicContact CG2-CG 4.22Å; T522-W730 PolarHBondContact N-O 3.24Å |
| 523 | Y | 98.4 | Very high | 97.7 | Very high | 5 Ų | 5 | 10.7 Ų | 10.7 | 2% | 0.02 | 5% | 0.048 | C | C | . | . | G | 310 helix | trans | -67.3 | -18.3 | 173.6 | -47.9 | -28.6 | 0 | 0 | 0 | 112.6 | L340 N520 G521 E840 W842 | L340-Y523 HydrophobicContact CD2-CD1 4.41Å; N520-Y523 HydrophobicContact CB-CD2 4.49Å; N520-Y523 HydrophobicContact CB-CE2 3.94Å; N520-Y523 WeakPolarHBondContact O-CD2 3.49Å; N520-Y523 PolarHBondContact OD1-OH 2.87Å; N520-Y523 VanDerWaalsContact OD1-OH 3.11Å; G521-Y523 PolarHBondContact O-N 3.42Å; G521-Y523 VanDerWaalsContact O-N 3.11Å; Y523-E840 HydrophobicContact CD2-CG 4.12Å; Y523-W842 HydrophobicContact CD1-CB 3.86Å; Y523-W842 HydrophobicContact CD2-CB 4Å; Y523-W842 HydrophobicContact CE1-CB 3.85Å; Y523-W842 HydrophobicContact CE1-CG 4.47Å; Y523-W842 HydrophobicContact CE2-CB 3.98Å; Y523-W842 HydrophobicContact CG-CB 3.94Å |
| 524 | T | 98.7 | Very high | 97.7 | Very high | 4 Ų | 4 | 10.3 Ų | 10.3 | 3% | 0.025 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | -40.2 | -172.7 | -49 | 0 | 0 | 0 | 0 | 114.4 | G521 T522 F801 S876 R879 | G521-T524 PolarHBondContact O-N 2.82Å; T522-T524 PolarHBondContact O-N 2.88Å; T524-F801 HydrophobicContact CG2-CE2 3.79Å; T524-F801 HydrophobicContact CG2-CZ 4.25Å; T524-S876 VanDerWaalsContact OG1-CB 3.31Å; T524-S876 WeakPolarHBondContact OG1-CB 3.31Å; T524-R879 HydrophobicContact CG2-CG 3.98Å |
| 525 | T | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.061 | C | C | . | . | S | Bend | trans | -51.7 | 146.9 | 179.6 | -60.6 | 0 | 0 | 0 | 0 | 111.3 | G521 K530 G582 A729 R879 P881 | G521-T525 PolarHBondContact O-N 3.08Å; G521-T525 VanDerWaalsContact O-N 3.13Å; G521-T525 PolarHBondContact O-OG1 3.16Å; T525-K530 WeakPolarHBondContact O-CD 3.14Å; T525-K530 WeakPolarHBondContact O-CE 3.34Å; T525-K530 PolarHBondContact O-NZ 3.43Å; T525-G582 WeakPolarHBondContact CG2-O 3.28Å; T525-A729 HydrophobicContact CG2-CB 3.99Å; T525-A729 PolarHBondContact OG1-O 2.86Å; T525-R879 WeakPolarHBondContact OG1-CD 3.38Å; T525-R879 PolarHBondContact OG1-NE 2.67Å; T525-R879 VanDerWaalsContact OG1-NE 3.07Å; T525-P881 HydrophobicContact CG2-CG 3.68Å |
| 526 | E | 98.2 | Very high | 97.8 | Very high | 10 Ų | 10 | 12.8 Ų | 12.8 | 5% | 0.047 | 6% | 0.058 | C | C | . | . | S | Bend | trans | 53.6 | 53.7 | -176.7 | -65.8 | -54.7 | 144.7 | 0 | 0 | 112.7 | Q528 I529 K530 V589 A888 D889 | E526-Q528 PolarHBondContact O-N 2.81Å; E526-Q528 VanDerWaalsContact O-N 3.09Å; E526-I529 HydrophobicContact CB-CB 4.23Å; E526-I529 HydrophobicContact CB-CG1 4.05Å; E526-I529 WeakPolarHBondContact O-CB 3.39Å; E526-I529 PolarHBondContact O-N 3.32Å; E526-K530 WeakPolarHBondContact O-CD 3.4Å; E526-K530 PolarHBondContact O-N 2.81Å; E526-V589 HydrophobicContact CG-CG2 4.07Å; E526-V589 WeakPolarHBondContact OE2-CG1 3.45Å; E526-A888 VanDerWaalsContact OE1-CA 3.28Å; E526-A888 WeakPolarHBondContact OE1-CA 3.45Å; E526-A888 WeakPolarHBondContact OE1-CB 3.34Å; E526-D889 VanDerWaalsContact CA-OD1 3.26Å; E526-D889 WeakPolarHBondContact CA-OD1 3.29Å; E526-D889 PolarHBondContact N-OD1 3.4Å; E526-D889 PolarHBondContact N-OD2 3.07Å |
| 527 | A | 98.3 | Very high | 97.9 | Very high | 3 Ų | 3 | 13.1 Ų | 13.1 | 3% | 0.025 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -58.3 | -26.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | R531 L878 D889 | A527-R531 WeakPolarHBondContact O-CB 3.14Å; A527-R531 PolarHBondContact O-N 3.37Å; A527-R531 VanDerWaalsContact O-N 3.08Å; A527-L878 HydrophobicContact CB-CD2 3.61Å; A527-D889 PolarHBondContact N-OD1 2.72Å |
| 528 | Q | 97.9 | Very high | 98.1 | Very high | 79 Ų | 79 | 12.9 Ų | 12.9 | 37% | 0.369 | 6% | 0.059 | S | C | . | . | H | α-helix | trans | -66.9 | -45.2 | 175.1 | -166.2 | 174.9 | -2.6 | 0 | 0 | 111.6 | E526 K530 R531 E532 L593 | E526-Q528 PolarHBondContact O-N 2.81Å; E526-Q528 VanDerWaalsContact O-N 3.09Å; Q528-K530 VanDerWaalsContact C-N 3.3Å; Q528-K530 PolarHBondContact O-N 3.01Å; Q528-R531 PolarHBondContact O-N 2.85Å; Q528-E532 HydrophobicContact CG-CG 4.2Å; Q528-E532 WeakPolarHBondContact O-CB 3.38Å; Q528-E532 WeakPolarHBondContact O-CG 3.12Å; Q528-E532 PolarHBondContact O-N 3.07Å; Q528-L593 HydrophobicContact CB-CD2 4.37Å; Q528-L593 HydrophobicContact CG-CD2 3.71Å |
| 529 | I | 98.4 | Very high | 98.3 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 1% | 0.01 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -56.9 | -45.2 | 176.1 | -65.9 | -67 | 0 | 0 | 0 | 110.8 | E526 R531 E532 N533 V589 A592 L593 Y596 | E526-I529 HydrophobicContact CB-CB 4.23Å; E526-I529 HydrophobicContact CB-CG1 4.05Å; E526-I529 WeakPolarHBondContact O-CB 3.39Å; E526-I529 PolarHBondContact O-N 3.32Å; I529-R531 PolarHBondContact O-N 3Å; I529-E532 PolarHBondContact O-N 3.38Å; I529-N533 WeakPolarHBondContact O-CB 3.07Å; I529-N533 PolarHBondContact O-N 2.56Å; I529-V589 HydrophobicContact CD1-CG1 4.22Å; I529-V589 HydrophobicContact CG1-CG1 4.22Å; I529-A592 HydrophobicContact CD1-CB 3.6Å; I529-L593 HydrophobicContact CD1-CD2 3.91Å; I529-L593 HydrophobicContact CD1-CG 4.02Å; I529-Y596 HydrophobicContact CD1-CD2 4.44Å; I529-Y596 HydrophobicContact CD1-CE2 3.93Å; I529-Y596 HydrophobicContact CG2-CE2 4.17Å |
| 530 | K | 98.8 | Very high | 98.3 | Very high | 3 Ų | 3 | 13 Ų | 13 | 1% | 0.013 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.6 | -44.1 | 178.6 | -81.6 | 77.9 | 173.3 | 160.5 | 0 | 112.3 | L340 T522 T525 E526 Q528 R534 I580 P581 Y864 | L340-K530 HydrophobicContact CD1-CG 4.43Å; T522-K530 WeakPolarHBondContact O-CE 3.28Å; T522-K530 PolarHBondContact O-NZ 3.2Å; T525-K530 WeakPolarHBondContact O-CD 3.14Å; T525-K530 WeakPolarHBondContact O-CE 3.34Å; T525-K530 PolarHBondContact O-NZ 3.43Å; E526-K530 WeakPolarHBondContact O-CD 3.4Å; E526-K530 PolarHBondContact O-N 2.81Å; Q528-K530 VanDerWaalsContact C-N 3.3Å; Q528-K530 PolarHBondContact O-N 3.01Å; K530-R534 PolarHBondContact O-N 3.37Å; K530-I580 WeakPolarHBondContact CD-O 3.45Å; K530-I580 WeakPolarHBondContact CE-O 3.28Å; K530-I580 PolarHBondContact NZ-O 3.01Å; K530-P581 PolarHBondContact NZ-O 3.16Å; K530-Y864 HydrophobicContact CB-CD2 3.98Å; K530-Y864 HydrophobicContact CB-CE2 3.81Å; K530-Y864 HydrophobicContact CG-CD2 3.78Å; K530-Y864 HydrophobicContact CG-CE2 3.95Å |
| 531 | R | 98.4 | Very high | 98.5 | Very high | 60 Ų | 60 | 13.8 Ų | 13.8 | 23% | 0.226 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63 | -48.4 | 177.1 | 178.3 | -178.4 | 173.2 | -132.8 | 3.2 | 111 | A527 Q528 I529 R534 Q535 Q894 | A527-R531 WeakPolarHBondContact O-CB 3.14Å; A527-R531 PolarHBondContact O-N 3.37Å; A527-R531 VanDerWaalsContact O-N 3.08Å; Q528-R531 PolarHBondContact O-N 2.85Å; I529-R531 PolarHBondContact O-N 3Å; R531-R534 PolarHBondContact O-N 3.49Å; R531-Q535 HydrophobicContact CG-CG 4.49Å; R531-Q535 WeakPolarHBondContact O-CB 3.32Å; R531-Q535 VanDerWaalsContact O-CG 3.32Å; R531-Q535 WeakPolarHBondContact O-CG 3.4Å; R531-Q535 PolarHBondContact O-N 3.23Å; R531-Q894 VanDerWaalsContact CD-O 3.29Å; R531-Q894 WeakPolarHBondContact CD-O 3.42Å; R531-Q894 PolarHBondContact NE-O 3.29Å; R531-Q894 VanDerWaalsContact NE-O 3.16Å |
| 532 | E | 98.6 | Very high | 98.5 | Very high | 3 Ų | 3 | 13.8 Ų | 13.8 | 1% | 0.014 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.8 | -39.6 | -178.7 | -67.3 | -61.1 | 169 | 0 | 0 | 112 | Q528 I529 Q535 C536 L593 Y596 R600 | Q528-E532 HydrophobicContact CG-CG 4.2Å; Q528-E532 WeakPolarHBondContact O-CB 3.38Å; Q528-E532 WeakPolarHBondContact O-CG 3.12Å; Q528-E532 PolarHBondContact O-N 3.07Å; I529-E532 PolarHBondContact O-N 3.38Å; E532-Q535 PolarHBondContact O-N 3.04Å; E532-C536 VanDerWaalsContact O-CB 3.31Å; E532-C536 WeakPolarHBondContact O-CB 3.3Å; E532-C536 PolarHBondContact O-N 2.87Å; E532-C536 PolarHBondContact O-SG 3.32Å; E532-L593 HydrophobicContact CG-CD2 4.07Å; E532-Y596 HydrophobicContact CB-CD1 4.07Å; E532-Y596 HydrophobicContact CB-CD2 3.43Å; E532-Y596 VanDerWaalsContact CB-CD2 3.43Å; E532-Y596 HydrophobicContact CB-CE1 4.45Å; E532-Y596 HydrophobicContact CB-CE2 3.88Å; E532-Y596 HydrophobicContact CB-CG 3.54Å; E532-Y596 HydrophobicContact CG-CD2 4.24Å; E532-Y596 HydrophobicContact CG-CG 4.46Å; E532-R600 VanDerWaalsContact CD-NH2 3.33Å; E532-R600 IonicContact OE1-CZ 3.28Å; E532-R600 VanDerWaalsContact OE1-CZ 3.27Å; E532-R600 IonicContact OE1-NH1 2.94Å; E532-R600 PolarHBondContact OE1-NH1 2.79Å; E532-R600 IonicContact OE1-NH2 2.75Å; E532-R600 PolarHBondContact OE1-NH2 2.76Å; E532-R600 VanDerWaalsContact OE1-NH2 3.14Å; E532-R600 IonicContact OE2-CZ 3.85Å; E532-R600 IonicContact OE2-NE 2.73Å; E532-R600 PolarHBondContact OE2-NE 2.79Å; E532-R600 IonicContact OE2-NH1 2.69Å; E532-R600 PolarHBondContact OE2-NH1 2.78Å; E532-R600 IonicContact OE2-NH2 2.81Å; E532-R600 PolarHBondContact OE2-NH2 3.23Å |
| 533 | N | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -55.1 | -55.8 | 171.7 | -177.8 | 76.5 | 0 | 0 | 0 | 111.1 | I529 Q535 C536 E537 L571 Q575 I580 Y596 | I529-N533 WeakPolarHBondContact O-CB 3.07Å; I529-N533 PolarHBondContact O-N 2.56Å; N533-Q535 VanDerWaalsContact C-N 3.32Å; N533-Q535 PolarHBondContact O-N 3.39Å; N533-C536 PolarHBondContact O-N 2.9Å; N533-C536 VanDerWaalsContact O-N 3.16Å; N533-E537 VanDerWaalsContact ND2-CD 3.27Å; N533-E537 PolarHBondContact ND2-OE1 3Å; N533-E537 PolarHBondContact ND2-OE2 2.88Å; N533-E537 WeakPolarHBondContact O-CG 3.45Å; N533-E537 PolarHBondContact O-N 3.31Å; N533-L571 WeakPolarHBondContact OD1-CD1 3.17Å; N533-Q575 WeakPolarHBondContact OD1-CG 3.3Å; N533-Q575 PolarHBondContact OD1-NE2 3.2Å; N533-I580 HydrophobicContact CB-CD1 3.91Å; N533-I580 VanDerWaalsContact CG-CD1 3.44Å; N533-Y596 HydrophobicContact CB-CE1 4.22Å; N533-Y596 WeakPolarHBondContact CB-OH 3.46Å |
| 534 | R | 98.6 | Very high | 98.5 | Very high | 6 Ų | 6 | 13.8 Ų | 13.8 | 2% | 0.023 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -63.8 | -37.9 | -176.3 | -165.7 | 173.7 | -61.5 | 171.6 | -2.9 | 112.5 | K530 R531 T538 H844 N860 D861 Y864 N919 | K530-R534 PolarHBondContact O-N 3.37Å; R531-R534 PolarHBondContact O-N 3.49Å; R534-T538 WeakPolarHBondContact O-CB 3.15Å; R534-T538 PolarHBondContact O-N 2.87Å; R534-T538 PolarHBondContact O-OG1 2.78Å; R534-H844 PolarHBondContact NH1-O 2.81Å; R534-H844 PolarHBondContact NH2-O 3.39Å; R534-N860 PolarHBondContact NH1-O 3.06Å; R534-N860 PolarHBondContact NH1-OD1 3.42Å; R534-D861 WeakPolarHBondContact CD-O 3.46Å; R534-D861 VanDerWaalsContact NH1-C 3.25Å; R534-Y864 PolarHBondContact NE-OH 3.38Å; R534-Y864 PolarHBondContact NH2-OH 2.82Å; R534-N919 WeakPolarHBondContact CD-OD1 3.22Å; R534-N919 PolarHBondContact NH1-OD1 2.76Å |
| 535 | Q | 98.4 | Very high | 98.5 | Very high | 66 Ų | 66 | 13.6 Ų | 13.6 | 31% | 0.308 | 6% | 0.062 | S | C | . | . | H | α-helix | trans | -65.7 | -39.9 | 176.1 | -73.2 | -174.1 | -4.1 | 0 | 0 | 112 | R531 E532 N533 T538 L539 | R531-Q535 HydrophobicContact CG-CG 4.49Å; R531-Q535 WeakPolarHBondContact O-CB 3.32Å; R531-Q535 VanDerWaalsContact O-CG 3.32Å; R531-Q535 WeakPolarHBondContact O-CG 3.4Å; R531-Q535 PolarHBondContact O-N 3.23Å; E532-Q535 PolarHBondContact O-N 3.04Å; N533-Q535 VanDerWaalsContact C-N 3.32Å; N533-Q535 PolarHBondContact O-N 3.39Å; Q535-T538 PolarHBondContact O-N 2.94Å; Q535-L539 VanDerWaalsContact O-CB 3.32Å; Q535-L539 WeakPolarHBondContact O-CB 3.38Å; Q535-L539 PolarHBondContact O-N 2.78Å |
| 536 | C | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -71.2 | -38.8 | 177.2 | -69.6 | 0 | 0 | 0 | 0 | 112.2 | E532 N533 T538 L539 L540 L571 Y596 I599 | E532-C536 VanDerWaalsContact O-CB 3.31Å; E532-C536 WeakPolarHBondContact O-CB 3.3Å; E532-C536 PolarHBondContact O-N 2.87Å; E532-C536 PolarHBondContact O-SG 3.32Å; N533-C536 PolarHBondContact O-N 2.9Å; N533-C536 VanDerWaalsContact O-N 3.16Å; C536-T538 VanDerWaalsContact C-N 3.34Å; C536-T538 PolarHBondContact O-N 2.81Å; C536-L539 PolarHBondContact O-N 2.93Å; C536-L540 WeakPolarHBondContact O-CB 3.5Å; C536-L540 WeakPolarHBondContact O-CG 3.37Å; C536-L540 PolarHBondContact O-N 2.87Å; C536-L571 HydrophobicContact CB-CD1 3.91Å; C536-Y596 HydrophobicContact CB-CD1 4.23Å; C536-I599 HydrophobicContact CB-CG2 3.94Å |
| 537 | E | 98.8 | Very high | 98.4 | Very high | 7 Ų | 7 | 13.1 Ų | 13.1 | 3% | 0.033 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -56.5 | -48.9 | 170.8 | -73.6 | 177.7 | 140.9 | 0 | 0 | 111.2 | S342 S345 N533 L539 L540 H541 L571 Q575 | S342-E537 VanDerWaalsContact CB-OE1 3.23Å; S342-E537 WeakPolarHBondContact CB-OE1 3.44Å; S342-E537 PolarHBondContact N-OE1 3.41Å; S342-E537 VanDerWaalsContact OG-CD 3.24Å; S342-E537 PolarHBondContact OG-OE1 2.66Å; S345-E537 VanDerWaalsContact CB-OE1 3.31Å; S345-E537 WeakPolarHBondContact CB-OE1 3.39Å; S345-E537 PolarHBondContact OG-OE1 2.84Å; N533-E537 VanDerWaalsContact ND2-CD 3.27Å; N533-E537 PolarHBondContact ND2-OE1 3Å; N533-E537 PolarHBondContact ND2-OE2 2.88Å; N533-E537 WeakPolarHBondContact O-CG 3.45Å; N533-E537 PolarHBondContact O-N 3.31Å; E537-L539 PolarHBondContact O-N 2.95Å; E537-L540 PolarHBondContact O-N 2.84Å; E537-H541 WeakPolarHBondContact O-CB 3.24Å; E537-H541 PolarHBondContact O-N 3.26Å; E537-L571 HydrophobicContact CG-CD2 3.78Å; E537-Q575 PolarHBondContact OE1-NE2 2.85Å |
| 538 | T | 98.3 | Very high | 98.3 | Very high | 6 Ų | 6 | 13 Ų | 13 | 4% | 0.037 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -61.3 | -43.3 | 177.4 | -57.2 | 0 | 0 | 0 | 0 | 111.5 | R534 Q535 C536 D542 N919 Y920 | R534-T538 WeakPolarHBondContact O-CB 3.15Å; R534-T538 PolarHBondContact O-N 2.87Å; R534-T538 PolarHBondContact O-OG1 2.78Å; Q535-T538 PolarHBondContact O-N 2.94Å; C536-T538 VanDerWaalsContact C-N 3.34Å; C536-T538 PolarHBondContact O-N 2.81Å; T538-D542 PolarHBondContact O-N 2.81Å; T538-N919 WeakPolarHBondContact CG2-O 3.42Å; T538-Y920 HydrophobicContact CG2-CD1 3.59Å; T538-Y920 HydrophobicContact CG2-CD2 4.46Å; T538-Y920 HydrophobicContact CG2-CE1 3.97Å; T538-Y920 HydrophobicContact CG2-CG 3.86Å |
| 539 | L | 98.6 | Very high | 98.2 | Very high | 16 Ų | 16 | 9.2 Ų | 9.2 | 8% | 0.084 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -64.9 | -47.3 | 179.2 | 176.4 | 60.8 | 0 | 0 | 0 | 111.6 | Q535 C536 E537 D542 I543 R600 L607 | Q535-L539 VanDerWaalsContact O-CB 3.32Å; Q535-L539 WeakPolarHBondContact O-CB 3.38Å; Q535-L539 PolarHBondContact O-N 2.78Å; C536-L539 PolarHBondContact O-N 2.93Å; E537-L539 PolarHBondContact O-N 2.95Å; L539-D542 PolarHBondContact O-N 3.13Å; L539-I543 HydrophobicContact CD1-CD1 3.94Å; L539-I543 HydrophobicContact CD1-CG1 4.19Å; L539-I543 HydrophobicContact CG-CD1 3.74Å; L539-I543 HydrophobicContact CG-CG1 4.45Å; L539-I543 WeakPolarHBondContact O-CD1 3.12Å; L539-I543 WeakPolarHBondContact O-CG1 3.22Å; L539-I543 PolarHBondContact O-N 3.17Å; L539-R600 HydrophobicContact CD2-CB 4.49Å; L539-R600 HydrophobicContact CD2-CG 4.24Å; L539-L607 HydrophobicContact CD1-CD2 3.97Å |
| 540 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -64.5 | -40.4 | 178.9 | -69.5 | 178 | 0 | 0 | 0 | 111.7 | C536 E537 D542 I543 E544 L564 L567 W568 L571 I599 | C536-L540 WeakPolarHBondContact O-CB 3.5Å; C536-L540 WeakPolarHBondContact O-CG 3.37Å; C536-L540 PolarHBondContact O-N 2.87Å; E537-L540 PolarHBondContact O-N 2.84Å; L540-D542 VanDerWaalsContact C-N 3.35Å; L540-D542 PolarHBondContact O-N 3.01Å; L540-I543 HydrophobicContact CD2-CD1 4.13Å; L540-I543 PolarHBondContact O-N 3.3Å; L540-E544 WeakPolarHBondContact O-CG 3.37Å; L540-E544 PolarHBondContact O-N 3.32Å; L540-L564 HydrophobicContact CD2-CD2 4.23Å; L540-L567 HydrophobicContact CD2-CB 3.8Å; L540-L567 HydrophobicContact CD2-CD1 4.16Å; L540-W568 HydrophobicContact CB-CH2 4.26Å; L540-W568 HydrophobicContact CB-CZ2 3.74Å; L540-W568 HydrophobicContact CD1-CD2 3.68Å; L540-W568 HydrophobicContact CD1-CE3 3.89Å; L540-W568 HydrophobicContact CD1-CG 4.08Å; L540-W568 HydrophobicContact CD1-CH2 4.47Å; L540-W568 HydrophobicContact CD1-CZ2 4.3Å; L540-W568 HydrophobicContact CD1-CZ3 4.28Å; L540-L571 HydrophobicContact CD1-CB 4.24Å; L540-L571 HydrophobicContact CD1-CD2 3.64Å; L540-I599 HydrophobicContact CD1-CG2 4.44Å; L540-I599 HydrophobicContact CD2-CG2 4.3Å; L540-I599 HydrophobicContact CG-CG2 4.3Å |
| 541 | H | 98.5 | Very high | 97.7 | Very high | 19 Ų | 19 | 11.1 Ų | 11.1 | 9% | 0.088 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -53.3 | -51.5 | 170.2 | 167.5 | -85.4 | 0 | 0 | 0 | 111.7 | E537 I543 E544 A545 Y920 E947 | E537-H541 WeakPolarHBondContact O-CB 3.24Å; E537-H541 PolarHBondContact O-N 3.26Å; H541-I543 PolarHBondContact O-N 2.89Å; H541-E544 PolarHBondContact O-N 3.41Å; H541-A545 WeakPolarHBondContact O-CB 3.43Å; H541-A545 PolarHBondContact O-N 2.88Å; H541-Y920 HydrophobicContact CB-CE1 4.08Å; H541-Y920 AromaticContact CE1-CE1 3.94Å; H541-Y920 AromaticContact CG-CE1 3.67Å; H541-Y920 AromaticContact ND1-CD1 3.69Å; H541-Y920 AromaticContact ND1-CE1 3.49Å; H541-Y920 WeakPolarHBondContact ND1-CE1 3.44Å; H541-E947 PolarHBondContact CD2-O 2.9Å; H541-E947 PolarHBondContact NE2-O 2.9Å; H541-E947 VanDerWaalsContact NE2-O 3.1Å |
| 542 | D | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -66.3 | -37.2 | -177.6 | -67.6 | -15.6 | 0 | 0 | 0 | 112.4 | T538 L539 L540 A546 L607 S626 R923 | T538-D542 PolarHBondContact O-N 2.81Å; L539-D542 PolarHBondContact O-N 3.13Å; L540-D542 VanDerWaalsContact C-N 3.35Å; L540-D542 PolarHBondContact O-N 3.01Å; D542-A546 VanDerWaalsContact O-CB 3.25Å; D542-A546 WeakPolarHBondContact O-CB 3.35Å; D542-A546 PolarHBondContact O-N 2.63Å; D542-L607 HydrophobicContact CB-CD1 4.3Å; D542-S626 WeakPolarHBondContact OD1-CB 3.27Å; D542-S626 PolarHBondContact OD1-OG 3.33Å; D542-R923 IonicContact OD2-CZ 2.72Å; D542-R923 IonicContact OD2-NE 2.68Å; D542-R923 PolarHBondContact OD2-NE 2.96Å; D542-R923 IonicContact OD2-NH2 2.62Å; D542-R923 PolarHBondContact OD2-NH2 3.28Å |
| 543 | I | 98.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 15 Ų | 15 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.4 | -47.2 | 175.9 | -65 | 156 | 0 | 0 | 0 | 110.2 | L539 L540 H541 A546 S547 L564 G603 L606 L607 | L539-I543 HydrophobicContact CD1-CD1 3.94Å; L539-I543 HydrophobicContact CD1-CG1 4.19Å; L539-I543 HydrophobicContact CG-CD1 3.74Å; L539-I543 HydrophobicContact CG-CG1 4.45Å; L539-I543 WeakPolarHBondContact O-CD1 3.12Å; L539-I543 WeakPolarHBondContact O-CG1 3.22Å; L539-I543 PolarHBondContact O-N 3.17Å; L540-I543 HydrophobicContact CD2-CD1 4.13Å; L540-I543 PolarHBondContact O-N 3.3Å; H541-I543 PolarHBondContact O-N 2.89Å; I543-A546 PolarHBondContact O-N 3.19Å; I543-S547 WeakPolarHBondContact O-CB 3.46Å; I543-S547 PolarHBondContact O-N 3.43Å; I543-S547 PolarHBondContact O-OG 2.8Å; I543-L564 HydrophobicContact CB-CD2 4.35Å; I543-L564 HydrophobicContact CG2-CD1 4.49Å; I543-L564 HydrophobicContact CG2-CD2 3.75Å; I543-L564 HydrophobicContact CG2-CG 4.48Å; I543-G603 WeakPolarHBondContact CD1-O 3.24Å; I543-L606 HydrophobicContact CG2-CB 3.7Å; I543-L606 HydrophobicContact CG2-CD1 4.43Å; I543-L607 HydrophobicContact CG1-CB 3.75Å; I543-L607 HydrophobicContact CG1-CD1 4.37Å |
| 544 | E | 98.1 | Very high | 96.3 | Very high | 5 Ų | 5 | 15.8 Ų | 15.8 | 2% | 0.023 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.5 | -42.1 | -178.8 | -71.4 | -170.1 | 144.2 | 0 | 0 | 111.7 | R348 L540 H541 S547 S548 Y559 L564 W568 I949 K950 | R348-E544 IonicContact CZ-OE1 3.93Å; R348-E544 IonicContact CZ-OE2 2.79Å; R348-E544 IonicContact NH1-OE1 3.09Å; R348-E544 PolarHBondContact NH1-OE1 3.45Å; R348-E544 IonicContact NH1-OE2 2.66Å; R348-E544 PolarHBondContact NH1-OE2 3.34Å; R348-E544 IonicContact NH2-OE1 3.32Å; R348-E544 IonicContact NH2-OE2 3.58Å; R348-E544 PolarHBondContact NH2-OE2 3.13Å; L540-E544 WeakPolarHBondContact O-CG 3.37Å; L540-E544 PolarHBondContact O-N 3.32Å; H541-E544 PolarHBondContact O-N 3.41Å; E544-S547 PolarHBondContact O-N 3.2Å; E544-S548 WeakPolarHBondContact O-CB 3.2Å; E544-S548 PolarHBondContact O-N 3.08Å; E544-S548 PolarHBondContact O-OG 2.81Å; E544-Y559 WeakPolarHBondContact CG-OH 3.49Å; E544-L564 HydrophobicContact CG-CD1 4.11Å; E544-L564 HydrophobicContact CG-CD2 4.11Å; E544-W568 PolarHBondContact OE1-NE1 3.21Å; E544-I949 CarbonylContact C-O 3.57Å; E544-I949 VanDerWaalsContact C-O 3.26Å; E544-K950 HydrophobicContact CB-CB 4.19Å |
| 545 | A | 98 | Very high | 95.6 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.5 | -55 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | H541 S547 S548 L549 I949 | H541-A545 WeakPolarHBondContact O-CB 3.43Å; H541-A545 PolarHBondContact O-N 2.88Å; A545-S547 PolarHBondContact O-N 2.95Å; A545-S548 PolarHBondContact O-N 3.32Å; A545-L549 VanDerWaalsContact O-CG 3.27Å; A545-L549 WeakPolarHBondContact O-CG 3.36Å; A545-L549 PolarHBondContact O-N 2.63Å; A545-I949 PolarHBondContact N-O 3.04Å |
| 546 | A | 97.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -59.9 | -44.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | D542 I543 S548 L549 A550 L607 A610 L611 L614 F624 | D542-A546 VanDerWaalsContact O-CB 3.25Å; D542-A546 WeakPolarHBondContact O-CB 3.35Å; D542-A546 PolarHBondContact O-N 2.63Å; I543-A546 PolarHBondContact O-N 3.19Å; A546-S548 VanDerWaalsContact C-N 3.35Å; A546-S548 PolarHBondContact O-N 2.95Å; A546-L549 PolarHBondContact O-N 3.37Å; A546-A550 VanDerWaalsContact O-CB 3.31Å; A546-A550 WeakPolarHBondContact O-CB 3.31Å; A546-A550 PolarHBondContact O-N 3.38Å; A546-L607 HydrophobicContact CB-CD1 4.05Å; A546-A610 HydrophobicContact CB-CB 3.81Å; A546-L611 HydrophobicContact CB-CD2 4.12Å; A546-L614 HydrophobicContact CB-CD1 4.24Å; A546-F624 HydrophobicContact CB-CE1 4.13Å; A546-F624 HydrophobicContact CB-CZ 4.27Å |
| 547 | S | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.2 | -36.5 | -179.8 | -60.9 | 0 | 0 | 0 | 0 | 112.1 | I543 E544 A545 A550 L551 F557 | I543-S547 WeakPolarHBondContact O-CB 3.46Å; I543-S547 PolarHBondContact O-N 3.43Å; I543-S547 PolarHBondContact O-OG 2.8Å; E544-S547 PolarHBondContact O-N 3.2Å; A545-S547 PolarHBondContact O-N 2.95Å; S547-A550 PolarHBondContact O-N 2.8Å; S547-L551 WeakPolarHBondContact O-CB 3.39Å; S547-L551 PolarHBondContact O-N 2.92Å; S547-F557 VanDerWaalsContact O-CE1 3.27Å; S547-F557 WeakPolarHBondContact O-CE1 3.49Å |
| 548 | S | 96.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -68 | -43.1 | 176.7 | -61.4 | 0 | 0 | 0 | 0 | 111.4 | E544 A545 A546 L551 C552 K950 R951 | E544-S548 WeakPolarHBondContact O-CB 3.2Å; E544-S548 PolarHBondContact O-N 3.08Å; E544-S548 PolarHBondContact O-OG 2.81Å; A545-S548 PolarHBondContact O-N 3.32Å; A546-S548 VanDerWaalsContact C-N 3.35Å; A546-S548 PolarHBondContact O-N 2.95Å; S548-L551 WeakPolarHBondContact O-CB 3.47Å; S548-L551 PolarHBondContact O-N 3.08Å; S548-C552 PolarHBondContact O-N 3.28Å; S548-C552 PolarHBondContact O-SG 3.44Å; S548-K950 VanDerWaalsContact OG-C 3.25Å; S548-K950 WeakPolarHBondContact OG-CA 3.31Å; S548-R951 PolarHBondContact OG-N 2.96Å |
| 549 | L | 95.3 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.7 | -37.8 | 175.8 | -61.4 | -179.7 | 0 | 0 | 0 | 111.7 | A545 A546 L551 C552 R553 L614 F624 V654 W934 A936 F937 L979 | A545-L549 VanDerWaalsContact O-CG 3.27Å; A545-L549 WeakPolarHBondContact O-CG 3.36Å; A545-L549 PolarHBondContact O-N 2.63Å; A546-L549 PolarHBondContact O-N 3.37Å; L549-L551 VanDerWaalsContact C-N 3.34Å; L549-C552 PolarHBondContact O-N 3.19Å; L549-R553 PolarHBondContact O-N 2.83Å; L549-R553 VanDerWaalsContact O-N 3.13Å; L549-L614 HydrophobicContact CB-CD1 4.36Å; L549-L614 HydrophobicContact CB-CD2 3.67Å; L549-F624 HydrophobicContact CD1-CE2 3.83Å; L549-F624 HydrophobicContact CD1-CZ 4.08Å; L549-V654 HydrophobicContact CD1-CG1 3.98Å; L549-W934 HydrophobicContact CD1-CH2 4.38Å; L549-W934 HydrophobicContact CD1-CZ3 4.28Å; L549-W934 HydrophobicContact CD2-CH2 4.36Å; L549-A936 HydrophobicContact CD1-CB 4.04Å; L549-A936 HydrophobicContact CD2-CB 3.35Å; L549-A936 HydrophobicContact CG-CB 4.31Å; L549-F937 HydrophobicContact CD2-CE2 4.14Å; L549-L979 HydrophobicContact CD2-CD1 4.08Å |
| 550 | A | 94.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61 | -44.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A546 S547 C552 R553 S554 F557 A613 L614 | A546-A550 VanDerWaalsContact O-CB 3.31Å; A546-A550 WeakPolarHBondContact O-CB 3.31Å; A546-A550 PolarHBondContact O-N 3.38Å; S547-A550 PolarHBondContact O-N 2.8Å; A550-C552 VanDerWaalsContact C-N 3.26Å; A550-C552 PolarHBondContact O-N 3.19Å; A550-R553 PolarHBondContact O-N 3.22Å; A550-R553 VanDerWaalsContact O-N 3.14Å; A550-S554 WeakPolarHBondContact O-CB 3.22Å; A550-S554 PolarHBondContact O-N 3.18Å; A550-F557 HydrophobicContact CB-CB 4.49Å; A550-F557 HydrophobicContact CB-CD1 3.61Å; A550-F557 HydrophobicContact CB-CD2 4.17Å; A550-F557 HydrophobicContact CB-CE1 3.74Å; A550-F557 HydrophobicContact CB-CE2 4.29Å; A550-F557 HydrophobicContact CB-CG 3.82Å; A550-F557 HydrophobicContact CB-CZ 4.08Å; A550-A613 HydrophobicContact CB-CB 4.04Å; A550-L614 HydrophobicContact CB-CD2 4.33Å; A550-L614 HydrophobicContact CB-CG 4.05Å |
| 551 | L | 93.4 | Very high | 94.3 | Very high | 45 Ų | 45 | 38 Ų | 38 | 24% | 0.236 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -57.8 | -38 | 175.9 | -177 | 68.9 | 0 | 0 | 0 | 112.1 | S547 S548 L549 F557 R951 | S547-L551 WeakPolarHBondContact O-CB 3.39Å; S547-L551 PolarHBondContact O-N 2.92Å; S548-L551 WeakPolarHBondContact O-CB 3.47Å; S548-L551 PolarHBondContact O-N 3.08Å; L549-L551 VanDerWaalsContact C-N 3.34Å; L551-F557 HydrophobicContact CB-CD1 4.28Å; L551-R951 HydrophobicContact CD2-CG 4.21Å |
| 552 | C | 90.6 | Very high | 94.2 | Very high | 40 Ų | 40 | 45.1 Ų | 45.1 | 27% | 0.27 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -77.9 | -22 | 178.3 | -67.5 | 0 | 0 | 0 | 0 | 114.4 | S548 L549 A550 L979 | S548-C552 PolarHBondContact O-N 3.28Å; S548-C552 PolarHBondContact O-SG 3.44Å; L549-C552 PolarHBondContact O-N 3.19Å; A550-C552 VanDerWaalsContact C-N 3.26Å; A550-C552 PolarHBondContact O-N 3.19Å; C552-L979 HydrophobicContact CB-CD1 4.29Å; C552-L979 HydrophobicContact CB-CD2 4.03Å |
| 553 | R | 87.7 | Confident | 94.2 | Very high | 104 Ų | 104 | 50.5 Ų | 50.5 | 39% | 0.392 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -106.8 | -19.1 | -174.3 | -72.8 | -180 | 67.8 | 113.3 | -8 | 114.4 | L549 A550 E615 | L549-R553 PolarHBondContact O-N 2.83Å; L549-R553 VanDerWaalsContact O-N 3.13Å; A550-R553 PolarHBondContact O-N 3.22Å; A550-R553 VanDerWaalsContact O-N 3.14Å; R553-E615 IonicContact NH2-OE1 2.88Å; R553-E615 PolarHBondContact NH2-OE1 3.2Å |
| 554 | S | 87.2 | Confident | 94.1 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 11% | 0.112 | 27% | 0.265 | C | S | . | . | trans | -123.8 | 112.2 | -174.5 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | A550 T556 F557 | A550-S554 WeakPolarHBondContact O-CB 3.22Å; A550-S554 PolarHBondContact O-N 3.18Å; S554-T556 PolarHBondContact O-N 3.36Å; S554-T556 PolarHBondContact OG-OG1 3.27Å; S554-F557 PolarHBondContact O-N 3.08Å; S554-F557 PolarHBondContact OG-N 2.87Å | ||
| 555 | D | 84.8 | Confident | 94.1 | Very high | 178 Ų | 178 | 53 Ų | 53 | 95% | 0.952 | 28% | 0.276 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -15.8 | 177 | -61.5 | -30.3 | 0 | 0 | 0 | 113.3 | ||
| 556 | T | 89.3 | Confident | 94.1 | Very high | 124 Ų | 124 | 59.4 Ų | 59.4 | 76% | 0.761 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -12.2 | -178.7 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | S554 | S554-T556 PolarHBondContact O-N 3.36Å; S554-T556 PolarHBondContact OG-OG1 3.27Å |
| 557 | F | 94 | Very high | 94.2 | Very high | 28 Ų | 28 | 59.5 Ų | 59.5 | 12% | 0.123 | 30% | 0.3 | C | S | . | . | trans | -79.4 | 132.1 | -176.9 | -177.8 | -98.8 | 0 | 0 | 0 | 111 | S547 A550 L551 S554 A610 A613 | S547-F557 VanDerWaalsContact O-CE1 3.27Å; S547-F557 WeakPolarHBondContact O-CE1 3.49Å; A550-F557 HydrophobicContact CB-CB 4.49Å; A550-F557 HydrophobicContact CB-CD1 3.61Å; A550-F557 HydrophobicContact CB-CD2 4.17Å; A550-F557 HydrophobicContact CB-CE1 3.74Å; A550-F557 HydrophobicContact CB-CE2 4.29Å; A550-F557 HydrophobicContact CB-CG 3.82Å; A550-F557 HydrophobicContact CB-CZ 4.08Å; L551-F557 HydrophobicContact CB-CD1 4.28Å; S554-F557 PolarHBondContact O-N 3.08Å; S554-F557 PolarHBondContact OG-N 2.87Å; F557-A610 HydrophobicContact CE2-CB 4.44Å; F557-A610 HydrophobicContact CZ-CB 4.16Å; F557-A613 HydrophobicContact CB-CB 4.18Å; F557-A613 HydrophobicContact CD2-CB 3.37Å; F557-A613 HydrophobicContact CE2-CB 4Å; F557-A613 HydrophobicContact CG-CB 3.98Å | ||
| 558 | L | 93.9 | Very high | 94.3 | Very high | 152 Ų | 152 | 59.8 Ų | 59.8 | 80% | 0.796 | 30% | 0.301 | S | S | * | . | trans | -108 | 122.1 | 175.3 | -62.6 | 177.7 | 0 | 0 | 0 | 109.3 | ||||
| 559 | Y | 95.5 | Very high | 94.4 | Very high | 18 Ų | 18 | 62 Ų | 62 | 7% | 0.071 | 31% | 0.309 | C | S | . | . | trans | -62.8 | 124.4 | 177.3 | -172.4 | -85.7 | 0 | 0 | 0 | 110.7 | E544 A561 L564 R951 | E544-Y559 WeakPolarHBondContact CG-OH 3.49Å; Y559-A561 HydrophobicContact CD1-CB 4.04Å; Y559-A561 HydrophobicContact CE1-CB 4.42Å; Y559-A561 PolarHBondContact O-N 3.39Å; Y559-L564 HydrophobicContact CD1-CD1 4.37Å; Y559-L564 HydrophobicContact CE1-CD1 3.54Å; Y559-L564 HydrophobicContact CE2-CD1 4.32Å; Y559-R951 HydrophobicContact CD1-CB 3.89Å; Y559-R951 HydrophobicContact CD1-CG 4.44Å; Y559-R951 HydrophobicContact CD2-CB 3.73Å; Y559-R951 HydrophobicContact CE1-CB 3.83Å; Y559-R951 HydrophobicContact CE2-CB 3.65Å; Y559-R951 HydrophobicContact CG-CB 3.83Å; Y559-R951 HydrophobicContact CG-CG 4.38Å | ||
| 560 | P | 95.8 | Very high | 94.5 | Very high | 25 Ų | 25 | 63.6 Ų | 63.6 | 16% | 0.162 | 32% | 0.318 | C | S | . | . | trans | -80.7 | 60 | -171.1 | 33.8 | -36.8 | 0 | 0 | 0 | 112.7 | E562 K563 L564 L606 | P560-E562 PolarHBondContact O-N 3.1Å; P560-K563 HydrophobicContact CB-CB 4.48Å; P560-K563 PolarHBondContact O-N 2.85Å; P560-L564 HydrophobicContact CG-CD1 3.94Å; P560-L564 HydrophobicContact CG-CG 4.28Å; P560-L564 WeakPolarHBondContact O-CB 3.32Å; P560-L564 PolarHBondContact O-N 2.99Å; P560-L606 HydrophobicContact CB-CD1 4.44Å; P560-L606 HydrophobicContact CB-CD2 3.92Å; P560-L606 HydrophobicContact CG-CD1 4.24Å; P560-L606 HydrophobicContact CG-CD2 4.06Å | ||
| 561 | A | 95.9 | Very high | 94.7 | Very high | 43 Ų | 43 | 63.6 Ų | 63.6 | 36% | 0.355 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -57 | -51.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y559 K563 L564 Q565 | Y559-A561 HydrophobicContact CD1-CB 4.04Å; Y559-A561 HydrophobicContact CE1-CB 4.42Å; Y559-A561 PolarHBondContact O-N 3.39Å; A561-K563 PolarHBondContact O-N 3.08Å; A561-L564 PolarHBondContact O-N 3.39Å; A561-Q565 WeakPolarHBondContact O-CB 3.21Å; A561-Q565 PolarHBondContact O-N 2.92Å |
| 562 | E | 95.9 | Very high | 95 | Very high | 169 Ų | 169 | 61.4 Ų | 61.4 | 79% | 0.79 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.2 | -42 | -177.8 | -65.2 | 179.6 | 177.1 | 0 | 0 | 112.3 | P560 Q565 R566 | P560-E562 PolarHBondContact O-N 3.1Å; E562-Q565 PolarHBondContact O-N 3.28Å; E562-R566 PolarHBondContact O-N 2.97Å |
| 563 | K | 97.8 | Very high | 95.4 | Very high | 113 Ų | 113 | 59.9 Ų | 59.9 | 49% | 0.491 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.7 | -47.3 | 177.2 | -68.3 | -177 | 179.3 | 178.6 | 0 | 110.4 | P560 A561 Q565 R566 L567 L606 | P560-K563 HydrophobicContact CB-CB 4.48Å; P560-K563 PolarHBondContact O-N 2.85Å; A561-K563 PolarHBondContact O-N 3.08Å; K563-Q565 VanDerWaalsContact C-N 3.35Å; K563-Q565 PolarHBondContact O-N 2.8Å; K563-R566 WeakPolarHBondContact O-CB 3.4Å; K563-R566 PolarHBondContact O-N 2.88Å; K563-L567 WeakPolarHBondContact O-CG 3.42Å; K563-L567 PolarHBondContact O-N 3.12Å; K563-L606 HydrophobicContact CB-CD1 4.11Å; K563-L606 HydrophobicContact CD-CD2 3.88Å |
| 564 | L | 97.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 177.5 | -84.3 | 168.5 | 0 | 0 | 0 | 112.4 | L540 I543 E544 Y559 P560 A561 R566 L567 W568 L606 | L540-L564 HydrophobicContact CD2-CD2 4.23Å; I543-L564 HydrophobicContact CB-CD2 4.35Å; I543-L564 HydrophobicContact CG2-CD1 4.49Å; I543-L564 HydrophobicContact CG2-CD2 3.75Å; I543-L564 HydrophobicContact CG2-CG 4.48Å; E544-L564 HydrophobicContact CG-CD1 4.11Å; E544-L564 HydrophobicContact CG-CD2 4.11Å; Y559-L564 HydrophobicContact CD1-CD1 4.37Å; Y559-L564 HydrophobicContact CE1-CD1 3.54Å; Y559-L564 HydrophobicContact CE2-CD1 4.32Å; P560-L564 HydrophobicContact CG-CD1 3.94Å; P560-L564 HydrophobicContact CG-CG 4.28Å; P560-L564 WeakPolarHBondContact O-CB 3.32Å; P560-L564 PolarHBondContact O-N 2.99Å; A561-L564 PolarHBondContact O-N 3.39Å; L564-R566 VanDerWaalsContact C-N 3.31Å; L564-R566 PolarHBondContact O-N 3.27Å; L564-L567 PolarHBondContact O-N 2.82Å; L564-W568 PolarHBondContact O-N 3.16Å; L564-L606 HydrophobicContact CD2-CD1 4.26Å; L564-L606 HydrophobicContact CG-CD1 4.15Å |
| 565 | Q | 97.6 | Very high | 96.5 | Very high | 54 Ų | 54 | 54.1 Ų | 54.1 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 175.7 | -179.4 | 172.2 | 57 | 0 | 0 | 111.3 | E352 A561 E562 K563 L567 W568 R569 | E352-Q565 PolarHBondContact OE1-NE2 3.11Å; E352-Q565 PolarHBondContact OE2-NE2 3.48Å; A561-Q565 WeakPolarHBondContact O-CB 3.21Å; A561-Q565 PolarHBondContact O-N 2.92Å; E562-Q565 PolarHBondContact O-N 3.28Å; K563-Q565 VanDerWaalsContact C-N 3.35Å; K563-Q565 PolarHBondContact O-N 2.8Å; Q565-L567 PolarHBondContact O-N 3.41Å; Q565-W568 PolarHBondContact O-N 2.93Å; Q565-R569 WeakPolarHBondContact O-CG 3.21Å; Q565-R569 PolarHBondContact O-N 3.45Å |
| 566 | R | 98.3 | Very high | 97.1 | Very high | 136 Ų | 136 | 45.7 Ų | 45.7 | 51% | 0.513 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.1 | -47.8 | 174.9 | -174.4 | -177.7 | 76.3 | 179.5 | 4.8 | 111.8 | E562 K563 L564 W568 R569 L570 D602 | E562-R566 PolarHBondContact O-N 2.97Å; K563-R566 WeakPolarHBondContact O-CB 3.4Å; K563-R566 PolarHBondContact O-N 2.88Å; L564-R566 VanDerWaalsContact C-N 3.31Å; L564-R566 PolarHBondContact O-N 3.27Å; R566-W568 PolarHBondContact O-N 3.19Å; R566-R569 PolarHBondContact O-N 2.66Å; R566-L570 WeakPolarHBondContact O-CG 3.48Å; R566-L570 PolarHBondContact O-N 3.08Å; R566-D602 IonicContact CZ-OD2 2.86Å; R566-D602 IonicContact NH2-OD2 3.77Å; R566-D602 PolarHBondContact NH2-OD2 3.33Å |
| 567 | L | 98.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -65.2 | -39.1 | -178.9 | -59.2 | -172.2 | 0 | 0 | 0 | 112.1 | L540 K563 L564 Q565 L570 L571 I599 D602 L606 | L540-L567 HydrophobicContact CD2-CB 3.8Å; L540-L567 HydrophobicContact CD2-CD1 4.16Å; K563-L567 WeakPolarHBondContact O-CG 3.42Å; K563-L567 PolarHBondContact O-N 3.12Å; L564-L567 PolarHBondContact O-N 2.82Å; Q565-L567 PolarHBondContact O-N 3.41Å; L567-L570 PolarHBondContact O-N 2.83Å; L567-L571 PolarHBondContact O-N 3.06Å; L567-L571 VanDerWaalsContact O-N 3.08Å; L567-I599 HydrophobicContact CB-CG1 4.48Å; L567-I599 HydrophobicContact CD2-CG1 4.49Å; L567-D602 HydrophobicContact CD1-CB 4.08Å; L567-D602 HydrophobicContact CD2-CB 3.91Å; L567-L606 HydrophobicContact CD1-CD1 4.06Å |
| 568 | W | 98.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 38.6 Ų | 38.6 | 3% | 0.027 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -61.3 | -48.9 | 171.6 | -87.2 | 112.7 | 0 | 0 | 0 | 111.3 | E344 R348 L540 E544 L564 Q565 R566 L570 L571 L572 | E344-W568 HydrophobicContact CG-CH2 4.38Å; R348-W568 HydrophobicContact CB-CE3 4.21Å; R348-W568 HydrophobicContact CB-CZ3 4.38Å; R348-W568 HydrophobicContact CG-CD2 4.21Å; R348-W568 HydrophobicContact CG-CE3 3.96Å; R348-W568 HydrophobicContact CG-CH2 4.15Å; R348-W568 HydrophobicContact CG-CZ2 4.38Å; R348-W568 HydrophobicContact CG-CZ3 3.93Å; L540-W568 HydrophobicContact CB-CH2 4.26Å; L540-W568 HydrophobicContact CB-CZ2 3.74Å; L540-W568 HydrophobicContact CD1-CD2 3.68Å; L540-W568 HydrophobicContact CD1-CE3 3.89Å; L540-W568 HydrophobicContact CD1-CG 4.08Å; L540-W568 HydrophobicContact CD1-CH2 4.47Å; L540-W568 HydrophobicContact CD1-CZ2 4.3Å; L540-W568 HydrophobicContact CD1-CZ3 4.28Å; E544-W568 PolarHBondContact OE1-NE1 3.21Å; L564-W568 PolarHBondContact O-N 3.16Å; Q565-W568 PolarHBondContact O-N 2.93Å; R566-W568 PolarHBondContact O-N 3.19Å; W568-L570 VanDerWaalsContact C-N 3.28Å; W568-L570 PolarHBondContact O-N 3.06Å; W568-L571 HydrophobicContact CE3-CD2 3.9Å; W568-L571 HydrophobicContact CZ3-CD2 3.68Å; W568-L571 WeakPolarHBondContact O-CB 3.47Å; W568-L571 PolarHBondContact O-N 3.2Å; W568-L572 HydrophobicContact CE3-CD2 4.35Å; W568-L572 WeakPolarHBondContact O-CB 3.41Å; W568-L572 VanDerWaalsContact O-CG 3.25Å; W568-L572 WeakPolarHBondContact O-CG 3.33Å; W568-L572 PolarHBondContact O-N 2.88Å |
| 569 | R | 98.8 | Very high | 98 | Very high | 45 Ų | 45 | 31.4 Ų | 31.4 | 17% | 0.17 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -58.7 | -37.1 | 178.5 | -74 | 176.3 | 177.7 | -170.6 | -0.1 | 113.2 | W333 E352 Q565 R566 L573 | W333-R569 HydrophobicContact CD2-CG 4.29Å; W333-R569 HydrophobicContact CH2-CG 4.27Å; W333-R569 HydrophobicContact CZ2-CB 4.1Å; W333-R569 HydrophobicContact CZ2-CG 3.74Å; E352-R569 IonicContact OE2-CZ 2.7Å; E352-R569 IonicContact OE2-NE 3.17Å; E352-R569 PolarHBondContact OE2-NE 3.48Å; E352-R569 IonicContact OE2-NH2 3.74Å; E352-R569 PolarHBondContact OE2-NH2 3.48Å; Q565-R569 WeakPolarHBondContact O-CG 3.21Å; Q565-R569 PolarHBondContact O-N 3.45Å; R566-R569 PolarHBondContact O-N 2.66Å; R569-L573 VanDerWaalsContact O-CB 3.28Å; R569-L573 WeakPolarHBondContact O-CB 3.21Å; R569-L573 PolarHBondContact O-N 3.05Å |
| 570 | L | 98.6 | Very high | 98.1 | Very high | 34 Ų | 34 | 30.5 Ų | 30.5 | 18% | 0.178 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.5 | -44.5 | 172.6 | -71.6 | 176.3 | 0 | 0 | 0 | 112.1 | R566 L567 W568 L573 N574 Y595 I599 | R566-L570 WeakPolarHBondContact O-CG 3.48Å; R566-L570 PolarHBondContact O-N 3.08Å; L567-L570 PolarHBondContact O-N 2.83Å; W568-L570 VanDerWaalsContact C-N 3.28Å; W568-L570 PolarHBondContact O-N 3.06Å; L570-L573 PolarHBondContact O-N 3.43Å; L570-N574 PolarHBondContact O-N 2.82Å; L570-Y595 HydrophobicContact CD2-CD1 4.29Å; L570-Y595 HydrophobicContact CD2-CD2 4.34Å; L570-Y595 HydrophobicContact CD2-CG 4.12Å; L570-I599 HydrophobicContact CB-CD1 3.9Å; L570-I599 HydrophobicContact CB-CG1 4.05Å; L570-I599 HydrophobicContact CD1-CG1 4.39Å |
| 571 | L | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.6 | -48.1 | 176.3 | 178.8 | 61.6 | 0 | 0 | 0 | 111.1 | N533 C536 E537 L540 L567 W568 L573 N574 Q575 Y596 I599 | N533-L571 WeakPolarHBondContact OD1-CD1 3.17Å; C536-L571 HydrophobicContact CB-CD1 3.91Å; E537-L571 HydrophobicContact CG-CD2 3.78Å; L540-L571 HydrophobicContact CD1-CB 4.24Å; L540-L571 HydrophobicContact CD1-CD2 3.64Å; L567-L571 PolarHBondContact O-N 3.06Å; L567-L571 VanDerWaalsContact O-N 3.08Å; W568-L571 HydrophobicContact CE3-CD2 3.9Å; W568-L571 HydrophobicContact CZ3-CD2 3.68Å; W568-L571 WeakPolarHBondContact O-CB 3.47Å; W568-L571 PolarHBondContact O-N 3.2Å; L571-L573 VanDerWaalsContact C-N 3.3Å; L571-L573 PolarHBondContact O-N 2.81Å; L571-N574 PolarHBondContact O-N 2.97Å; L571-Q575 WeakPolarHBondContact O-CG 3.46Å; L571-Q575 PolarHBondContact O-N 2.94Å; L571-Y596 HydrophobicContact CD1-CD1 4.42Å; L571-Y596 HydrophobicContact CD1-CE1 3.73Å; L571-I599 HydrophobicContact CB-CD1 3.93Å |
| 572 | L | 98.9 | Very high | 98.4 | Very high | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.3 | -33.8 | -179.3 | -64.8 | -171.7 | 0 | 0 | 0 | 112.4 | W333 V334 R348 Q349 E352 W568 Q575 | W333-L572 HydrophobicContact CB-CD1 4.1Å; W333-L572 HydrophobicContact CG-CB 4.39Å; W333-L572 HydrophobicContact CG-CD1 4.36Å; V334-L572 WeakPolarHBondContact CG2-O 3.15Å; R348-L572 HydrophobicContact CB-CD1 4.01Å; R348-L572 HydrophobicContact CB-CD2 4.06Å; Q349-L572 HydrophobicContact CG-CD1 4.45Å; Q349-L572 HydrophobicContact CG-CD2 3.83Å; Q349-L572 PolarHBondContact NE2-O 3.43Å; E352-L572 HydrophobicContact CB-CD1 4.28Å; E352-L572 HydrophobicContact CG-CD1 4.07Å; W568-L572 HydrophobicContact CE3-CD2 4.35Å; W568-L572 WeakPolarHBondContact O-CB 3.41Å; W568-L572 VanDerWaalsContact O-CG 3.25Å; W568-L572 WeakPolarHBondContact O-CG 3.33Å; W568-L572 PolarHBondContact O-N 2.88Å; L572-Q575 VanDerWaalsContact CD2-OE1 3.3Å; L572-Q575 WeakPolarHBondContact O-CB 3.19Å; L572-Q575 PolarHBondContact O-N 3.41Å |
| 573 | L | 98.9 | Very high | 98.4 | Very high | 7 Ų | 7 | 19.3 Ų | 19.3 | 4% | 0.037 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60.8 | -47.1 | 173.7 | 176.3 | 55.5 | 0 | 0 | 0 | 111.2 | Y269 Q301 W305 V334 R569 L570 L571 Q575 F576 Y595 | Y269-L573 HydrophobicContact CD1-CD1 3.89Å; Y269-L573 HydrophobicContact CD1-CD2 4.19Å; Y269-L573 HydrophobicContact CD1-CG 4.18Å; Y269-L573 HydrophobicContact CE1-CD1 3.46Å; Y269-L573 VanDerWaalsContact CE1-CD1 3.46Å; Y269-L573 HydrophobicContact CE1-CD2 4.07Å; Y269-L573 HydrophobicContact CE1-CG 3.62Å; Q301-L573 HydrophobicContact CG-CD1 4.06Å; W305-L573 HydrophobicContact CH2-CD1 3.92Å; W305-L573 HydrophobicContact CZ2-CD1 4.01Å; W305-L573 HydrophobicContact CZ2-CD2 4.06Å; V334-L573 HydrophobicContact CG1-CD1 4.17Å; R569-L573 VanDerWaalsContact O-CB 3.28Å; R569-L573 WeakPolarHBondContact O-CB 3.21Å; R569-L573 PolarHBondContact O-N 3.05Å; L570-L573 PolarHBondContact O-N 3.43Å; L571-L573 VanDerWaalsContact C-N 3.3Å; L571-L573 PolarHBondContact O-N 2.81Å; L573-Q575 PolarHBondContact O-N 3.5Å; L573-F576 WeakPolarHBondContact O-CB 3.44Å; L573-F576 PolarHBondContact O-N 2.94Å; L573-F576 VanDerWaalsContact O-N 3.15Å; L573-Y595 HydrophobicContact CD2-CD2 4.38Å; L573-Y595 HydrophobicContact CD2-CE2 3.88Å |
| 574 | N | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -68.7 | -10.5 | 177.3 | -77.8 | -11 | 0 | 0 | 0 | 113.9 | Y269 L570 L571 F576 V579 I580 A592 Y596 | Y269-N574 PolarHBondContact OH-OD1 2.76Å; L570-N574 PolarHBondContact O-N 2.82Å; L571-N574 PolarHBondContact O-N 2.97Å; N574-F576 VanDerWaalsContact C-N 3.27Å; N574-V579 HydrophobicContact CB-CG1 4.39Å; N574-V579 WeakPolarHBondContact O-CG1 3.46Å; N574-I580 WeakPolarHBondContact O-CB 3.24Å; N574-I580 PolarHBondContact O-N 3.37Å; N574-I580 VanDerWaalsContact O-N 3.15Å; N574-A592 PolarHBondContact ND2-O 2.7Å; N574-A592 WeakPolarHBondContact OD1-CA 3.49Å; N574-A592 WeakPolarHBondContact OD1-CB 3.4Å; N574-Y596 HydrophobicContact CB-CE1 4.17Å; N574-Y596 HydrophobicContact CB-CE2 4.29Å; N574-Y596 WeakPolarHBondContact CB-OH 3.43Å; N574-Y596 WeakPolarHBondContact ND2-CE2 3.35Å |
| 575 | Q | 98.8 | Very high | 98.5 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 6% | 0.059 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | 6.5 | 173.7 | -70.1 | 173 | -2.3 | 0 | 0 | 113.7 | M336 D337 P341 S345 N533 E537 L571 L572 L573 I580 | M336-Q575 WeakPolarHBondContact CA-O 3.27Å; D337-Q575 PolarHBondContact N-O 3.17Å; P341-Q575 HydrophobicContact CB-CG 4.4Å; P341-Q575 HydrophobicContact CG-CB 4.1Å; P341-Q575 HydrophobicContact CG-CG 4.13Å; S345-Q575 PolarHBondContact OG-NE2 2.88Å; N533-Q575 WeakPolarHBondContact OD1-CG 3.3Å; N533-Q575 PolarHBondContact OD1-NE2 3.2Å; E537-Q575 PolarHBondContact OE1-NE2 2.85Å; L571-Q575 WeakPolarHBondContact O-CG 3.46Å; L571-Q575 PolarHBondContact O-N 2.94Å; L572-Q575 VanDerWaalsContact CD2-OE1 3.3Å; L572-Q575 WeakPolarHBondContact O-CB 3.19Å; L572-Q575 PolarHBondContact O-N 3.41Å; L573-Q575 PolarHBondContact O-N 3.5Å; Q575-I580 HydrophobicContact CG-CD1 4.15Å |
| 576 | F | 98.8 | Very high | 98.4 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.055 | C | C | . | . | B | Isolated β-bridge | trans | -53.3 | 144.3 | 169.9 | -175 | -103.7 | 0 | 0 | 0 | 111.4 | D262 S263 V334 E335 L573 N574 D578 V579 I580 P581 | D262-F576 VanDerWaalsContact CA-CZ 3.45Å; D262-F576 HydrophobicContact CB-CE1 3.74Å; D262-F576 HydrophobicContact CB-CZ 3.78Å; S263-F576 VanDerWaalsContact N-CZ 3.28Å; V334-F576 HydrophobicContact CB-CD2 4.17Å; V334-F576 HydrophobicContact CG2-CB 4.43Å; E335-F576 HydrophobicContact CB-CD2 4.48Å; E335-F576 HydrophobicContact CB-CE2 4.03Å; E335-F576 WeakPolarHBondContact O-CD2 3.48Å; L573-F576 WeakPolarHBondContact O-CB 3.44Å; L573-F576 PolarHBondContact O-N 2.94Å; L573-F576 VanDerWaalsContact O-N 3.15Å; N574-F576 VanDerWaalsContact C-N 3.27Å; F576-D578 HydrophobicContact CD1-CB 4.07Å; F576-D578 HydrophobicContact CE1-CB 3.97Å; F576-D578 PolarHBondContact O-N 3.04Å; F576-V579 HydrophobicContact CB-CB 4.39Å; F576-V579 HydrophobicContact CB-CG2 4.14Å; F576-V579 HydrophobicContact CD1-CG2 4.19Å; F576-V579 PolarHBondContact O-N 3.15Å; F576-I580 PolarHBondContact O-N 3.17Å; F576-P581 WeakPolarHBondContact O-CD 3.27Å |
| 577 | H | 98.4 | Very high | 98.4 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -8.6 | -169.9 | 64.4 | -95.9 | 0 | 0 | 0 | 115.8 | H260 D262 E335 D372 F374 P581 | H260-H577 AromaticContact CE1-CE1 3.57Å; H260-H577 AromaticContact CE1-NE2 3.94Å; H260-H577 AromaticContact NE2-CE1 3.84Å; H260-H577 AromaticContact NE2-NE2 3.75Å; D262-H577 IonicContact OD1-CE1 2.8Å; D262-H577 IonicContact OD1-NE2 3.87Å; E335-H577 PolarHBondContact O-N 3.15Å; E335-H577 VanDerWaalsContact O-N 3.13Å; E335-H577 PolarHBondContact O-ND1 3.06Å; D372-H577 IonicContact OD2-NE2 2.66Å; F374-H577 WeakPolarHBondContact CE2-O 3.25Å; H577-P581 VanDerWaalsContact O-CD 3.27Å; H577-P581 WeakPolarHBondContact O-CD 3.32Å; H577-P581 WeakPolarHBondContact O-CG 3.26Å |
| 578 | D | 98.4 | Very high | 98.4 | Very high | 3 Ų | 3 | 8.7 Ų | 8.7 | 2% | 0.016 | 5% | 0.045 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.8 | -19.1 | 166.9 | -80.8 | -55.2 | 0 | 0 | 0 | 115 | W265 F374 F576 S583 | W265-D578 HydrophobicContact CB-CB 4.27Å; W265-D578 HydrophobicContact CG-CB 4.43Å; F374-D578 WeakPolarHBondContact CZ-OD1 3.4Å; F576-D578 HydrophobicContact CD1-CB 4.07Å; F576-D578 HydrophobicContact CE1-CB 3.97Å; F576-D578 PolarHBondContact O-N 3.04Å; D578-S583 WeakPolarHBondContact CA-OG 3.43Å; D578-S583 PolarHBondContact O-N 3.18Å; D578-S583 PolarHBondContact O-OG 3.45Å; D578-S583 PolarHBondContact OD1-OG 2.67Å |
| 579 | V | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 8.8 Ų | 8.8 | 1% | 0.006 | 5% | 0.047 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | -61.2 | -174.2 | -179 | 0 | 0 | 0 | 0 | 110.3 | A264 Y269 N574 F576 P581 G582 V588 A592 | A264-V579 HydrophobicContact CB-CG2 4.09Å; Y269-V579 HydrophobicContact CE1-CG2 4.44Å; Y269-V579 WeakPolarHBondContact OH-CG2 3.36Å; N574-V579 HydrophobicContact CB-CG1 4.39Å; N574-V579 WeakPolarHBondContact O-CG1 3.46Å; F576-V579 HydrophobicContact CB-CB 4.39Å; F576-V579 HydrophobicContact CB-CG2 4.14Å; F576-V579 HydrophobicContact CD1-CG2 4.19Å; F576-V579 PolarHBondContact O-N 3.15Å; V579-P581 VanDerWaalsContact C-N 3.29Å; V579-G582 PolarHBondContact O-N 3.28Å; V579-V588 HydrophobicContact CG1-CG1 4.48Å; V579-V588 HydrophobicContact CG2-CG1 3.89Å; V579-A592 HydrophobicContact CG1-CB 3.9Å |
| 580 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -33.4 | 178.8 | -169.6 | 168.6 | 0 | 0 | 0 | 112.4 | D337 L340 K530 N533 N574 Q575 F576 G582 | D337-I580 HydrophobicContact CB-CG2 3.52Å; L340-I580 HydrophobicContact CB-CD1 3.85Å; L340-I580 HydrophobicContact CB-CG1 4.13Å; L340-I580 HydrophobicContact CD1-CG1 4.09Å; K530-I580 WeakPolarHBondContact CD-O 3.45Å; K530-I580 WeakPolarHBondContact CE-O 3.28Å; K530-I580 PolarHBondContact NZ-O 3.01Å; N533-I580 HydrophobicContact CB-CD1 3.91Å; N533-I580 VanDerWaalsContact CG-CD1 3.44Å; N574-I580 WeakPolarHBondContact O-CB 3.24Å; N574-I580 PolarHBondContact O-N 3.37Å; N574-I580 VanDerWaalsContact O-N 3.15Å; Q575-I580 HydrophobicContact CG-CD1 4.15Å; F576-I580 PolarHBondContact O-N 3.17Å; I580-G582 PolarHBondContact O-N 3.28Å |
| 581 | P | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -5.5 | 176.8 | -21.4 | 42.4 | 0 | 0 | 0 | 113.2 | D337 L340 F374 T522 K530 F576 H577 V579 | D337-P581 HydrophobicContact CB-CG 3.83Å; D337-P581 WeakPolarHBondContact OD2-CG 3.47Å; L340-P581 HydrophobicContact CD1-CG 4.46Å; F374-P581 HydrophobicContact CD2-CB 4.04Å; F374-P581 HydrophobicContact CD2-CG 4.33Å; F374-P581 HydrophobicContact CE2-CB 4.29Å; T522-P581 WeakPolarHBondContact CA-O 3.13Å; T522-P581 WeakPolarHBondContact CB-O 3.3Å; T522-P581 HydrophobicContact CG2-CB 4.01Å; T522-P581 VanDerWaalsContact O-O 3.04Å; K530-P581 PolarHBondContact NZ-O 3.16Å; F576-P581 WeakPolarHBondContact O-CD 3.27Å; H577-P581 VanDerWaalsContact O-CD 3.27Å; H577-P581 WeakPolarHBondContact O-CD 3.32Å; H577-P581 WeakPolarHBondContact O-CG 3.26Å; V579-P581 VanDerWaalsContact C-N 3.29Å |
| 582 | G | 97.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 13.2 Ų | 13.2 | 2% | 0.021 | 7% | 0.07 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 39.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T525 V579 I580 | T525-G582 WeakPolarHBondContact CG2-O 3.28Å; V579-G582 PolarHBondContact O-N 3.28Å; I580-G582 PolarHBondContact O-N 3.28Å |
| 583 | S | 97.6 | Very high | 98.2 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 8% | 0.079 | C | C | . | . | trans | -119.1 | 27.9 | -170.7 | 51 | 0 | 0 | 0 | 0 | 113.1 | W265 D578 W730 | W265-S583 PolarHBondContact NE1-O 2.88Å; D578-S583 WeakPolarHBondContact CA-OG 3.43Å; D578-S583 PolarHBondContact O-N 3.18Å; D578-S583 PolarHBondContact O-OG 3.45Å; D578-S583 PolarHBondContact OD1-OG 2.67Å; S583-W730 VanDerWaalsContact CB-NE1 3.27Å; S583-W730 WeakPolarHBondContact O-CH2 3.32Å; S583-W730 WeakPolarHBondContact O-CZ2 3.48Å | ||
| 584 | C | 97.9 | Very high | 98.2 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -122.3 | 163.4 | -176.3 | 59.3 | 0 | 0 | 0 | 0 | 112 | W265 V588 P884 | W265-C584 VanDerWaalsContact O-CA 3.27Å; W265-C584 WeakPolarHBondContact O-CA 3.48Å; W265-C584 VanDerWaalsContact O-CB 3.28Å; W265-C584 WeakPolarHBondContact O-CB 3.02Å; C584-V588 HydrophobicContact CB-CB 3.78Å; C584-V588 HydrophobicContact CB-CG1 3.73Å; C584-V588 HydrophobicContact CB-CG2 4.2Å; C584-V588 WeakPolarHBondContact SG-CG1 3.44Å; C584-P884 VanDerWaalsContact C-CG 3.48Å; C584-P884 WeakPolarHBondContact O-CG 3.31Å |
| 585 | I | 98 | Very high | 98.2 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | trans | -64.2 | 156.1 | 179.9 | 58.9 | 168.9 | 0 | 0 | 0 | 111.4 | W77 P165 W265 L266 M587 V588 V589 P884 | W77-I585 HydrophobicContact CH2-CD1 4.48Å; W77-I585 HydrophobicContact CZ2-CD1 4.02Å; P165-I585 HydrophobicContact CG-CB 4.01Å; P165-I585 HydrophobicContact CG-CD1 3.79Å; P165-I585 HydrophobicContact CG-CG2 3.68Å; W265-I585 PolarHBondContact O-N 3.02Å; L266-I585 HydrophobicContact CD2-CG2 3.91Å; I585-M587 HydrophobicContact CD1-CB 4.09Å; I585-M587 HydrophobicContact CD1-CG 4.46Å; I585-M587 HydrophobicContact CD1-SD 4.31Å; I585-M587 HydrophobicContact CG1-CB 4.35Å; I585-M587 PolarHBondContact O-N 2.81Å; I585-V588 HydrophobicContact CD1-CG2 4.49Å; I585-V588 HydrophobicContact CG1-CB 4.48Å; I585-V588 HydrophobicContact CG1-CG2 3.76Å; I585-V588 WeakPolarHBondContact O-CB 3.42Å; I585-V588 PolarHBondContact O-N 2.93Å; I585-V589 PolarHBondContact O-N 3Å; I585-P884 HydrophobicContact CG2-CB 4.01Å | ||
| 586 | G | 97.3 | Very high | 98.2 | Very high | 16 Ų | 16 | 21.6 Ų | 21.6 | 17% | 0.165 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -54 | -32 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | V588 V589 E590 D885 | G586-V588 VanDerWaalsContact C-N 3.28Å; G586-V588 PolarHBondContact O-N 2.97Å; G586-V589 WeakPolarHBondContact O-CB 3.31Å; G586-V589 PolarHBondContact O-N 2.93Å; G586-E590 WeakPolarHBondContact O-CG 3.15Å; G586-E590 PolarHBondContact O-N 3.07Å; G586-D885 VanDerWaalsContact CA-OD2 3.31Å; G586-D885 WeakPolarHBondContact CA-OD2 3.35Å |
| 587 | M | 97.1 | Very high | 98.2 | Very high | 64 Ų | 64 | 26.7 Ų | 26.7 | 32% | 0.315 | 13% | 0.133 | S | C | . | . | H | α-helix | trans | -61 | -35.1 | 174.4 | -65.1 | 176.2 | 65.9 | 0 | 0 | 113 | W77 P268 I585 D591 | W77-M587 HydrophobicContact CG-CE 4.44Å; W77-M587 PolarHBondContact NE1-SD 2.75Å; W77-M587 VanDerWaalsContact NE1-SD 3.37Å; P268-M587 HydrophobicContact CG-CE 4.4Å; I585-M587 HydrophobicContact CD1-CB 4.09Å; I585-M587 HydrophobicContact CD1-CG 4.46Å; I585-M587 HydrophobicContact CD1-SD 4.31Å; I585-M587 HydrophobicContact CG1-CB 4.35Å; I585-M587 PolarHBondContact O-N 2.81Å; M587-D591 PolarHBondContact O-N 2.98Å |
| 588 | V | 98.4 | Very high | 98.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -74 | -36.9 | 177.4 | 177.4 | 0 | 0 | 0 | 0 | 110.4 | A264 W267 Y269 V579 C584 I585 G586 E590 D591 A592 | A264-V588 HydrophobicContact CB-CB 4.38Å; A264-V588 HydrophobicContact CB-CG1 3.52Å; A264-V588 HydrophobicContact CB-CG2 3.88Å; W267-V588 VanDerWaalsContact O-CG2 3.27Å; W267-V588 WeakPolarHBondContact O-CG2 3.2Å; Y269-V588 HydrophobicContact CE2-CG1 4.49Å; V579-V588 HydrophobicContact CG1-CG1 4.48Å; V579-V588 HydrophobicContact CG2-CG1 3.89Å; C584-V588 HydrophobicContact CB-CB 3.78Å; C584-V588 HydrophobicContact CB-CG1 3.73Å; C584-V588 HydrophobicContact CB-CG2 4.2Å; C584-V588 WeakPolarHBondContact SG-CG1 3.44Å; I585-V588 HydrophobicContact CD1-CG2 4.49Å; I585-V588 HydrophobicContact CG1-CB 4.48Å; I585-V588 HydrophobicContact CG1-CG2 3.76Å; I585-V588 WeakPolarHBondContact O-CB 3.42Å; I585-V588 PolarHBondContact O-N 2.93Å; G586-V588 VanDerWaalsContact C-N 3.28Å; G586-V588 PolarHBondContact O-N 2.97Å; V588-E590 VanDerWaalsContact C-N 3.33Å; V588-D591 PolarHBondContact O-N 3.35Å; V588-A592 VanDerWaalsContact O-CB 3.31Å; V588-A592 WeakPolarHBondContact O-CB 3.17Å; V588-A592 PolarHBondContact O-N 2.66Å |
| 589 | V | 98.3 | Very high | 98.2 | Very high | 10 Ų | 10 | 30.1 Ų | 30.1 | 6% | 0.061 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -61 | -45.1 | 173.3 | 179.8 | 0 | 0 | 0 | 0 | 109.9 | E526 I529 I585 G586 A592 L593 | E526-V589 HydrophobicContact CG-CG2 4.07Å; E526-V589 WeakPolarHBondContact OE2-CG1 3.45Å; I529-V589 HydrophobicContact CD1-CG1 4.22Å; I529-V589 HydrophobicContact CG1-CG1 4.22Å; I585-V589 PolarHBondContact O-N 3Å; G586-V589 WeakPolarHBondContact O-CB 3.31Å; G586-V589 PolarHBondContact O-N 2.93Å; V589-A592 PolarHBondContact O-N 3.39Å; V589-L593 HydrophobicContact CG1-CD1 4.08Å; V589-L593 HydrophobicContact CG1-CG 4.4Å; V589-L593 WeakPolarHBondContact O-CB 3.44Å; V589-L593 VanDerWaalsContact O-CG 3.25Å; V589-L593 WeakPolarHBondContact O-CG 3.41Å; V589-L593 PolarHBondContact O-N 2.63Å |
| 590 | E | 97.9 | Very high | 98.2 | Very high | 129 Ų | 129 | 34 Ų | 34 | 60% | 0.603 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -57.8 | -52.1 | 174.6 | -71.1 | 173.1 | -178.2 | 0 | 0 | 112 | G586 V588 A592 L593 D594 | G586-E590 WeakPolarHBondContact O-CG 3.15Å; G586-E590 PolarHBondContact O-N 3.07Å; V588-E590 VanDerWaalsContact C-N 3.33Å; E590-A592 VanDerWaalsContact C-N 3.32Å; E590-A592 PolarHBondContact O-N 3.17Å; E590-L593 PolarHBondContact O-N 3.36Å; E590-D594 PolarHBondContact O-N 2.74Å |
| 591 | D | 97.8 | Very high | 98.2 | Very high | 42 Ų | 42 | 38.3 Ų | 38.3 | 23% | 0.225 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.4 | -46.4 | 176.5 | -78.6 | -15.6 | 0 | 0 | 0 | 111.6 | Y269 M587 V588 L593 D594 Y595 | Y269-D591 HydrophobicContact CD2-CB 3.95Å; Y269-D591 HydrophobicContact CE2-CB 4.09Å; M587-D591 PolarHBondContact O-N 2.98Å; V588-D591 PolarHBondContact O-N 3.35Å; D591-L593 PolarHBondContact O-N 2.84Å; D591-D594 PolarHBondContact O-N 2.88Å; D591-Y595 PolarHBondContact O-N 3.44Å |
| 592 | A | 98.5 | Very high | 98.2 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -64.7 | -41.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112 | I529 N574 V579 V588 V589 E590 D594 Y595 Y596 | I529-A592 HydrophobicContact CD1-CB 3.6Å; N574-A592 PolarHBondContact ND2-O 2.7Å; N574-A592 WeakPolarHBondContact OD1-CA 3.49Å; N574-A592 WeakPolarHBondContact OD1-CB 3.4Å; V579-A592 HydrophobicContact CG1-CB 3.9Å; V588-A592 VanDerWaalsContact O-CB 3.31Å; V588-A592 WeakPolarHBondContact O-CB 3.17Å; V588-A592 PolarHBondContact O-N 2.66Å; V589-A592 PolarHBondContact O-N 3.39Å; E590-A592 VanDerWaalsContact C-N 3.32Å; E590-A592 PolarHBondContact O-N 3.17Å; A592-D594 VanDerWaalsContact C-N 3.33Å; A592-D594 PolarHBondContact O-N 2.91Å; A592-Y595 PolarHBondContact O-N 2.79Å; A592-Y596 HydrophobicContact CB-CE2 4.49Å; A592-Y596 WeakPolarHBondContact O-CD2 3.5Å; A592-Y596 PolarHBondContact O-N 3.17Å |
| 593 | L | 98.4 | Very high | 98.2 | Very high | 36 Ų | 36 | 41 Ų | 41 | 19% | 0.188 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.8 | -36.8 | 175.6 | -70 | 176.5 | 0 | 0 | 0 | 112.3 | Q528 I529 E532 V589 E590 D591 Y596 K597 | Q528-L593 HydrophobicContact CB-CD2 4.37Å; Q528-L593 HydrophobicContact CG-CD2 3.71Å; I529-L593 HydrophobicContact CD1-CD2 3.91Å; I529-L593 HydrophobicContact CD1-CG 4.02Å; E532-L593 HydrophobicContact CG-CD2 4.07Å; V589-L593 HydrophobicContact CG1-CD1 4.08Å; V589-L593 HydrophobicContact CG1-CG 4.4Å; V589-L593 WeakPolarHBondContact O-CB 3.44Å; V589-L593 VanDerWaalsContact O-CG 3.25Å; V589-L593 WeakPolarHBondContact O-CG 3.41Å; V589-L593 PolarHBondContact O-N 2.63Å; E590-L593 PolarHBondContact O-N 3.36Å; D591-L593 PolarHBondContact O-N 2.84Å; L593-Y596 PolarHBondContact O-N 2.79Å; L593-K597 WeakPolarHBondContact O-CB 3.11Å; L593-K597 PolarHBondContact O-N 2.93Å |
| 594 | D | 98.6 | Very high | 98.1 | Very high | 88 Ų | 88 | 41.6 Ų | 41.6 | 47% | 0.471 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.9 | -41.4 | 173.5 | -84.5 | -20.1 | 0 | 0 | 0 | 111.7 | E590 D591 A592 Y596 K597 D598 | E590-D594 PolarHBondContact O-N 2.74Å; D591-D594 PolarHBondContact O-N 2.88Å; A592-D594 VanDerWaalsContact C-N 3.33Å; A592-D594 PolarHBondContact O-N 2.91Å; D594-Y596 PolarHBondContact O-N 2.92Å; D594-K597 WeakPolarHBondContact O-CB 3.47Å; D594-K597 PolarHBondContact O-N 3.02Å; D594-K597 VanDerWaalsContact O-N 3.14Å; D594-D598 PolarHBondContact O-N 3.29Å |
| 595 | Y | 98.6 | Very high | 98.1 | Very high | 60 Ų | 60 | 44 Ų | 44 | 24% | 0.235 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -63.4 | -39.7 | 174 | -63.2 | -14.5 | 0 | 0 | 0 | 112.7 | Y269 L570 L573 D591 A592 K597 D598 I599 | Y269-Y595 AromaticContact CD2-CE2 3.74Å; Y269-Y595 HydrophobicContact CD2-CE2 3.74Å; Y269-Y595 HydrophobicContact CE2-CD2 4.24Å; Y269-Y595 AromaticContact CE2-CE2 3.66Å; Y269-Y595 HydrophobicContact CE2-CE2 3.66Å; Y269-Y595 HydrophobicContact CG-CE2 4.48Å; L570-Y595 HydrophobicContact CD2-CD1 4.29Å; L570-Y595 HydrophobicContact CD2-CD2 4.34Å; L570-Y595 HydrophobicContact CD2-CG 4.12Å; L573-Y595 HydrophobicContact CD2-CD2 4.38Å; L573-Y595 HydrophobicContact CD2-CE2 3.88Å; D591-Y595 PolarHBondContact O-N 3.44Å; A592-Y595 PolarHBondContact O-N 2.79Å; Y595-K597 VanDerWaalsContact C-N 3.3Å; Y595-K597 PolarHBondContact O-N 3.05Å; Y595-D598 PolarHBondContact O-N 2.77Å; Y595-I599 VanDerWaalsContact O-CG1 3.29Å; Y595-I599 WeakPolarHBondContact O-CG1 3.47Å; Y595-I599 PolarHBondContact O-N 3.04Å |
| 596 | Y | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.2 | -36.1 | 173.1 | -69.3 | -54.5 | 0 | 0 | 0 | 112.6 | I529 E532 N533 C536 L571 N574 A592 L593 D594 I599 R600 | I529-Y596 HydrophobicContact CD1-CD2 4.44Å; I529-Y596 HydrophobicContact CD1-CE2 3.93Å; I529-Y596 HydrophobicContact CG2-CE2 4.17Å; E532-Y596 HydrophobicContact CB-CD1 4.07Å; E532-Y596 HydrophobicContact CB-CD2 3.43Å; E532-Y596 VanDerWaalsContact CB-CD2 3.43Å; E532-Y596 HydrophobicContact CB-CE1 4.45Å; E532-Y596 HydrophobicContact CB-CE2 3.88Å; E532-Y596 HydrophobicContact CB-CG 3.54Å; E532-Y596 HydrophobicContact CG-CD2 4.24Å; E532-Y596 HydrophobicContact CG-CG 4.46Å; N533-Y596 HydrophobicContact CB-CE1 4.22Å; N533-Y596 WeakPolarHBondContact CB-OH 3.46Å; C536-Y596 HydrophobicContact CB-CD1 4.23Å; L571-Y596 HydrophobicContact CD1-CD1 4.42Å; L571-Y596 HydrophobicContact CD1-CE1 3.73Å; N574-Y596 HydrophobicContact CB-CE1 4.17Å; N574-Y596 HydrophobicContact CB-CE2 4.29Å; N574-Y596 WeakPolarHBondContact CB-OH 3.43Å; N574-Y596 WeakPolarHBondContact ND2-CE2 3.35Å; A592-Y596 HydrophobicContact CB-CE2 4.49Å; A592-Y596 WeakPolarHBondContact O-CD2 3.5Å; A592-Y596 PolarHBondContact O-N 3.17Å; L593-Y596 PolarHBondContact O-N 2.79Å; D594-Y596 PolarHBondContact O-N 2.92Å; Y596-I599 HydrophobicContact CD1-CD1 4.25Å; Y596-I599 PolarHBondContact O-N 2.88Å; Y596-R600 WeakPolarHBondContact O-CG 3.37Å; Y596-R600 PolarHBondContact O-N 3.26Å |
| 597 | K | 98.6 | Very high | 98.2 | Very high | 106 Ų | 106 | 44 Ų | 44 | 46% | 0.461 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -64.6 | -41.9 | 174.2 | 179.6 | -177.5 | 172.6 | -169.6 | 0 | 111.3 | L593 D594 Y595 R600 N601 | L593-K597 WeakPolarHBondContact O-CB 3.11Å; L593-K597 PolarHBondContact O-N 2.93Å; D594-K597 WeakPolarHBondContact O-CB 3.47Å; D594-K597 PolarHBondContact O-N 3.02Å; D594-K597 VanDerWaalsContact O-N 3.14Å; Y595-K597 VanDerWaalsContact C-N 3.3Å; Y595-K597 PolarHBondContact O-N 3.05Å; K597-R600 PolarHBondContact O-N 2.85Å; K597-N601 WeakPolarHBondContact O-CB 3.28Å; K597-N601 PolarHBondContact O-N 3.03Å; K597-N601 PolarHBondContact O-ND2 3.25Å |
| 598 | D | 98.4 | Very high | 98.1 | Very high | 75 Ų | 75 | 47.5 Ų | 47.5 | 40% | 0.401 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -62 | -44.9 | 174.7 | -74.1 | -11.6 | 0 | 0 | 0 | 111.6 | D594 Y595 R600 N601 D602 | D594-D598 PolarHBondContact O-N 3.29Å; Y595-D598 PolarHBondContact O-N 2.77Å; D598-R600 VanDerWaalsContact C-N 3.32Å; D598-R600 PolarHBondContact O-N 2.79Å; D598-N601 PolarHBondContact O-N 2.83Å; D598-D602 WeakPolarHBondContact O-CB 3.28Å; D598-D602 PolarHBondContact O-N 2.57Å |
| 599 | I | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58 | -44.2 | 175.1 | -64.9 | 159.9 | 0 | 0 | 0 | 111.3 | C536 L540 L567 L570 L571 Y595 Y596 G603 | C536-I599 HydrophobicContact CB-CG2 3.94Å; L540-I599 HydrophobicContact CD1-CG2 4.44Å; L540-I599 HydrophobicContact CD2-CG2 4.3Å; L540-I599 HydrophobicContact CG-CG2 4.3Å; L567-I599 HydrophobicContact CB-CG1 4.48Å; L567-I599 HydrophobicContact CD2-CG1 4.49Å; L570-I599 HydrophobicContact CB-CD1 3.9Å; L570-I599 HydrophobicContact CB-CG1 4.05Å; L570-I599 HydrophobicContact CD1-CG1 4.39Å; L571-I599 HydrophobicContact CB-CD1 3.93Å; Y595-I599 VanDerWaalsContact O-CG1 3.29Å; Y595-I599 WeakPolarHBondContact O-CG1 3.47Å; Y595-I599 PolarHBondContact O-N 3.04Å; Y596-I599 HydrophobicContact CD1-CD1 4.25Å; Y596-I599 PolarHBondContact O-N 2.88Å; I599-G603 WeakPolarHBondContact O-CA 3.4Å; I599-G603 PolarHBondContact O-N 2.88Å |
| 600 | R | 98.4 | Very high | 97.9 | Very high | 84 Ų | 84 | 51.2 Ų | 51.2 | 32% | 0.317 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -67.6 | -42.2 | 178.8 | -74.4 | -175.3 | -64.9 | -163 | -8.7 | 113.1 | E532 L539 Y596 K597 D598 G604 | E532-R600 VanDerWaalsContact CD-NH2 3.33Å; E532-R600 IonicContact OE1-CZ 3.28Å; E532-R600 VanDerWaalsContact OE1-CZ 3.27Å; E532-R600 IonicContact OE1-NH1 2.94Å; E532-R600 PolarHBondContact OE1-NH1 2.79Å; E532-R600 IonicContact OE1-NH2 2.75Å; E532-R600 PolarHBondContact OE1-NH2 2.76Å; E532-R600 VanDerWaalsContact OE1-NH2 3.14Å; E532-R600 IonicContact OE2-CZ 3.85Å; E532-R600 IonicContact OE2-NE 2.73Å; E532-R600 PolarHBondContact OE2-NE 2.79Å; E532-R600 IonicContact OE2-NH1 2.69Å; E532-R600 PolarHBondContact OE2-NH1 2.78Å; E532-R600 IonicContact OE2-NH2 2.81Å; E532-R600 PolarHBondContact OE2-NH2 3.23Å; L539-R600 HydrophobicContact CD2-CB 4.49Å; L539-R600 HydrophobicContact CD2-CG 4.24Å; Y596-R600 WeakPolarHBondContact O-CG 3.37Å; Y596-R600 PolarHBondContact O-N 3.26Å; K597-R600 PolarHBondContact O-N 2.85Å; D598-R600 VanDerWaalsContact C-N 3.32Å; D598-R600 PolarHBondContact O-N 2.79Å; R600-G604 WeakPolarHBondContact O-CA 3.36Å; R600-G604 PolarHBondContact O-N 3.03Å |
| 601 | N | 97.9 | Very high | 97.8 | Very high | 89 Ų | 89 | 45.6 Ų | 45.6 | 48% | 0.476 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -65.9 | -54.5 | -179 | -72.1 | -25.1 | 0 | 0 | 0 | 110.9 | K597 D598 V605 | K597-N601 WeakPolarHBondContact O-CB 3.28Å; K597-N601 PolarHBondContact O-N 3.03Å; K597-N601 PolarHBondContact O-ND2 3.25Å; D598-N601 PolarHBondContact O-N 2.83Å; N601-V605 WeakPolarHBondContact O-CG2 3.27Å; N601-V605 PolarHBondContact O-N 2.92Å |
| 602 | D | 98.3 | Very high | 97.5 | Very high | 58 Ų | 58 | 50 Ų | 50 | 31% | 0.31 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -71.1 | -44.1 | -178.2 | -72.2 | -14.6 | 0 | 0 | 0 | 111.2 | R566 L567 D598 G604 V605 L606 | R566-D602 IonicContact CZ-OD2 2.86Å; R566-D602 IonicContact NH2-OD2 3.77Å; R566-D602 PolarHBondContact NH2-OD2 3.33Å; L567-D602 HydrophobicContact CD1-CB 4.08Å; L567-D602 HydrophobicContact CD2-CB 3.91Å; D598-D602 WeakPolarHBondContact O-CB 3.28Å; D598-D602 PolarHBondContact O-N 2.57Å; D602-G604 VanDerWaalsContact C-N 3.31Å; D602-G604 PolarHBondContact O-N 3.43Å; D602-V605 WeakPolarHBondContact O-CB 3.34Å; D602-V605 PolarHBondContact O-N 3.01Å; D602-V605 VanDerWaalsContact O-N 3.1Å; D602-L606 WeakPolarHBondContact O-CG 3.47Å; D602-L606 PolarHBondContact O-N 2.9Å |
| 603 | G | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.4 | -38.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | I543 I599 V605 L606 L607 | I543-G603 WeakPolarHBondContact CD1-O 3.24Å; I599-G603 WeakPolarHBondContact O-CA 3.4Å; I599-G603 PolarHBondContact O-N 2.88Å; G603-V605 VanDerWaalsContact C-N 3.28Å; G603-V605 PolarHBondContact O-N 3.26Å; G603-L606 PolarHBondContact O-N 2.82Å; G603-L607 WeakPolarHBondContact O-CB 3.33Å; G603-L607 PolarHBondContact O-N 2.97Å |
| 604 | G | 96.9 | Very high | 96.9 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 14% | 0.144 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.9 | -34.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | R600 D602 R608 | R600-G604 WeakPolarHBondContact O-CA 3.36Å; R600-G604 PolarHBondContact O-N 3.03Å; D602-G604 VanDerWaalsContact C-N 3.31Å; D602-G604 PolarHBondContact O-N 3.43Å; G604-R608 WeakPolarHBondContact O-CG 3.49Å; G604-R608 PolarHBondContact O-N 3.12Å; G604-R608 PolarHBondContact O-NH1 3.37Å; G604-R608 VanDerWaalsContact O-NH1 3.13Å |
| 605 | V | 97.9 | Very high | 96.3 | Very high | 51 Ų | 51 | 45.8 Ų | 45.8 | 31% | 0.309 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -66.2 | -50.1 | 171.8 | 176.4 | 0 | 0 | 0 | 0 | 110.2 | N601 D602 G603 L607 R608 E609 | N601-V605 WeakPolarHBondContact O-CG2 3.27Å; N601-V605 PolarHBondContact O-N 2.92Å; D602-V605 WeakPolarHBondContact O-CB 3.34Å; D602-V605 PolarHBondContact O-N 3.01Å; D602-V605 VanDerWaalsContact O-N 3.1Å; G603-V605 VanDerWaalsContact C-N 3.28Å; G603-V605 PolarHBondContact O-N 3.26Å; V605-L607 VanDerWaalsContact C-N 3.32Å; V605-L607 PolarHBondContact O-N 3.44Å; V605-R608 VanDerWaalsContact CG2-NH2 3.31Å; V605-R608 PolarHBondContact O-N 2.66Å; V605-R608 VanDerWaalsContact O-N 3.16Å; V605-E609 HydrophobicContact CG1-CG 4.32Å; V605-E609 WeakPolarHBondContact CG1-OE1 3.49Å; V605-E609 WeakPolarHBondContact O-CG 3.35Å; V605-E609 PolarHBondContact O-N 3.06Å |
| 606 | L | 98.2 | Very high | 95.4 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60.3 | -40.2 | -179.7 | -61.5 | -175.8 | 0 | 0 | 0 | 112.5 | I543 P560 K563 L564 L567 D602 G603 E609 A610 | I543-L606 HydrophobicContact CG2-CB 3.7Å; I543-L606 HydrophobicContact CG2-CD1 4.43Å; P560-L606 HydrophobicContact CB-CD1 4.44Å; P560-L606 HydrophobicContact CB-CD2 3.92Å; P560-L606 HydrophobicContact CG-CD1 4.24Å; P560-L606 HydrophobicContact CG-CD2 4.06Å; K563-L606 HydrophobicContact CB-CD1 4.11Å; K563-L606 HydrophobicContact CD-CD2 3.88Å; L564-L606 HydrophobicContact CD2-CD1 4.26Å; L564-L606 HydrophobicContact CG-CD1 4.15Å; L567-L606 HydrophobicContact CD1-CD1 4.06Å; D602-L606 WeakPolarHBondContact O-CG 3.47Å; D602-L606 PolarHBondContact O-N 2.9Å; G603-L606 PolarHBondContact O-N 2.82Å; L606-E609 PolarHBondContact O-N 2.91Å; L606-A610 WeakPolarHBondContact O-CB 3.45Å; L606-A610 PolarHBondContact O-N 2.87Å |
| 607 | L | 97.6 | Very high | 94.5 | Very high | 14 Ų | 14 | 54.7 Ų | 54.7 | 7% | 0.073 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.8 | -46.3 | 176.3 | -176.4 | 58 | 0 | 0 | 0 | 110.9 | L539 D542 I543 A546 G603 V605 A610 L611 R923 | L539-L607 HydrophobicContact CD1-CD2 3.97Å; D542-L607 HydrophobicContact CB-CD1 4.3Å; I543-L607 HydrophobicContact CG1-CB 3.75Å; I543-L607 HydrophobicContact CG1-CD1 4.37Å; A546-L607 HydrophobicContact CB-CD1 4.05Å; G603-L607 WeakPolarHBondContact O-CB 3.33Å; G603-L607 PolarHBondContact O-N 2.97Å; V605-L607 VanDerWaalsContact C-N 3.32Å; V605-L607 PolarHBondContact O-N 3.44Å; L607-A610 PolarHBondContact O-N 2.87Å; L607-L611 HydrophobicContact CD1-CD1 4.01Å; L607-L611 HydrophobicContact CD1-CG 4.08Å; L607-L611 HydrophobicContact CG-CD1 3.88Å; L607-L611 HydrophobicContact CG-CG 4.35Å; L607-L611 WeakPolarHBondContact O-CB 3.41Å; L607-L611 VanDerWaalsContact O-CG 3.22Å; L607-L611 WeakPolarHBondContact O-CG 3.39Å; L607-L611 PolarHBondContact O-N 2.9Å; L607-R923 HydrophobicContact CD2-CG 4.25Å |
| 608 | R | 95.9 | Very high | 93.6 | Very high | 138 Ų | 138 | 50.8 Ų | 50.8 | 52% | 0.521 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 178 | -74 | -170.6 | -55.5 | -87.9 | 2.7 | 111.5 | G604 V605 A610 L611 E612 | G604-R608 WeakPolarHBondContact O-CG 3.49Å; G604-R608 PolarHBondContact O-N 3.12Å; G604-R608 PolarHBondContact O-NH1 3.37Å; G604-R608 VanDerWaalsContact O-NH1 3.13Å; V605-R608 VanDerWaalsContact CG2-NH2 3.31Å; V605-R608 PolarHBondContact O-N 2.66Å; V605-R608 VanDerWaalsContact O-N 3.16Å; R608-A610 VanDerWaalsContact C-N 3.3Å; R608-A610 PolarHBondContact O-N 2.94Å; R608-L611 PolarHBondContact O-N 3.02Å; R608-E612 WeakPolarHBondContact O-CB 3.27Å; R608-E612 VanDerWaalsContact O-CG 3.31Å; R608-E612 WeakPolarHBondContact O-CG 3.35Å; R608-E612 PolarHBondContact O-N 2.92Å |
| 609 | E | 95.8 | Very high | 92.9 | Very high | 87 Ų | 87 | 51.1 Ų | 51.1 | 41% | 0.407 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -58 | -42.8 | 177.7 | -71.4 | 175.3 | 171.4 | 0 | 0 | 111.6 | V605 L606 A613 | V605-E609 HydrophobicContact CG1-CG 4.32Å; V605-E609 WeakPolarHBondContact CG1-OE1 3.49Å; V605-E609 WeakPolarHBondContact O-CG 3.35Å; V605-E609 PolarHBondContact O-N 3.06Å; L606-E609 PolarHBondContact O-N 2.91Å; E609-A613 VanDerWaalsContact O-CB 3.31Å; E609-A613 WeakPolarHBondContact O-CB 3.2Å; E609-A613 PolarHBondContact O-N 2.85Å |
| 610 | A | 96.7 | Very high | 92.3 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | A546 F557 L606 L607 R608 A613 L614 | A546-A610 HydrophobicContact CB-CB 3.81Å; F557-A610 HydrophobicContact CE2-CB 4.44Å; F557-A610 HydrophobicContact CZ-CB 4.16Å; L606-A610 WeakPolarHBondContact O-CB 3.45Å; L606-A610 PolarHBondContact O-N 2.87Å; L607-A610 PolarHBondContact O-N 2.87Å; R608-A610 VanDerWaalsContact C-N 3.3Å; R608-A610 PolarHBondContact O-N 2.94Å; A610-A613 PolarHBondContact O-N 3.46Å; A610-L614 WeakPolarHBondContact O-CG 3.11Å; A610-L614 PolarHBondContact O-N 3.34Å |
| 611 | L | 94.9 | Very high | 91.9 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.6 | -38.6 | 177.8 | -67.5 | 174.3 | 0 | 0 | 0 | 112 | A546 L607 R608 A613 L614 E615 F624 R923 I925 | A546-L611 HydrophobicContact CB-CD2 4.12Å; L607-L611 HydrophobicContact CD1-CD1 4.01Å; L607-L611 HydrophobicContact CD1-CG 4.08Å; L607-L611 HydrophobicContact CG-CD1 3.88Å; L607-L611 HydrophobicContact CG-CG 4.35Å; L607-L611 WeakPolarHBondContact O-CB 3.41Å; L607-L611 VanDerWaalsContact O-CG 3.22Å; L607-L611 WeakPolarHBondContact O-CG 3.39Å; L607-L611 PolarHBondContact O-N 2.9Å; R608-L611 PolarHBondContact O-N 3.02Å; L611-A613 VanDerWaalsContact C-N 3.35Å; L611-L614 HydrophobicContact CD2-CD1 4.3Å; L611-L614 WeakPolarHBondContact O-CB 3.48Å; L611-L614 PolarHBondContact O-N 2.88Å; L611-E615 PolarHBondContact O-N 2.88Å; L611-F624 HydrophobicContact CD2-CB 3.75Å; L611-F624 HydrophobicContact CD2-CD1 3.76Å; L611-F624 HydrophobicContact CD2-CD2 4.29Å; L611-F624 HydrophobicContact CD2-CE1 4.44Å; L611-F624 HydrophobicContact CD2-CG 3.66Å; L611-R923 HydrophobicContact CD1-CB 4.23Å; L611-I925 HydrophobicContact CB-CD1 4.1Å; L611-I925 HydrophobicContact CB-CG1 4.19Å; L611-I925 HydrophobicContact CD2-CD1 4.1Å; L611-I925 WeakPolarHBondContact O-CD1 3.33Å |
| 612 | E | 92.9 | Very high | 91.6 | Very high | 133 Ų | 133 | 47.6 Ų | 47.6 | 62% | 0.621 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -65.4 | -37.9 | 174.1 | -74.3 | 174.2 | -170.3 | 0 | 0 | 112 | R608 L614 E615 P616 | R608-E612 WeakPolarHBondContact O-CB 3.27Å; R608-E612 VanDerWaalsContact O-CG 3.31Å; R608-E612 WeakPolarHBondContact O-CG 3.35Å; R608-E612 PolarHBondContact O-N 2.92Å; E612-L614 VanDerWaalsContact C-N 3.32Å; E612-E615 CarbonylContact O-C 3.58Å; E612-E615 VanDerWaalsContact O-C 3.29Å; E612-P616 WeakPolarHBondContact O-CA 3.46Å |
| 613 | A | 93.4 | Very high | 91.4 | Very high | 18 Ų | 18 | 45.2 Ų | 45.2 | 15% | 0.149 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -70.2 | -27.7 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | A550 F557 E609 A610 L611 P616 | A550-A613 HydrophobicContact CB-CB 4.04Å; F557-A613 HydrophobicContact CB-CB 4.18Å; F557-A613 HydrophobicContact CD2-CB 3.37Å; F557-A613 HydrophobicContact CE2-CB 4Å; F557-A613 HydrophobicContact CG-CB 3.98Å; E609-A613 VanDerWaalsContact O-CB 3.31Å; E609-A613 WeakPolarHBondContact O-CB 3.2Å; E609-A613 PolarHBondContact O-N 2.85Å; A610-A613 PolarHBondContact O-N 3.46Å; L611-A613 VanDerWaalsContact C-N 3.35Å; A613-P616 WeakPolarHBondContact O-CD 3Å; A613-P616 WeakPolarHBondContact O-CG 3.31Å |
| 614 | L | 90.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.016 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -69.1 | -41.4 | 176 | -87.2 | 174.2 | 0 | 0 | 0 | 113.1 | A546 L549 A550 A610 L611 E612 F624 M656 I925 | A546-L614 HydrophobicContact CB-CD1 4.24Å; L549-L614 HydrophobicContact CB-CD1 4.36Å; L549-L614 HydrophobicContact CB-CD2 3.67Å; A550-L614 HydrophobicContact CB-CD2 4.33Å; A550-L614 HydrophobicContact CB-CG 4.05Å; A610-L614 WeakPolarHBondContact O-CG 3.11Å; A610-L614 PolarHBondContact O-N 3.34Å; L611-L614 HydrophobicContact CD2-CD1 4.3Å; L611-L614 WeakPolarHBondContact O-CB 3.48Å; L611-L614 PolarHBondContact O-N 2.88Å; E612-L614 VanDerWaalsContact C-N 3.32Å; L614-F624 HydrophobicContact CD1-CE2 4.36Å; L614-M656 HydrophobicContact CB-CE 3.81Å; L614-M656 HydrophobicContact CD1-CE 4.29Å; L614-M656 HydrophobicContact CD2-CE 4.27Å; L614-M656 HydrophobicContact CG-CE 4.37Å; L614-I925 HydrophobicContact CB-CD1 4.42Å |
| 615 | E | 86.8 | Confident | 91.4 | Very high | 16 Ų | 16 | 44.5 Ų | 44.5 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -127.6 | 76.1 | 174.4 | -76.1 | -72.4 | 129.1 | 0 | 0 | 111.6 | R553 L611 E612 K617 G618 M656 I925 S931 | R553-E615 IonicContact NH2-OE1 2.88Å; R553-E615 PolarHBondContact NH2-OE1 3.2Å; L611-E615 PolarHBondContact O-N 2.88Å; E612-E615 CarbonylContact O-C 3.58Å; E612-E615 VanDerWaalsContact O-C 3.29Å; E615-K617 PolarHBondContact O-N 2.59Å; E615-G618 PolarHBondContact O-N 3.38Å; E615-M656 HydrophobicContact CG-CE 3.84Å; E615-M656 HydrophobicContact CG-SD 3.15Å; E615-M656 WeakPolarHBondContact CG-SD 3.43Å; E615-I925 HydrophobicContact CB-CD1 4.35Å; E615-I925 HydrophobicContact CG-CD1 4.38Å; E615-S931 PolarHBondContact OE2-OG 2.86Å |
| 616 | P | 79.7 | Confident | 91.4 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 34% | 0.344 | 22% | 0.224 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 136 | 177.8 | -21.6 | 31.8 | 0 | 0 | 0 | 110.1 | E612 A613 R928 | E612-P616 WeakPolarHBondContact O-CA 3.46Å; A613-P616 WeakPolarHBondContact O-CD 3Å; A613-P616 WeakPolarHBondContact O-CG 3.31Å; P616-R928 PolarHBondContact O-NE 2.95Å; P616-R928 PolarHBondContact O-NH2 2.89Å |
| 617 | K | 80.2 | Confident | 91.3 | Very high | 193 Ų | 193 | 42.2 Ų | 42.2 | 84% | 0.839 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 69.5 | 23.2 | -179.3 | -46.9 | 174.5 | -179.6 | 176.3 | 0 | 115 | E615 | E615-K617 PolarHBondContact O-N 2.59Š|
| 618 | G | 79.5 | Confident | 91.3 | Very high | 24 Ų | 24 | 42 Ų | 42 | 25% | 0.247 | 22% | 0.223 | C | C | . | . | trans | -61.8 | 143.8 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E615 Q926 C927 | E615-G618 PolarHBondContact O-N 3.38Å; G618-Q926 WeakPolarHBondContact CA-O 3.26Å; G618-C927 CarbonylContact C-O 3.6Å; G618-C927 VanDerWaalsContact CA-C 3.46Å; G618-C927 VanDerWaalsContact CA-O 3.31Å; G618-C927 WeakPolarHBondContact CA-O 3.43Å | ||
| 619 | S | 83.1 | Confident | 91.3 | Very high | 83 Ų | 83 | 37.4 Ų | 37.4 | 58% | 0.58 | 21% | 0.206 | S | C | * | . | trans | -142.4 | -5.3 | 179.2 | 62.4 | 0 | 0 | 0 | 0 | 113.9 | C927 | S619-C927 PolarHBondContact N-O 2.88Š| ||
| 620 | S | 86.8 | Confident | 91.3 | Very high | 39 Ų | 39 | 38.4 Ų | 38.4 | 27% | 0.273 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 143.4 | 179.1 | -59.9 | 0 | 0 | 0 | 0 | 110.1 | G622 Q926 C927 | S620-G622 PolarHBondContact O-N 3.43Å; S620-Q926 CarbonylContact O-C 3.59Å; S620-Q926 WeakPolarHBondContact O-CA 3.45Å; S620-Q926 PolarHBondContact O-OE1 3.16Å; S620-C927 PolarHBondContact N-O 2.61Å; S620-C927 PolarHBondContact O-N 2.82Å |
| 621 | P | 89.7 | Confident | 91.1 | Very high | 56 Ų | 56 | 39 Ų | 39 | 36% | 0.364 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -57.8 | 134.2 | 178.5 | -25.1 | 34.2 | 0 | 0 | 0 | 112.8 | I637 V659 | P621-I637 HydrophobicContact CB-CG2 3.78Å; P621-I637 HydrophobicContact CG-CG2 4.29Å; P621-V659 HydrophobicContact CB-CB 4.25Å; P621-V659 HydrophobicContact CB-CG2 3.99Å; P621-V659 WeakPolarHBondContact O-CB 3.35Å; P621-V659 WeakPolarHBondContact O-CG2 3.37Å; P621-V659 PolarHBondContact O-N 3.09Å |
| 622 | G | 91.8 | Very high | 91 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 4% | 0.041 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 170.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | S620 A657 I925 | S620-G622 PolarHBondContact O-N 3.43Å; G622-A657 CarbonylContact C-O 3.53Å; G622-A657 VanDerWaalsContact CA-O 3.27Å; G622-A657 WeakPolarHBondContact CA-O 3.35Å; G622-I925 VanDerWaalsContact C-CG2 3.48Å; G622-I925 CarbonylContact C-O 3.51Å; G622-I925 VanDerWaalsContact CA-O 3.27Å; G622-I925 WeakPolarHBondContact CA-O 3.13Å; G622-I925 PolarHBondContact N-O 3.31Å; G622-I925 PolarHBondContact O-N 2.82Å; G622-I925 VanDerWaalsContact O-O 3.09Å |
| 623 | V | 94.5 | Very high | 91.1 | Very high | 7 Ų | 7 | 35.1 Ų | 35.1 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 143.7 | 172.7 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | V635 V649 A651 M656 A657 V659 L922 R923 | V623-V635 HydrophobicContact CG1-CG2 4.46Å; V623-V649 HydrophobicContact CG1-CG1 4.22Å; V623-V649 HydrophobicContact CG2-CG1 3.5Å; V623-A651 HydrophobicContact CG2-CB 3.8Å; V623-M656 CarbonylContact O-C 3.43Å; V623-M656 WeakPolarHBondContact O-CA 3.25Å; V623-A657 PolarHBondContact N-O 2.82Å; V623-A657 PolarHBondContact O-N 3.3Å; V623-V659 HydrophobicContact CG1-CG2 4.3Å; V623-L922 HydrophobicContact CB-CB 4.34Å; V623-L922 HydrophobicContact CG2-CD1 4.43Å; V623-R923 CarbonylContact C-O 3.53Å; V623-R923 WeakPolarHBondContact CA-O 3.47Å |
| 624 | F | 96.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.9 | 169.4 | 174.5 | -106 | 0 | 0 | 0 | 109.3 | A546 L549 L611 L614 G655 R923 I925 | A546-F624 HydrophobicContact CB-CE1 4.13Å; A546-F624 HydrophobicContact CB-CZ 4.27Å; L549-F624 HydrophobicContact CD1-CE2 3.83Å; L549-F624 HydrophobicContact CD1-CZ 4.08Å; L611-F624 HydrophobicContact CD2-CB 3.75Å; L611-F624 HydrophobicContact CD2-CD1 3.76Å; L611-F624 HydrophobicContact CD2-CD2 4.29Å; L611-F624 HydrophobicContact CD2-CE1 4.44Å; L611-F624 HydrophobicContact CD2-CG 3.66Å; L614-F624 HydrophobicContact CD1-CE2 4.36Å; F624-G655 CarbonylContact C-O 3.58Å; F624-G655 WeakPolarHBondContact CA-O 3.19Å; F624-G655 WeakPolarHBondContact CD2-O 3.33Å; F624-R923 HydrophobicContact CB-CB 4.31Å; F624-R923 HydrophobicContact CD1-CB 4.37Å; F624-R923 PolarHBondContact N-O 2.83Å; F624-R923 PolarHBondContact O-N 2.86Å; F624-I925 HydrophobicContact CB-CG2 4.32Å |
| 625 | N | 97.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 115.8 | 175.6 | 178.6 | 24 | 0 | 0 | 0 | 109.1 | L627 W629 R631 A651 P652 V654 G655 L922 | N625-L627 WeakPolarHBondContact OD1-CB 3.18Å; N625-L627 PolarHBondContact OD1-N 2.74Å; N625-W629 PolarHBondContact ND2-O 2.86Å; N625-R631 VanDerWaalsContact OD1-CZ 3.31Å; N625-R631 PolarHBondContact OD1-NE 2.8Å; N625-R631 PolarHBondContact OD1-NH2 2.8Å; N625-A651 HydrophobicContact CB-CB 3.8Å; N625-P652 VanDerWaalsContact CB-O 3.31Å; N625-P652 WeakPolarHBondContact CB-O 3.19Å; N625-P652 PolarHBondContact ND2-O 3.03Å; N625-V654 CarbonylContact O-C 3.59Å; N625-V654 WeakPolarHBondContact O-CA 3.06Å; N625-V654 PolarHBondContact O-N 2.63Å; N625-G655 PolarHBondContact N-O 3.4Å; N625-G655 PolarHBondContact O-N 3.31Å; N625-L922 HydrophobicContact CB-CD2 3.58Å |
| 626 | S | 97.1 | Very high | 91.2 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | trans | -83.9 | -11 | 175.8 | 53.3 | 0 | 0 | 0 | 0 | 113.8 | D542 | D542-S626 WeakPolarHBondContact OD1-CB 3.27Å; D542-S626 PolarHBondContact OD1-OG 3.33Å | ||
| 627 | L | 97.6 | Very high | 91.3 | Very high | 3 Ų | 3 | 40.3 Ų | 40.3 | 2% | 0.016 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -84.5 | 152.9 | -176.2 | -62.7 | -179.3 | 0 | 0 | 0 | 112.8 | N625 W629 S653 V654 Y916 Y920 | N625-L627 WeakPolarHBondContact OD1-CB 3.18Å; N625-L627 PolarHBondContact OD1-N 2.74Å; L627-W629 VanDerWaalsContact C-N 3.26Å; L627-W629 HydrophobicContact CB-CZ2 4.19Å; L627-W629 HydrophobicContact CD1-CZ2 3.81Å; L627-W629 HydrophobicContact CD2-CZ2 4.46Å; L627-W629 HydrophobicContact CG-CZ2 4.4Å; L627-W629 PolarHBondContact O-N 3.41Å; L627-W629 VanDerWaalsContact O-N 3.17Å; L627-S653 CarbonylContact O-C 3.29Å; L627-S653 WeakPolarHBondContact O-CA 3.17Å; L627-V654 PolarHBondContact O-N 3.08Å; L627-Y916 HydrophobicContact CD2-CD1 3.97Å; L627-Y920 HydrophobicContact CD2-CD1 4.11Å; L627-Y920 HydrophobicContact CD2-CD2 4.23Å; L627-Y920 HydrophobicContact CD2-CG 3.82Å |
| 628 | P | 96.1 | Very high | 91 | Very high | 9 Ų | 9 | 34.6 Ų | 34.6 | 6% | 0.058 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -85.6 | 17.1 | -170 | 36.1 | -37.4 | 0 | 0 | 0 | 115.8 | S653 V654 V945 L946 | P628-S653 WeakPolarHBondContact O-CB 3.13Å; P628-V654 HydrophobicContact CB-CG2 4.22Å; P628-V945 HydrophobicContact CG-CG1 4.26Å; P628-L946 HydrophobicContact CB-CB 3.72Å; P628-L946 HydrophobicContact CB-CD2 4.44Å; P628-L946 HydrophobicContact CB-CG 4.44Å; P628-L946 HydrophobicContact CG-CB 4.15Å; P628-L946 WeakPolarHBondContact CG-O 3.18Å |
| 629 | W | 96.5 | Very high | 90.4 | Very high | 42 Ų | 42 | 38 Ų | 38 | 16% | 0.159 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -132.3 | 155 | 172.2 | 48.7 | 84.2 | 0 | 0 | 0 | 110.9 | N625 L627 Q913 Y916 V945 | N625-W629 PolarHBondContact ND2-O 2.86Å; L627-W629 VanDerWaalsContact C-N 3.26Å; L627-W629 HydrophobicContact CB-CZ2 4.19Å; L627-W629 HydrophobicContact CD1-CZ2 3.81Å; L627-W629 HydrophobicContact CD2-CZ2 4.46Å; L627-W629 HydrophobicContact CG-CZ2 4.4Å; L627-W629 PolarHBondContact O-N 3.41Å; L627-W629 VanDerWaalsContact O-N 3.17Å; W629-Q913 HydrophobicContact CD2-CB 4.13Å; W629-Q913 HydrophobicContact CD2-CG 3.64Å; W629-Q913 HydrophobicContact CE3-CG 3.78Å; W629-Q913 HydrophobicContact CG-CG 4.2Å; W629-Q913 HydrophobicContact CH2-CB 4.35Å; W629-Q913 HydrophobicContact CH2-CG 4.09Å; W629-Q913 VanDerWaalsContact CZ2-CA 3.47Å; W629-Q913 HydrophobicContact CZ2-CB 3.79Å; W629-Q913 HydrophobicContact CZ2-CG 3.94Å; W629-Q913 HydrophobicContact CZ3-CG 4Å; W629-Y916 HydrophobicContact CH2-CD2 4.05Å; W629-Y916 AromaticContact CH2-CG 3.88Å; W629-Y916 HydrophobicContact CH2-CG 3.88Å; W629-Y916 HydrophobicContact CZ2-CG 4.2Å; W629-V945 HydrophobicContact CZ3-CG1 4.12Å; W629-V945 HydrophobicContact CZ3-CG2 4.25Å |
| 630 | E | 95.4 | Very high | 89.3 | Confident | 107 Ų | 107 | 36.2 Ų | 36.2 | 50% | 0.5 | 21% | 0.212 | S | C | . | . | trans | -66.6 | 139.4 | 167.8 | -175.1 | -177.2 | 91.8 | 0 | 0 | 109.5 | R650 A651 | E630-R650 HydrophobicContact CG-CG 3.98Å; E630-R650 WeakPolarHBondContact OE1-CD 3.31Å; E630-R650 IonicContact OE1-CZ 3.27Å; E630-R650 IonicContact OE1-NE 3.14Å; E630-R650 IonicContact OE1-NH1 3.19Å; E630-R650 PolarHBondContact OE1-NH1 3.17Å; E630-A651 WeakPolarHBondContact CA-O 3.14Å; E630-A651 WeakPolarHBondContact CG-O 3.4Å | ||
| 631 | R | 93.8 | Very high | 87.8 | Confident | 13 Ų | 13 | 40.7 Ų | 40.7 | 5% | 0.049 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 151.9 | 175.8 | 60.3 | -166.4 | -179.5 | 146 | -16.8 | 111.9 | N625 E633 R650 A651 S917 Y920 L922 | N625-R631 VanDerWaalsContact OD1-CZ 3.31Å; N625-R631 PolarHBondContact OD1-NE 2.8Å; N625-R631 PolarHBondContact OD1-NH2 2.8Å; R631-E633 VanDerWaalsContact CD-OE1 3.27Å; R631-E633 WeakPolarHBondContact CD-OE1 3.38Å; R631-E633 HydrophobicContact CG-CG 4.45Å; R631-E633 IonicContact CZ-OE1 3Å; R631-E633 IonicContact CZ-OE2 3.93Å; R631-E633 IonicContact NE-OE1 2.87Å; R631-E633 IonicContact NH1-OE1 3.72Å; R631-E633 PolarHBondContact NH1-OE1 2.89Å; R631-E633 IonicContact NH1-OE2 3.39Å; R631-E633 PolarHBondContact NH1-OE2 3.23Å; R631-R650 WeakPolarHBondContact O-CA 3.21Å; R631-A651 PolarHBondContact N-O 2.93Å; R631-A651 PolarHBondContact O-N 3.12Å; R631-S917 WeakPolarHBondContact CD-OG 3.31Å; R631-Y920 VanDerWaalsContact CZ-O 3.27Å; R631-Y920 PolarHBondContact NH1-O 2.79Å; R631-Y920 PolarHBondContact NH2-O 3.38Å; R631-L922 HydrophobicContact CG-CD2 4.46Å |
| 632 | C | 92.8 | Very high | 86.3 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 18% | 0.182 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 114.8 | 175.6 | -162 | 0 | 0 | 0 | 0 | 108.4 | L648 V649 M783 | C632-L648 VanDerWaalsContact SG-CD1 3.56Å; C632-V649 VanDerWaalsContact CA-O 3.3Å; C632-V649 WeakPolarHBondContact CA-O 3.26Å; C632-M783 HydrophobicContact CB-CE 4.48Å |
| 633 | E | 93.4 | Very high | 85 | Confident | 37 Ų | 37 | 50.7 Ų | 50.7 | 17% | 0.173 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 150.4 | -171.8 | -68.4 | -176.4 | -174.3 | 0 | 0 | 111.3 | R631 V635 V649 S917 L922 | R631-E633 VanDerWaalsContact CD-OE1 3.27Å; R631-E633 WeakPolarHBondContact CD-OE1 3.38Å; R631-E633 HydrophobicContact CG-CG 4.45Å; R631-E633 IonicContact CZ-OE1 3Å; R631-E633 IonicContact CZ-OE2 3.93Å; R631-E633 IonicContact NE-OE1 2.87Å; R631-E633 IonicContact NH1-OE1 3.72Å; R631-E633 PolarHBondContact NH1-OE1 2.89Å; R631-E633 IonicContact NH1-OE2 3.39Å; R631-E633 PolarHBondContact NH1-OE2 3.23Å; E633-V635 PolarHBondContact O-N 3.18Å; E633-V649 PolarHBondContact N-O 3.46Å; E633-V649 PolarHBondContact O-N 2.82Å; E633-S917 WeakPolarHBondContact OE1-CB 3.45Å; E633-S917 PolarHBondContact OE1-OG 2.87Å; E633-L922 HydrophobicContact CB-CD1 4.06Å |
| 634 | V | 93.4 | Very high | 84.2 | Confident | 13 Ų | 13 | 53.4 Ų | 53.4 | 8% | 0.079 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 109.9 | 174.1 | -178.6 | 0 | 0 | 0 | 0 | 108.7 | L646 A647 L648 V758 R759 D781 | V634-L646 HydrophobicContact CG1-CB 4.24Å; V634-L646 HydrophobicContact CG1-CD2 4.37Å; V634-A647 WeakPolarHBondContact CA-O 3.27Å; V634-L648 HydrophobicContact CG2-CD1 3.9Å; V634-V758 HydrophobicContact CG1-CB 4.41Å; V634-V758 HydrophobicContact CG1-CG2 4.14Å; V634-V758 HydrophobicContact CG2-CB 4.33Å; V634-V758 WeakPolarHBondContact CG2-O 3.44Å; V634-R759 HydrophobicContact CG1-CB 4.38Å; V634-R759 PolarHBondContact O-NH2 3.04Å; V634-D781 HydrophobicContact CB-CB 4.4Å; V634-D781 HydrophobicContact CG2-CB 3.9Å |
| 635 | V | 91 | Very high | 83.7 | Confident | 22 Ų | 22 | 57.6 Ų | 57.6 | 13% | 0.133 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 154.8 | -179.7 | -66.2 | 0 | 0 | 0 | 0 | 111 | V623 E633 I637 L646 A647 V649 L922 | V623-V635 HydrophobicContact CG1-CG2 4.46Å; E633-V635 PolarHBondContact O-N 3.18Å; V635-I637 HydrophobicContact CG2-CD1 3.77Å; V635-I637 HydrophobicContact CG2-CG1 3.74Å; V635-L646 WeakPolarHBondContact O-CA 3.21Å; V635-A647 PolarHBondContact N-O 3.32Å; V635-A647 PolarHBondContact O-N 2.77Å; V635-V649 HydrophobicContact CG2-CB 4.09Å; V635-V649 HydrophobicContact CG2-CG2 3.53Å; V635-L922 HydrophobicContact CG1-CB 4.05Å; V635-L922 HydrophobicContact CG1-CD1 3.8Å; V635-L922 HydrophobicContact CG1-CG 4.46Å |
| 636 | Q | 88.5 | Confident | 83.3 | Confident | 138 Ų | 138 | 59.9 Ų | 59.9 | 65% | 0.645 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 125.3 | 170.6 | -172.1 | 172.8 | 7.6 | 0 | 0 | 108.7 | S644 L646 | Q636-S644 PolarHBondContact NE2-OG 2.78Å; Q636-L646 HydrophobicContact CB-CD2 4.26Å |
| 637 | I | 82.3 | Confident | 83 | Confident | 25 Ų | 25 | 59.9 Ų | 59.9 | 13% | 0.128 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 141.5 | -174.2 | -49.3 | -174.7 | 0 | 0 | 0 | 108.6 | P621 V635 D639 S644 K645 A647 V649 V659 | P621-I637 HydrophobicContact CB-CG2 3.78Å; P621-I637 HydrophobicContact CG-CG2 4.29Å; V635-I637 HydrophobicContact CG2-CD1 3.77Å; V635-I637 HydrophobicContact CG2-CG1 3.74Å; I637-D639 PolarHBondContact O-N 2.88Å; I637-S644 CarbonylContact O-C 3.53Å; I637-S644 VanDerWaalsContact O-CA 3.24Å; I637-S644 WeakPolarHBondContact O-CA 3.28Å; I637-K645 PolarHBondContact N-O 2.9Å; I637-K645 PolarHBondContact O-N 2.79Å; I637-A647 HydrophobicContact CD1-CB 3.54Å; I637-A647 HydrophobicContact CG1-CB 4.28Å; I637-V649 HydrophobicContact CD1-CG2 3.93Å; I637-V659 HydrophobicContact CD1-CB 4.02Å; I637-V659 HydrophobicContact CD1-CG1 3.22Å; I637-V659 HydrophobicContact CD1-CG2 3.56Å |
| 638 | A | 74.8 | Confident | 82.7 | Confident | 74 Ų | 74 | 59.8 Ų | 59.8 | 61% | 0.612 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 129.5 | 173 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 639 | D | 65.9 | Low | 82.5 | Confident | 95 Ų | 95 | 59.4 Ų | 59.4 | 51% | 0.508 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -122.7 | 50.2 | 178.7 | -167.8 | 19.9 | 0 | 0 | 0 | 109.5 | I637 I643 K645 | I637-D639 PolarHBondContact O-N 2.88Å; D639-I643 HydrophobicContact CB-CB 4.45Å; D639-I643 HydrophobicContact CB-CG2 4.16Å; D639-I643 PolarHBondContact N-O 2.8Å; D639-I643 WeakPolarHBondContact O-CB 3.4Å; D639-K645 HydrophobicContact CB-CB 4.08Å |
| 640 | G | 59.3 | Low | 82.4 | Confident | 45 Ų | 45 | 62.8 Ų | 62.8 | 46% | 0.464 | 35% | 0.348 | S | S | . | . | S | Bend | trans | 113.2 | -177.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | D642 | G640-D642 VanDerWaalsContact C-N 3.32Å; G640-D642 PolarHBondContact O-N 3.27Å |
| 641 | P | 55 | Low | 82.3 | Confident | 133 Ų | 133 | 57.7 Ų | 57.7 | 86% | 0.864 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -63.1 | -32.4 | -173.6 | -22 | 32.7 | 0 | 0 | 0 | 114.5 | ||
| 642 | D | 58.1 | Low | 82.4 | Confident | 160 Ų | 160 | 57.8 Ų | 57.8 | 86% | 0.856 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -133 | 4.5 | -172 | -63.6 | -50.7 | 0 | 0 | 0 | 113.9 | G640 | G640-D642 VanDerWaalsContact C-N 3.32Å; G640-D642 PolarHBondContact O-N 3.27Å |
| 643 | I | 66.4 | Low | 82.6 | Confident | 110 Ų | 110 | 57 Ų | 57 | 56% | 0.564 | 32% | 0.322 | S | S | * | . | trans | -111.7 | 135.5 | -178.5 | -55.1 | 173.6 | 0 | 0 | 0 | 107.8 | D639 | D639-I643 HydrophobicContact CB-CB 4.45Å; D639-I643 HydrophobicContact CB-CG2 4.16Å; D639-I643 PolarHBondContact N-O 2.8Å; D639-I643 WeakPolarHBondContact O-CB 3.4Å | ||
| 644 | S | 75.8 | Confident | 82.8 | Confident | 64 Ų | 64 | 55.2 Ų | 55.2 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.9 | 171.9 | 59.5 | 0 | 0 | 0 | 0 | 109.7 | Q636 I637 | Q636-S644 PolarHBondContact NE2-OG 2.78Å; I637-S644 CarbonylContact O-C 3.53Å; I637-S644 VanDerWaalsContact O-CA 3.24Å; I637-S644 WeakPolarHBondContact O-CA 3.28Å |
| 645 | K | 86.2 | Confident | 82.9 | Confident | 89 Ų | 89 | 54.6 Ų | 54.6 | 39% | 0.387 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 144.8 | 179 | -176.2 | -179 | 173.3 | -169.2 | 0 | 109.5 | I637 D639 E661 | I637-K645 PolarHBondContact N-O 2.9Å; I637-K645 PolarHBondContact O-N 2.79Å; D639-K645 HydrophobicContact CB-CB 4.08Å; K645-E661 WeakPolarHBondContact CE-OE1 3.48Å; K645-E661 IonicContact NZ-OE1 2.62Å; K645-E661 PolarHBondContact NZ-OE1 2.91Å; K645-E661 IonicContact NZ-OE2 3.01Å; K645-E661 PolarHBondContact NZ-OE2 2.78Å |
| 646 | L | 90.4 | Very high | 83 | Confident | 47 Ų | 47 | 53.7 Ų | 53.7 | 25% | 0.246 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 130.9 | 170.1 | -64 | 177.8 | 0 | 0 | 0 | 109.8 | V634 V635 Q636 L754 V758 R759 | V634-L646 HydrophobicContact CG1-CB 4.24Å; V634-L646 HydrophobicContact CG1-CD2 4.37Å; V635-L646 WeakPolarHBondContact O-CA 3.21Å; Q636-L646 HydrophobicContact CB-CD2 4.26Å; L646-L754 HydrophobicContact CD1-CD1 4.13Å; L646-V758 HydrophobicContact CB-CG2 3.75Å; L646-R759 HydrophobicContact CD1-CB 3.85Å; L646-R759 HydrophobicContact CD1-CG 4.41Å |
| 647 | A | 89.7 | Confident | 83.2 | Confident | 5 Ų | 5 | 47.2 Ų | 47.2 | 4% | 0.041 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 142.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | V634 V635 I637 V649 E661 | V634-A647 WeakPolarHBondContact CA-O 3.27Å; V635-A647 PolarHBondContact N-O 3.32Å; V635-A647 PolarHBondContact O-N 2.77Å; I637-A647 HydrophobicContact CD1-CB 3.54Å; I637-A647 HydrophobicContact CG1-CB 4.28Å; A647-V649 HydrophobicContact CB-CG2 4.19Å; A647-E661 HydrophobicContact CB-CG 4.23Å |
| 648 | L | 92.3 | Very high | 83.6 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 116.8 | 169.2 | -179.4 | 68.2 | 0 | 0 | 0 | 108.3 | C632 V634 T662 P664 V758 M783 | C632-L648 VanDerWaalsContact SG-CD1 3.56Å; V634-L648 HydrophobicContact CG2-CD1 3.9Å; L648-T662 WeakPolarHBondContact CB-O 3.31Å; L648-T662 HydrophobicContact CD2-CG2 4.34Å; L648-T662 PolarHBondContact O-N 2.66Å; L648-T662 VanDerWaalsContact O-N 3.08Å; L648-P664 HydrophobicContact CD2-CB 3.97Å; L648-V758 HydrophobicContact CB-CG1 4.29Å; L648-M783 HydrophobicContact CD2-SD 3.87Å |
| 649 | V | 91.7 | Very high | 84.3 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.006 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 136 | -174.7 | -176.4 | 0 | 0 | 0 | 0 | 109.7 | V623 C632 E633 V635 I637 A647 V659 | V623-V649 HydrophobicContact CG1-CG1 4.22Å; V623-V649 HydrophobicContact CG2-CG1 3.5Å; C632-V649 VanDerWaalsContact CA-O 3.3Å; C632-V649 WeakPolarHBondContact CA-O 3.26Å; E633-V649 PolarHBondContact N-O 3.46Å; E633-V649 PolarHBondContact O-N 2.82Å; V635-V649 HydrophobicContact CG2-CB 4.09Å; V635-V649 HydrophobicContact CG2-CG2 3.53Å; I637-V649 HydrophobicContact CD1-CG2 3.93Å; A647-V649 HydrophobicContact CB-CG2 4.19Å; V649-V659 HydrophobicContact CG2-CG1 4.1Å; V649-V659 HydrophobicContact CG2-CG2 4.35Å |
| 650 | R | 93.4 | Very high | 85 | Confident | 112 Ų | 112 | 47.3 Ų | 47.3 | 42% | 0.423 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 123.7 | 170.6 | -176.4 | 177.8 | -63.6 | -98.6 | -3.9 | 108.8 | E630 R631 | E630-R650 HydrophobicContact CG-CG 3.98Å; E630-R650 WeakPolarHBondContact OE1-CD 3.31Å; E630-R650 IonicContact OE1-CZ 3.27Å; E630-R650 IonicContact OE1-NE 3.14Å; E630-R650 IonicContact OE1-NH1 3.19Å; E630-R650 PolarHBondContact OE1-NH1 3.17Å; R631-R650 WeakPolarHBondContact O-CA 3.21Å |
| 651 | A | 94.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 127.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | V623 N625 E630 R631 L922 | V623-A651 HydrophobicContact CG2-CB 3.8Å; N625-A651 HydrophobicContact CB-CB 3.8Å; E630-A651 WeakPolarHBondContact CA-O 3.14Å; E630-A651 WeakPolarHBondContact CG-O 3.4Å; R631-A651 PolarHBondContact N-O 2.93Å; R631-A651 PolarHBondContact O-N 3.12Å; A651-L922 HydrophobicContact CB-CD1 4.21Å; A651-L922 HydrophobicContact CB-CD2 3.65Å |
| 652 | P | 96.1 | Very high | 86.7 | Confident | 15 Ų | 15 | 46.3 Ų | 46.3 | 10% | 0.097 | 24% | 0.235 | C | C | . | . | trans | -66.5 | 164.7 | 178.7 | 29.5 | -35.8 | 0 | 0 | 0 | 111.6 | N625 M656 P933 W934 | N625-P652 VanDerWaalsContact CB-O 3.31Å; N625-P652 WeakPolarHBondContact CB-O 3.19Å; N625-P652 PolarHBondContact ND2-O 3.03Å; P652-M656 WeakPolarHBondContact CG-O 3.48Å; P652-P933 HydrophobicContact CG-CB 4.45Å; P652-W934 WeakPolarHBondContact CG-O 3.08Å | ||
| 653 | S | 96.6 | Very high | 88 | Confident | 11 Ų | 11 | 46 Ų | 46 | 8% | 0.077 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 138.3 | 175 | 53.2 | 0 | 0 | 0 | 0 | 111.6 | L627 P628 G655 S935 F937 | L627-S653 CarbonylContact O-C 3.29Å; L627-S653 WeakPolarHBondContact O-CA 3.17Å; P628-S653 WeakPolarHBondContact O-CB 3.13Å; S653-G655 VanDerWaalsContact C-N 3.34Å; S653-G655 PolarHBondContact O-N 2.75Å; S653-S935 WeakPolarHBondContact O-CA 3.25Å; S653-S935 WeakPolarHBondContact O-CB 3.31Å; S653-S935 PolarHBondContact O-OG 2.62Å; S653-S935 PolarHBondContact OG-OG 2.86Å; S653-F937 VanDerWaalsContact CB-O 3.32Å; S653-F937 WeakPolarHBondContact CB-O 3.34Å; S653-F937 PolarHBondContact OG-O 2.68Å |
| 654 | V | 97.2 | Very high | 88.9 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 36.5 | 63.1 | 177.9 | -166.1 | 0 | 0 | 0 | 0 | 111.9 | L549 N625 L627 P628 A936 F937 L946 I949 | L549-V654 HydrophobicContact CD1-CG1 3.98Å; N625-V654 CarbonylContact O-C 3.59Å; N625-V654 WeakPolarHBondContact O-CA 3.06Å; N625-V654 PolarHBondContact O-N 2.63Å; L627-V654 PolarHBondContact O-N 3.08Å; P628-V654 HydrophobicContact CB-CG2 4.22Å; V654-A936 HydrophobicContact CG1-CB 4.2Å; V654-A936 VanDerWaalsContact O-CB 3.23Å; V654-A936 WeakPolarHBondContact O-CB 3.44Å; V654-A936 PolarHBondContact O-N 3.13Å; V654-F937 HydrophobicContact CB-CB 4.22Å; V654-F937 HydrophobicContact CB-CD2 4.48Å; V654-F937 HydrophobicContact CG1-CD2 4.07Å; V654-F937 HydrophobicContact CG2-CB 4.19Å; V654-L946 HydrophobicContact CG2-CD2 4.22Å; V654-I949 HydrophobicContact CB-CD1 4.41Å; V654-I949 HydrophobicContact CG1-CD1 3.42Å; V654-I949 VanDerWaalsContact CG1-CD1 3.42Å; V654-I949 HydrophobicContact CG2-CD1 4.15Å |
| 655 | G | 95.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -169.1 | -175.9 | -158.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F624 N625 S653 W934 | F624-G655 CarbonylContact C-O 3.58Å; F624-G655 WeakPolarHBondContact CA-O 3.19Å; F624-G655 WeakPolarHBondContact CD2-O 3.33Å; N625-G655 PolarHBondContact N-O 3.4Å; N625-G655 PolarHBondContact O-N 3.31Å; S653-G655 VanDerWaalsContact C-N 3.34Å; S653-G655 PolarHBondContact O-N 2.75Å; G655-W934 CarbonylContact C-O 3.59Å; G655-W934 WeakPolarHBondContact CA-O 3.45Å |
| 656 | M | 94.5 | Very high | 89.7 | Confident | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 152.9 | -178.5 | 66.6 | -178.1 | 69.9 | 0 | 0 | 111.5 | L614 E615 V623 P652 I925 P933 W934 | L614-M656 HydrophobicContact CB-CE 3.81Å; L614-M656 HydrophobicContact CD1-CE 4.29Å; L614-M656 HydrophobicContact CD2-CE 4.27Å; L614-M656 HydrophobicContact CG-CE 4.37Å; E615-M656 HydrophobicContact CG-CE 3.84Å; E615-M656 HydrophobicContact CG-SD 3.15Å; E615-M656 WeakPolarHBondContact CG-SD 3.43Å; V623-M656 CarbonylContact O-C 3.43Å; V623-M656 WeakPolarHBondContact O-CA 3.25Å; P652-M656 WeakPolarHBondContact CG-O 3.48Å; M656-I925 HydrophobicContact CE-CD1 4.22Å; M656-I925 HydrophobicContact SD-CD1 4.49Å; M656-P933 WeakPolarHBondContact O-CA 3.29Å; M656-W934 HydrophobicContact CE-CE3 4.12Å; M656-W934 HydrophobicContact CE-CZ3 4.28Å; M656-W934 HydrophobicContact CG-CB 4.46Å; M656-W934 HydrophobicContact CG-CE3 4.3Å; M656-W934 PolarHBondContact N-O 3.09Å; M656-W934 PolarHBondContact O-N 3.03Å |
| 657 | A | 93.1 | Very high | 89.9 | Confident | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.025 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 142.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111 | G622 V623 P933 | G622-A657 CarbonylContact C-O 3.53Å; G622-A657 VanDerWaalsContact CA-O 3.27Å; G622-A657 WeakPolarHBondContact CA-O 3.35Å; V623-A657 PolarHBondContact N-O 2.82Å; V623-A657 PolarHBondContact O-N 3.3Å; A657-P933 HydrophobicContact CB-CB 4.1Å; A657-P933 HydrophobicContact CB-CG 4.26Å |
| 658 | P | 90.7 | Very high | 90.2 | Very high | 17 Ų | 17 | 43.1 Ų | 43.1 | 11% | 0.11 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.1 | 146.6 | 165.8 | 31.6 | -38.3 | 0 | 0 | 0 | 109.4 | K660 C927 S931 | P658-K660 PolarHBondContact O-N 3.1Å; P658-C927 HydrophobicContact CB-CB 4.44Å; P658-S931 WeakPolarHBondContact CG-O 3.25Å |
| 659 | V | 87.6 | Confident | 90.5 | Very high | 38 Ų | 38 | 45.4 Ų | 45.4 | 23% | 0.23 | 25% | 0.25 | C | C | . | . | trans | -68.3 | 109.2 | 175.2 | 170.9 | 0 | 0 | 0 | 0 | 108.4 | P621 V623 I637 V649 | P621-V659 HydrophobicContact CB-CB 4.25Å; P621-V659 HydrophobicContact CB-CG2 3.99Å; P621-V659 WeakPolarHBondContact O-CB 3.35Å; P621-V659 WeakPolarHBondContact O-CG2 3.37Å; P621-V659 PolarHBondContact O-N 3.09Å; V623-V659 HydrophobicContact CG1-CG2 4.3Å; I637-V659 HydrophobicContact CD1-CB 4.02Å; I637-V659 HydrophobicContact CD1-CG1 3.22Å; I637-V659 HydrophobicContact CD1-CG2 3.56Å; V649-V659 HydrophobicContact CG2-CG1 4.1Å; V649-V659 HydrophobicContact CG2-CG2 4.35Å | ||
| 660 | K | 81.6 | Confident | 90.7 | Very high | 140 Ų | 140 | 46.1 Ų | 46.1 | 61% | 0.609 | 25% | 0.254 | S | S | * | . | trans | -118.6 | 116 | 167.5 | -66.6 | -177.8 | -178.2 | 178.2 | 0 | 107.4 | P658 T662 | P658-K660 PolarHBondContact O-N 3.1Å; K660-T662 PolarHBondContact O-N 3.07Å; K660-T662 PolarHBondContact O-OG1 3.42Å | ||
| 661 | E | 73.1 | Confident | 90.9 | Very high | 110 Ų | 110 | 43.9 Ų | 43.9 | 51% | 0.514 | 25% | 0.253 | S | S | . | . | trans | -56.9 | 112 | -179.9 | -73.9 | -176.8 | -159.3 | 0 | 0 | 109.9 | K645 A647 | K645-E661 WeakPolarHBondContact CE-OE1 3.48Å; K645-E661 IonicContact NZ-OE1 2.62Å; K645-E661 PolarHBondContact NZ-OE1 2.91Å; K645-E661 IonicContact NZ-OE2 3.01Å; K645-E661 PolarHBondContact NZ-OE2 2.78Å; A647-E661 HydrophobicContact CB-CG 4.23Å | ||
| 662 | T | 77.6 | Confident | 91 | Very high | 47 Ų | 47 | 48 Ų | 48 | 29% | 0.288 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -90.2 | 125.7 | 173.5 | -56.3 | 0 | 0 | 0 | 0 | 107.5 | L648 K660 | L648-T662 WeakPolarHBondContact CB-O 3.31Å; L648-T662 HydrophobicContact CD2-CG2 4.34Å; L648-T662 PolarHBondContact O-N 2.66Å; L648-T662 VanDerWaalsContact O-N 3.08Å; K660-T662 PolarHBondContact O-N 3.07Å; K660-T662 PolarHBondContact O-OG1 3.42Å |
| 663 | Q | 83.9 | Confident | 91 | Very high | 154 Ų | 154 | 51.2 Ų | 51.2 | 72% | 0.72 | 29% | 0.293 | S | S | * | . | P | Polyproline II helix | trans | -72.5 | 130.5 | 172 | -69.2 | -64.9 | -24.1 | 0 | 0 | 108.9 | ||
| 664 | P | 86.9 | Confident | 90.8 | Very high | 16 Ų | 16 | 56.2 Ų | 56.2 | 10% | 0.104 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -66 | 143.2 | 177.9 | 28.1 | -34 | 0 | 0 | 0 | 110.3 | L648 T666 P667 V758 A782 | L648-P664 HydrophobicContact CD2-CB 3.97Å; P664-T666 PolarHBondContact O-N 2.76Å; P664-P667 HydrophobicContact CG-CB 4.35Å; P664-V758 HydrophobicContact CG-CG1 4.34Å; P664-A782 HydrophobicContact CB-CB 3.5Å; P664-A782 HydrophobicContact CG-CB 4.21Å |
| 665 | A | 85.6 | Confident | 90.5 | Very high | 93 Ų | 93 | 62.1 Ų | 62.1 | 77% | 0.769 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -59.8 | -37.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 666 | T | 92.2 | Very high | 90.3 | Very high | 63 Ų | 63 | 64 Ų | 64 | 39% | 0.387 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -133.6 | 117.8 | 171.2 | -52.8 | 0 | 0 | 0 | 0 | 107.9 | P664 | P664-T666 PolarHBondContact O-N 2.76Š|
| 667 | P | 94.2 | Very high | 90.4 | Very high | 76 Ų | 76 | 64.2 Ų | 64.2 | 49% | 0.494 | 39% | 0.389 | S | S | . | . | trans | -68.5 | 153.8 | 176.1 | 29.8 | -34.1 | 0 | 0 | 0 | 110.4 | P664 G757 | P664-P667 HydrophobicContact CG-CB 4.35Å; P667-G757 CarbonylContact C-O 3.58Å; P667-G757 VanDerWaalsContact CA-O 3.31Å; P667-G757 WeakPolarHBondContact CA-O 3.49Å; P667-G757 WeakPolarHBondContact CB-O 3.42Å | ||
| 668 | V | 97.2 | Very high | 90.6 | Very high | 6 Ų | 6 | 64.4 Ų | 64.4 | 4% | 0.036 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 131.4 | 173.5 | -172.2 | 0 | 0 | 0 | 0 | 109.3 | V670 E681 N682 G756 G757 M780 A782 | V668-V670 HydrophobicContact CG1-CG2 4.49Å; V668-E681 CarbonylContact C-O 3.47Å; V668-E681 VanDerWaalsContact CA-O 3.25Å; V668-E681 WeakPolarHBondContact CA-O 3.37Å; V668-N682 HydrophobicContact CG2-CB 3.98Å; V668-G756 CarbonylContact O-C 3.35Å; V668-G756 WeakPolarHBondContact O-CA 3.47Å; V668-G757 PolarHBondContact N-O 2.85Å; V668-G757 PolarHBondContact O-N 3.33Å; V668-M780 HydrophobicContact CG1-CB 4.17Å; V668-M780 HydrophobicContact CG1-CG 4.22Å; V668-M780 HydrophobicContact CG1-SD 4.19Å; V668-A782 HydrophobicContact CG2-CB 4.04Å; V668-A782 VanDerWaalsContact CG2-N 3.33Å |
| 669 | S | 96.9 | Very high | 91 | Very high | 50 Ų | 50 | 65.5 Ų | 65.5 | 35% | 0.35 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 138 | 171.3 | 67 | 0 | 0 | 0 | 0 | 111 | M680 E681 | S669-M680 WeakPolarHBondContact O-CA 3.26Å; S669-E681 PolarHBondContact N-O 2.79Å; S669-E681 PolarHBondContact O-N 2.91Å |
| 670 | V | 97.8 | Very high | 91.5 | Very high | 16 Ų | 16 | 63.7 Ų | 63.7 | 10% | 0.097 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 112.2 | 175.2 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | V668 V678 L679 M680 V752 P755 V762 | V668-V670 HydrophobicContact CG1-CG2 4.49Å; V670-V678 HydrophobicContact CG1-CG1 3.48Å; V670-V678 VanDerWaalsContact CG1-CG1 3.48Å; V670-L679 WeakPolarHBondContact CA-O 3.24Å; V670-M680 HydrophobicContact CG1-CG 4.13Å; V670-M680 HydrophobicContact CG2-CE 4.09Å; V670-M680 HydrophobicContact CG2-CG 4.2Å; V670-V752 HydrophobicContact CB-CG1 4.47Å; V670-V752 HydrophobicContact CG1-CB 4.46Å; V670-V752 HydrophobicContact CG1-CG1 3.91Å; V670-V752 HydrophobicContact CG1-CG2 3.78Å; V670-P755 PolarHBondContact N-O 3.17Å; V670-V762 HydrophobicContact CG1-CG1 4.09Å |
| 671 | T | 97.3 | Very high | 92.2 | Very high | 65 Ų | 65 | 59.8 Ų | 59.8 | 40% | 0.399 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 108.7 | -172.2 | -53.5 | 0 | 0 | 0 | 0 | 111.2 | Q673 L679 | T671-Q673 PolarHBondContact O-NE2 2.82Å; T671-L679 PolarHBondContact N-O 3.28Å; T671-L679 PolarHBondContact O-N 3.2Å |
| 672 | P | 95.9 | Very high | 93.4 | Very high | 87 Ų | 87 | 54.7 Ų | 54.7 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 140.1 | 170.7 | -20.6 | 32.4 | 0 | 0 | 0 | 111.8 | V752 | P672-V752 HydrophobicContact CG-CG2 4.01Å |
| 673 | Q | 96 | Very high | 94.2 | Very high | 81 Ų | 81 | 54 Ų | 54 | 38% | 0.379 | 35% | 0.345 | S | S | . | . | trans | -103.9 | 161 | 178 | -57.6 | -61.7 | -52.3 | 0 | 0 | 111.2 | T671 D675 G676 S677 | T671-Q673 PolarHBondContact O-NE2 2.82Å; Q673-D675 WeakPolarHBondContact CB-OD1 3.3Å; Q673-D675 PolarHBondContact O-N 3.2Å; Q673-G676 PolarHBondContact O-N 3.07Å; Q673-G676 VanDerWaalsContact O-N 3.15Å; Q673-S677 WeakPolarHBondContact CB-O 3.14Å; Q673-S677 WeakPolarHBondContact CB-OG 3.27Å; Q673-S677 WeakPolarHBondContact CG-OG 3.29Å; Q673-S677 PolarHBondContact N-O 2.92Å | ||
| 674 | A | 91.4 | Very high | 94.9 | Very high | 117 Ų | 117 | 49.3 Ų | 49.3 | 97% | 0.967 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -24.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | G676 | A674-G676 VanDerWaalsContact C-N 3.29Š|
| 675 | D | 91.5 | Very high | 95.4 | Very high | 123 Ų | 123 | 48.5 Ų | 48.5 | 66% | 0.658 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 2.5 | 178.2 | 69.2 | -10.8 | 0 | 0 | 0 | 113.5 | Q673 S677 | Q673-D675 WeakPolarHBondContact CB-OD1 3.3Å; Q673-D675 PolarHBondContact O-N 3.2Å; D675-S677 VanDerWaalsContact C-N 3.35Å; D675-S677 VanDerWaalsContact OD1-CB 3.29Å; D675-S677 WeakPolarHBondContact OD1-CB 3.43Å; D675-S677 PolarHBondContact OD1-N 3.39Å; D675-S677 PolarHBondContact OD1-OG 2.57Å |
| 676 | G | 90.8 | Very high | 96 | Very high | 40 Ų | 40 | 47.2 Ų | 47.2 | 41% | 0.412 | 30% | 0.297 | S | S | . | . | S | Bend | trans | 83.9 | 4.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q673 A674 | Q673-G676 PolarHBondContact O-N 3.07Å; Q673-G676 VanDerWaalsContact O-N 3.15Å; A674-G676 VanDerWaalsContact C-N 3.29Å |
| 677 | S | 96.4 | Very high | 96.3 | Very high | 7 Ų | 7 | 44.2 Ų | 44.2 | 5% | 0.049 | 28% | 0.279 | C | S | . | . | trans | -78 | 165.1 | 166.3 | 68.4 | 0 | 0 | 0 | 0 | 111.5 | Q673 D675 I689 | Q673-S677 WeakPolarHBondContact CB-O 3.14Å; Q673-S677 WeakPolarHBondContact CB-OG 3.27Å; Q673-S677 WeakPolarHBondContact CG-OG 3.29Å; Q673-S677 PolarHBondContact N-O 2.92Å; D675-S677 VanDerWaalsContact C-N 3.35Å; D675-S677 VanDerWaalsContact OD1-CB 3.29Å; D675-S677 WeakPolarHBondContact OD1-CB 3.43Å; D675-S677 PolarHBondContact OD1-N 3.39Å; D675-S677 PolarHBondContact OD1-OG 2.57Å; S677-I689 CarbonylContact C-O 3.49Å; S677-I689 WeakPolarHBondContact CA-O 3.18Å; S677-I689 VanDerWaalsContact CB-O 3.25Å; S677-I689 WeakPolarHBondContact CB-O 3.35Å | ||
| 678 | V | 98.3 | Very high | 96.5 | Very high | 6 Ų | 6 | 42.4 Ų | 42.4 | 4% | 0.036 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 129.4 | 175.8 | -177.9 | 0 | 0 | 0 | 0 | 109.5 | V670 M680 I689 V750 V752 V762 | V670-V678 HydrophobicContact CG1-CG1 3.48Å; V670-V678 VanDerWaalsContact CG1-CG1 3.48Å; V678-M680 HydrophobicContact CG1-CG 4.27Å; V678-I689 PolarHBondContact N-O 3.49Å; V678-I689 PolarHBondContact O-N 2.87Å; V678-V750 HydrophobicContact CB-CG1 4.32Å; V678-V750 HydrophobicContact CG2-CG1 3.66Å; V678-V752 HydrophobicContact CG1-CG2 4.38Å; V678-V752 HydrophobicContact CG2-CG2 4.47Å; V678-V762 HydrophobicContact CB-CG1 4.26Å; V678-V762 HydrophobicContact CG1-CG1 3.85Å; V678-V762 HydrophobicContact CG2-CG1 4.4Å |
| 679 | L | 98.2 | Very high | 96.6 | Very high | 40 Ų | 40 | 42.1 Ų | 42.1 | 21% | 0.209 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 125.1 | 172.6 | 179 | 67 | 0 | 0 | 0 | 109.4 | V670 T671 Q686 V687 V688 | V670-L679 WeakPolarHBondContact CA-O 3.24Å; T671-L679 PolarHBondContact N-O 3.28Å; T671-L679 PolarHBondContact O-N 3.2Å; L679-Q686 HydrophobicContact CD1-CG 3.53Å; L679-V687 WeakPolarHBondContact CA-O 3.38Å; L679-V688 HydrophobicContact CD1-CG2 3.9Å |
| 680 | M | 98.4 | Very high | 96.6 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 136.9 | 173.3 | -63 | -179.8 | 69.5 | 0 | 0 | 110.3 | S669 V670 V678 Q686 V687 I689 G760 V762 M780 | S669-M680 WeakPolarHBondContact O-CA 3.26Å; V670-M680 HydrophobicContact CG1-CG 4.13Å; V670-M680 HydrophobicContact CG2-CE 4.09Å; V670-M680 HydrophobicContact CG2-CG 4.2Å; V678-M680 HydrophobicContact CG1-CG 4.27Å; M680-Q686 CarbonylContact O-C 3.48Å; M680-Q686 WeakPolarHBondContact O-CA 3.44Å; M680-V687 PolarHBondContact N-O 3.27Å; M680-V687 PolarHBondContact O-N 3.2Å; M680-I689 HydrophobicContact CG-CD1 4.28Å; M680-I689 HydrophobicContact SD-CD1 3.4Å; M680-I689 WeakPolarHBondContact SD-CD1 3.49Å; M680-G760 VanDerWaalsContact CE-C 3.43Å; M680-G760 VanDerWaalsContact CE-O 3.23Å; M680-G760 WeakPolarHBondContact CE-O 3.19Å; M680-V762 HydrophobicContact SD-CG1 3.99Å; M680-V762 HydrophobicContact SD-CG2 4.28Å; M680-M780 HydrophobicContact CB-CE 3.8Å; M680-M780 HydrophobicContact CB-SD 4.09Å; M680-M780 HydrophobicContact CE-CB 3.6Å |
| 681 | E | 97.6 | Very high | 96.6 | Very high | 58 Ų | 58 | 49.2 Ų | 49.2 | 27% | 0.271 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.6 | 140.2 | 179.6 | 178.6 | 171.1 | 138.4 | 0 | 0 | 111.2 | V668 S669 L685 Q686 I701 | V668-E681 CarbonylContact C-O 3.47Å; V668-E681 VanDerWaalsContact CA-O 3.25Å; V668-E681 WeakPolarHBondContact CA-O 3.37Å; S669-E681 PolarHBondContact N-O 2.79Å; S669-E681 PolarHBondContact O-N 2.91Å; E681-L685 WeakPolarHBondContact CA-O 3.49Å; E681-Q686 PolarHBondContact OE2-NE2 3.41Å; E681-I701 HydrophobicContact CG-CD1 3.74Å |
| 682 | N | 96.6 | Very high | 96.5 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 27% | 0.273 | C | S | . | . | trans | -128.8 | 16.5 | 176.1 | 71.8 | -5.6 | 0 | 0 | 0 | 114 | V668 I684 L685 M780 D781 C784 | V668-N682 HydrophobicContact CG2-CB 3.98Å; N682-I684 PolarHBondContact O-N 3.19Å; N682-I684 WeakPolarHBondContact OD1-CB 3.37Å; N682-I684 PolarHBondContact OD1-N 3.36Å; N682-L685 PolarHBondContact N-O 2.96Å; N682-L685 PolarHBondContact OD1-N 3.23Å; N682-L685 PolarHBondContact OD1-O 3.31Å; N682-M780 HydrophobicContact CB-CG 3.8Å; N682-M780 HydrophobicContact CB-SD 3.61Å; N682-M780 PolarHBondContact N-SD 3.25Å; N682-D781 PolarHBondContact ND2-O 3.19Å; N682-C784 PolarHBondContact ND2-O 3.29Å | ||
| 683 | G | 96.1 | Very high | 96.5 | Very high | 32 Ų | 32 | 43.2 Ų | 43.2 | 33% | 0.33 | 25% | 0.246 | S | C | . | . | S | Bend | trans | 80.1 | -11.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||
| 684 | I | 97.4 | Very high | 96.7 | Very high | 55 Ų | 55 | 39.5 Ų | 39.5 | 28% | 0.282 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -107.3 | -50 | 172.3 | -55.8 | 172.4 | 0 | 0 | 0 | 109.6 | N682 L700 I701 P785 | N682-I684 PolarHBondContact O-N 3.19Å; N682-I684 WeakPolarHBondContact OD1-CB 3.37Å; N682-I684 PolarHBondContact OD1-N 3.36Å; I684-L700 HydrophobicContact CG2-CD1 4.06Å; I684-I701 WeakPolarHBondContact O-CB 3.38Å; I684-I701 WeakPolarHBondContact O-CG1 3.4Å; I684-I701 PolarHBondContact O-N 2.81Å; I684-P785 HydrophobicContact CG2-CB 4.44Å |
| 685 | L | 98.4 | Very high | 97 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 146 | -177.2 | -57 | -177.6 | 0 | 0 | 0 | 110.7 | E681 N682 L698 C699 L700 M780 P785 V787 P901 | E681-L685 WeakPolarHBondContact CA-O 3.49Å; N682-L685 PolarHBondContact N-O 2.96Å; N682-L685 PolarHBondContact OD1-N 3.23Å; N682-L685 PolarHBondContact OD1-O 3.31Å; L685-L698 HydrophobicContact CD1-CD1 4.3Å; L685-C699 WeakPolarHBondContact CA-O 3.36Å; L685-L700 HydrophobicContact CD2-CD1 3.82Å; L685-M780 HydrophobicContact CB-CE 4.27Å; L685-P785 WeakPolarHBondContact CD1-O 3.34Å; L685-V787 HydrophobicContact CD1-CG2 3.92Å; L685-P901 HydrophobicContact CD2-CG 3.47Å; L685-P901 VanDerWaalsContact CD2-CG 3.47Å |
| 686 | Q | 98.4 | Very high | 97.2 | Very high | 65 Ų | 65 | 29.1 Ų | 29.1 | 30% | 0.304 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 128.7 | 165.7 | -175.1 | 179 | 92.5 | 0 | 0 | 108.8 | L679 M680 E681 C699 I701 | L679-Q686 HydrophobicContact CD1-CG 3.53Å; M680-Q686 CarbonylContact O-C 3.48Å; M680-Q686 WeakPolarHBondContact O-CA 3.44Å; E681-Q686 PolarHBondContact OE2-NE2 3.41Å; Q686-C699 HydrophobicContact CB-CB 4.39Å; Q686-C699 PolarHBondContact N-O 2.92Å; Q686-C699 PolarHBondContact O-N 3.47Å; Q686-I701 HydrophobicContact CB-CD1 4.09Å; Q686-I701 HydrophobicContact CB-CG1 3.99Å |
| 687 | V | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 131.5 | -172.8 | -175 | 0 | 0 | 0 | 0 | 109.9 | L679 M680 I689 L695 S697 L698 M780 V787 | L679-V687 WeakPolarHBondContact CA-O 3.38Å; M680-V687 PolarHBondContact N-O 3.27Å; M680-V687 PolarHBondContact O-N 3.2Å; V687-I689 HydrophobicContact CG1-CD1 4.49Å; V687-I689 HydrophobicContact CG1-CG1 3.84Å; V687-L695 HydrophobicContact CG1-CD2 3.78Å; V687-S697 WeakPolarHBondContact CA-O 3.45Å; V687-L698 HydrophobicContact CG2-CD1 3.6Å; V687-M780 HydrophobicContact CB-CE 3.99Å; V687-M780 HydrophobicContact CG2-CE 3.42Å; V687-M780 VanDerWaalsContact CG2-CE 3.42Å; V687-V787 HydrophobicContact CG2-CG2 3.66Å |
| 688 | V | 98.3 | Very high | 97.6 | Very high | 39 Ų | 39 | 28 Ų | 28 | 24% | 0.236 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 114.8 | 171.2 | -178.8 | 0 | 0 | 0 | 0 | 108.7 | L679 G696 S697 | L679-V688 HydrophobicContact CD1-CG2 3.9Å; V688-G696 PolarHBondContact O-N 3.16Å; V688-S697 PolarHBondContact N-O 3.4Å; V688-S697 PolarHBondContact O-N 3Å |
| 689 | I | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 122.5 | -179.6 | -52.5 | 173.6 | 0 | 0 | 0 | 108.2 | S677 V678 M680 V687 L695 V750 V762 I778 | S677-I689 CarbonylContact C-O 3.49Å; S677-I689 WeakPolarHBondContact CA-O 3.18Å; S677-I689 VanDerWaalsContact CB-O 3.25Å; S677-I689 WeakPolarHBondContact CB-O 3.35Å; V678-I689 PolarHBondContact N-O 3.49Å; V678-I689 PolarHBondContact O-N 2.87Å; M680-I689 HydrophobicContact CG-CD1 4.28Å; M680-I689 HydrophobicContact SD-CD1 3.4Å; M680-I689 WeakPolarHBondContact SD-CD1 3.49Å; V687-I689 HydrophobicContact CG1-CD1 4.49Å; V687-I689 HydrophobicContact CG1-CG1 3.84Å; I689-L695 HydrophobicContact CG1-CD2 4.09Å; I689-V750 HydrophobicContact CG2-CG1 4.41Å; I689-V750 HydrophobicContact CG2-CG2 3.92Å; I689-V762 HydrophobicContact CD1-CG2 3.44Å; I689-V762 VanDerWaalsContact CD1-CG2 3.44Å; I689-V762 HydrophobicContact CG2-CG2 4.34Å; I689-I778 HydrophobicContact CD1-CB 4.06Å; I689-I778 HydrophobicContact CD1-CD1 4Å; I689-I778 HydrophobicContact CD1-CG2 3.77Å; I689-I778 HydrophobicContact CG1-CD1 4.45Å; I689-I778 HydrophobicContact CG2-CD1 3.81Å |
| 690 | R | 97.8 | Very high | 97.6 | Very high | 84 Ų | 84 | 26.8 Ų | 26.8 | 32% | 0.317 | 14% | 0.143 | S | C | . | . | trans | -77.2 | 166.2 | 178.3 | -63.9 | -166 | -177.1 | 99.7 | -3.1 | 111.1 | D692 G693 T694 G696 S713 V750 | R690-D692 WeakPolarHBondContact CB-OD1 3.4Å; R690-D692 PolarHBondContact O-N 3.4Å; R690-G693 PolarHBondContact O-N 3.27Å; R690-T694 PolarHBondContact N-O 3.46Å; R690-G696 VanDerWaalsContact NH2-CA 3.33Å; R690-S713 PolarHBondContact NH1-OG 3.04Å; R690-V750 WeakPolarHBondContact O-CG2 3.5Å | ||
| 691 | K | 96.4 | Very high | 97.6 | Very high | 130 Ų | 130 | 29.5 Ų | 29.5 | 57% | 0.565 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -24.2 | -179.3 | 67.6 | 179.9 | -178.4 | 178.9 | 0 | 115.1 | P749 V750 | K691-P749 HydrophobicContact CB-CB 4.47Å; K691-P749 VanDerWaalsContact O-CA 3.24Å; K691-P749 WeakPolarHBondContact O-CA 3.27Å; K691-V750 PolarHBondContact O-N 2.84Å |
| 692 | D | 95.9 | Very high | 97.5 | Very high | 26 Ų | 26 | 31.2 Ų | 31.2 | 14% | 0.139 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 5.2 | 179.7 | 59.1 | 9.2 | 0 | 0 | 0 | 113.3 | R690 T694 V746 F764 | R690-D692 WeakPolarHBondContact CB-OD1 3.4Å; R690-D692 PolarHBondContact O-N 3.4Å; D692-T694 VanDerWaalsContact C-N 3.26Å; D692-T694 PolarHBondContact O-N 3.22Å; D692-T694 WeakPolarHBondContact OD1-CB 3.3Å; D692-T694 WeakPolarHBondContact OD1-CG2 3.42Å; D692-T694 PolarHBondContact OD1-N 2.77Å; D692-T694 PolarHBondContact OD1-OG1 3.33Å; D692-V746 HydrophobicContact CB-CG2 3.59Å; D692-F764 WeakPolarHBondContact O-CD2 3.24Å; D692-F764 VanDerWaalsContact O-CE2 3.31Å; D692-F764 WeakPolarHBondContact O-CE2 3.43Å |
| 693 | G | 97 | Very high | 97.4 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.193 | C | C | . | . | S | Bend | trans | 81.7 | -1.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R690 N715 I778 | R690-G693 PolarHBondContact O-N 3.27Å; G693-N715 PolarHBondContact O-ND2 3.42Å; G693-I778 WeakPolarHBondContact O-CD1 3.23Å |
| 694 | T | 98.3 | Very high | 97.4 | Very high | 4 Ų | 4 | 38.4 Ų | 38.4 | 3% | 0.025 | 21% | 0.213 | C | C | . | . | trans | -73.1 | 148.5 | 173.8 | 66.9 | 0 | 0 | 0 | 0 | 111.3 | R690 D692 G696 G714 | R690-T694 PolarHBondContact N-O 3.46Å; D692-T694 VanDerWaalsContact C-N 3.26Å; D692-T694 PolarHBondContact O-N 3.22Å; D692-T694 WeakPolarHBondContact OD1-CB 3.3Å; D692-T694 WeakPolarHBondContact OD1-CG2 3.42Å; D692-T694 PolarHBondContact OD1-N 2.77Å; D692-T694 PolarHBondContact OD1-OG1 3.33Å; T694-G696 PolarHBondContact O-N 2.99Å; T694-G714 WeakPolarHBondContact CA-O 3.25Å | ||
| 695 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 116 | 175 | -54.3 | -172.2 | 0 | 0 | 0 | 109.5 | V687 I689 S713 G714 N715 I778 F789 F806 I899 | V687-L695 HydrophobicContact CG1-CD2 3.78Å; I689-L695 HydrophobicContact CG1-CD2 4.09Å; L695-S713 WeakPolarHBondContact O-CA 3.1Å; L695-G714 PolarHBondContact N-O 2.77Å; L695-G714 PolarHBondContact O-N 2.59Å; L695-N715 HydrophobicContact CG-CB 3.9Å; L695-I778 HydrophobicContact CD2-CD1 4.48Å; L695-F789 HydrophobicContact CD1-CZ 4.06Å; L695-F789 HydrophobicContact CD2-CE1 4.34Å; L695-F789 HydrophobicContact CD2-CZ 4.5Å; L695-F806 HydrophobicContact CD1-CE1 4.18Å; L695-I899 HydrophobicContact CD1-CG2 4.3Å |
| 696 | G | 96.5 | Very high | 97.3 | Very high | 22 Ų | 22 | 41.3 Ų | 41.3 | 23% | 0.227 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -23.7 | 172 | 0 | 0 | 0 | 0 | 0 | 114.4 | V688 R690 T694 | V688-G696 PolarHBondContact O-N 3.16Å; R690-G696 VanDerWaalsContact NH2-CA 3.33Å; T694-G696 PolarHBondContact O-N 2.99Å |
| 697 | S | 97.9 | Very high | 97.3 | Very high | 22 Ų | 22 | 38.2 Ų | 38.2 | 15% | 0.154 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 143.3 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 109.1 | V687 V688 E706 | V687-S697 WeakPolarHBondContact CA-O 3.45Å; V688-S697 PolarHBondContact N-O 3.4Å; V688-S697 PolarHBondContact O-N 3Å; S697-E706 VanDerWaalsContact CB-OE2 3.28Å; S697-E706 WeakPolarHBondContact CB-OE2 3.08Å; S697-E706 PolarHBondContact OG-OE2 3.35Å |
| 698 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 94.8 | 170.1 | 170.6 | 62.6 | 0 | 0 | 0 | 107.1 | L685 V687 E706 A707 I708 V787 I899 P901 | L685-L698 HydrophobicContact CD1-CD1 4.3Å; V687-L698 HydrophobicContact CG2-CD1 3.6Å; L698-E706 PolarHBondContact N-OE1 2.88Å; L698-E706 VanDerWaalsContact O-OE1 3.05Å; L698-A707 HydrophobicContact CB-CB 4.19Å; L698-A707 HydrophobicContact CD2-CB 4.03Å; L698-A707 HydrophobicContact CG-CB 3.97Å; L698-A707 WeakPolarHBondContact O-CB 3.29Å; L698-A707 PolarHBondContact O-N 3.28Å; L698-I708 HydrophobicContact CB-CD1 4.32Å; L698-I708 HydrophobicContact CB-CG1 3.93Å; L698-V787 HydrophobicContact CD1-CG2 4.07Å; L698-I899 HydrophobicContact CD2-CB 4.44Å; L698-I899 HydrophobicContact CD2-CG1 3.98Å; L698-I899 HydrophobicContact CD2-CG2 3.6Å; L698-P901 HydrophobicContact CD1-CG 4.13Å; L698-P901 HydrophobicContact CD2-CG 4.21Å; L698-P901 HydrophobicContact CG-CG 4.02Å |
| 699 | C | 98.2 | Very high | 97.2 | Very high | 11 Ų | 11 | 37.3 Ų | 37.3 | 7% | 0.074 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 130.9 | -176.3 | -172.8 | 0 | 0 | 0 | 0 | 111.1 | L685 Q686 I701 R705 | L685-C699 WeakPolarHBondContact CA-O 3.36Å; Q686-C699 HydrophobicContact CB-CB 4.39Å; Q686-C699 PolarHBondContact N-O 2.92Å; Q686-C699 PolarHBondContact O-N 3.47Å; C699-I701 PolarHBondContact O-N 3.22Å; C699-R705 WeakPolarHBondContact CA-O 3.36Å |
| 700 | L | 98 | Very high | 97.1 | Very high | 10 Ų | 10 | 43.3 Ų | 43.3 | 5% | 0.052 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 110 | 165.8 | -175.2 | 63.7 | 0 | 0 | 0 | 108.9 | I684 L685 S702 A703 N704 R705 F854 L903 | I684-L700 HydrophobicContact CG2-CD1 4.06Å; L685-L700 HydrophobicContact CD2-CD1 3.82Å; L700-S702 PolarHBondContact O-N 3.27Å; L700-A703 PolarHBondContact O-N 3.04Å; L700-N704 WeakPolarHBondContact O-CA 3.41Å; L700-N704 PolarHBondContact O-N 3.3Å; L700-R705 PolarHBondContact N-O 3.36Å; L700-R705 PolarHBondContact O-N 3.43Å; L700-F854 HydrophobicContact CD2-CE2 4.39Å; L700-L903 HydrophobicContact CD2-CD1 4.22Å; L700-L903 HydrophobicContact CD2-CD2 4.02Å; L700-L903 HydrophobicContact CD2-CG 3.61Å |
| 701 | I | 97.6 | Very high | 96.8 | Very high | 59 Ų | 59 | 43.7 Ų | 43.7 | 30% | 0.303 | 27% | 0.265 | S | S | . | . | G | 310 helix | trans | -63 | -43 | -165.7 | -66 | 173.5 | 0 | 0 | 0 | 111.8 | E681 I684 Q686 C699 A703 N704 | E681-I701 HydrophobicContact CG-CD1 3.74Å; I684-I701 WeakPolarHBondContact O-CB 3.38Å; I684-I701 WeakPolarHBondContact O-CG1 3.4Å; I684-I701 PolarHBondContact O-N 2.81Å; Q686-I701 HydrophobicContact CB-CD1 4.09Å; Q686-I701 HydrophobicContact CB-CG1 3.99Å; C699-I701 PolarHBondContact O-N 3.22Å; I701-A703 PolarHBondContact O-N 3.08Å; I701-N704 PolarHBondContact O-N 3.28Å; I701-N704 VanDerWaalsContact O-N 3.08Å |
| 702 | S | 95.3 | Very high | 96.8 | Very high | 94 Ų | 94 | 39.4 Ų | 39.4 | 66% | 0.657 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -59 | -32.6 | -175.7 | 57.9 | 0 | 0 | 0 | 0 | 113.7 | L700 | L700-S702 PolarHBondContact O-N 3.27Š|
| 703 | A | 94.2 | Very high | 96.8 | Very high | 48 Ų | 48 | 39.7 Ų | 39.7 | 40% | 0.397 | 26% | 0.255 | S | S | . | . | G | 310 helix | trans | -104.9 | -3.4 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L700 I701 R705 L903 | L700-A703 PolarHBondContact O-N 3.04Å; I701-A703 PolarHBondContact O-N 3.08Å; A703-R705 HydrophobicContact CB-CB 3.97Å; A703-R705 PolarHBondContact O-N 3.19Å; A703-L903 HydrophobicContact CB-CD1 4.05Å; A703-L903 HydrophobicContact CB-CD2 3.79Å; A703-L903 HydrophobicContact CB-CG 4.44Å |
| 704 | N | 96.1 | Very high | 96.8 | Very high | 138 Ų | 138 | 39.7 Ų | 39.7 | 74% | 0.738 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.4 | 45.3 | -167.6 | -170.2 | 36.1 | 0 | 0 | 0 | 111.6 | L700 I701 | L700-N704 WeakPolarHBondContact O-CA 3.41Å; L700-N704 PolarHBondContact O-N 3.3Å; I701-N704 PolarHBondContact O-N 3.28Å; I701-N704 VanDerWaalsContact O-N 3.08Å |
| 705 | R | 96.9 | Very high | 96.8 | Very high | 73 Ų | 73 | 39.5 Ų | 39.5 | 28% | 0.275 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 116.9 | -172.8 | -178.6 | 59.5 | 173.1 | -163.6 | -5.9 | 110.5 | C699 L700 A703 E851 F854 | C699-R705 WeakPolarHBondContact CA-O 3.36Å; L700-R705 PolarHBondContact N-O 3.36Å; L700-R705 PolarHBondContact O-N 3.43Å; A703-R705 HydrophobicContact CB-CB 3.97Å; A703-R705 PolarHBondContact O-N 3.19Å; R705-E851 IonicContact NH2-OE1 2.87Å; R705-E851 PolarHBondContact NH2-OE1 3.48Å; R705-F854 HydrophobicContact CB-CD2 4.37Å; R705-F854 HydrophobicContact CB-CE2 4.1Å; R705-F854 HydrophobicContact CG-CD1 4.09Å; R705-F854 HydrophobicContact CG-CD2 3.59Å; R705-F854 HydrophobicContact CG-CE1 3.98Å; R705-F854 HydrophobicContact CG-CE2 3.46Å; R705-F854 VanDerWaalsContact CG-CE2 3.46Å; R705-F854 HydrophobicContact CG-CG 3.91Å; R705-F854 HydrophobicContact CG-CZ 3.67Å |
| 706 | E | 97.9 | Very high | 96.9 | Very high | 42 Ų | 42 | 40.5 Ų | 40.5 | 20% | 0.196 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 130.6 | 172.3 | -180 | 58.8 | -106 | 0 | 0 | 111.1 | S697 L698 I708 | S697-E706 VanDerWaalsContact CB-OE2 3.28Å; S697-E706 WeakPolarHBondContact CB-OE2 3.08Å; S697-E706 PolarHBondContact OG-OE2 3.35Å; L698-E706 PolarHBondContact N-OE1 2.88Å; L698-E706 VanDerWaalsContact O-OE1 3.05Å; E706-I708 WeakPolarHBondContact CG-O 3.49Å; E706-I708 PolarHBondContact OE1-N 3Å |
| 707 | A | 98 | Very high | 97 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | trans | -93.9 | -29 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | L698 V808 R809 F854 V856 P901 | L698-A707 HydrophobicContact CB-CB 4.19Å; L698-A707 HydrophobicContact CD2-CB 4.03Å; L698-A707 HydrophobicContact CG-CB 3.97Å; L698-A707 WeakPolarHBondContact O-CB 3.29Å; L698-A707 PolarHBondContact O-N 3.28Å; A707-V808 CarbonylContact O-C 3.57Å; A707-V808 WeakPolarHBondContact O-CA 3.2Å; A707-V808 WeakPolarHBondContact O-CB 3.42Å; A707-R809 PolarHBondContact O-N 3.42Å; A707-F854 HydrophobicContact CB-CE1 4.47Å; A707-F854 HydrophobicContact CB-CZ 3.92Å; A707-V856 HydrophobicContact CB-CG2 3.98Å; A707-P901 HydrophobicContact CB-CB 3.86Å | ||
| 708 | I | 98.3 | Very high | 97 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.015 | 24% | 0.241 | C | C | . | . | B | Isolated β-bridge | trans | -84.5 | 142.6 | 179.2 | -55.6 | -54.7 | 0 | 0 | 0 | 110.5 | L698 E706 | L698-I708 HydrophobicContact CB-CD1 4.32Å; L698-I708 HydrophobicContact CB-CG1 3.93Å; E706-I708 WeakPolarHBondContact CG-O 3.49Å; E706-I708 PolarHBondContact OE1-N 3Å |
| 709 | S | 97.3 | Very high | 97 | Very high | 18 Ų | 18 | 39.4 Ų | 39.4 | 13% | 0.126 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -65.9 | 145.4 | 176.7 | -69.2 | 0 | 0 | 0 | 0 | 112.6 | G711 S712 P807 V808 N871 | S709-G711 PolarHBondContact O-N 2.83Å; S709-S712 WeakPolarHBondContact O-CB 3.31Å; S709-S712 PolarHBondContact O-N 3.37Å; S709-P807 PolarHBondContact N-O 3.49Å; S709-P807 PolarHBondContact OG-O 3.42Å; S709-V808 PolarHBondContact OG-O 3.02Å; S709-N871 PolarHBondContact OG-ND2 3.49Å |
| 710 | D | 94.3 | Very high | 97 | Very high | 126 Ų | 126 | 39.2 Ų | 39.2 | 67% | 0.674 | 24% | 0.244 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 132.4 | 178 | -61.8 | -31.3 | 0 | 0 | 0 | 111.3 | S712 | D710-S712 PolarHBondContact O-N 3.46Å; D710-S712 VanDerWaalsContact O-N 3.12Å |
| 711 | G | 92.4 | Very high | 97 | Very high | 92 Ų | 92 | 41 Ų | 41 | 95% | 0.948 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.2 | 4.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S709 | S709-G711 PolarHBondContact O-N 2.83Š|
| 712 | S | 95.9 | Very high | 97 | Very high | 39 Ų | 39 | 38.2 Ų | 38.2 | 27% | 0.273 | 24% | 0.239 | S | C | . | . | trans | -102.4 | 174.6 | 177 | -56.2 | 0 | 0 | 0 | 0 | 111.4 | S709 D710 | S709-S712 WeakPolarHBondContact O-CB 3.31Å; S709-S712 PolarHBondContact O-N 3.37Å; D710-S712 PolarHBondContact O-N 3.46Å; D710-S712 VanDerWaalsContact O-N 3.12Å | ||
| 713 | S | 96 | Very high | 97 | Very high | 32 Ų | 32 | 37.9 Ų | 37.9 | 22% | 0.224 | 23% | 0.233 | C | C | . | . | trans | -131.9 | 131 | 174.1 | -49.2 | 0 | 0 | 0 | 0 | 109.4 | R690 L695 P807 | R690-S713 PolarHBondContact NH1-OG 3.04Å; L695-S713 WeakPolarHBondContact O-CA 3.1Å; S713-P807 VanDerWaalsContact O-CD 3.25Å; S713-P807 WeakPolarHBondContact O-CD 3.17Å | ||
| 714 | G | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | B | Isolated β-bridge | trans | -79.9 | 169 | 168.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | T694 L695 Q716 | T694-G714 WeakPolarHBondContact CA-O 3.25Å; L695-G714 PolarHBondContact N-O 2.77Å; L695-G714 PolarHBondContact O-N 2.59Å; G714-Q716 PolarHBondContact O-N 3.05Å |
| 715 | N | 98.6 | Very high | 96.8 | Very high | 1 Ų | 1 | 34.6 Ų | 34.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | S | Bend | trans | 55.7 | 37.5 | -179.1 | -166.7 | 47.3 | 0 | 0 | 0 | 112.7 | G693 L695 Q776 F789 E805 F806 Y897 | G693-N715 PolarHBondContact O-ND2 3.42Å; L695-N715 HydrophobicContact CG-CB 3.9Å; N715-Q776 PolarHBondContact ND2-OE1 3.26Å; N715-Q776 PolarHBondContact OD1-OE1 2.94Å; N715-F789 HydrophobicContact CB-CE1 4.01Å; N715-F789 HydrophobicContact CB-CZ 4.44Å; N715-E805 PolarHBondContact N-O 3.33Å; N715-E805 VanDerWaalsContact N-O 3.08Å; N715-F806 HydrophobicContact CB-CE1 3.85Å; N715-F806 HydrophobicContact CB-CZ 3.96Å; N715-Y897 PolarHBondContact OD1-OH 3.2Å |
| 716 | Q | 98.5 | Very high | 96.4 | Very high | 20 Ų | 20 | 37.7 Ų | 37.7 | 9% | 0.093 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 113.9 | 178.7 | 177.4 | 64.8 | 70.3 | 0 | 0 | 109.5 | G714 V718 I743 V804 E805 | G714-Q716 PolarHBondContact O-N 3.05Å; Q716-V718 HydrophobicContact CG-CG1 4.1Å; Q716-I743 PolarHBondContact NE2-O 2.83Å; Q716-V804 WeakPolarHBondContact O-CA 3.33Å; Q716-E805 PolarHBondContact N-O 3.45Å; Q716-E805 VanDerWaalsContact N-O 3.11Å; Q716-E805 PolarHBondContact O-N 3.34Å |
| 717 | F | 98.8 | Very high | 96.3 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.009 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 136.2 | 170.1 | -68.1 | -77.4 | 0 | 0 | 0 | 111 | I743 F764 L766 V774 Q776 T791 L802 V804 L877 Y897 | F717-I743 HydrophobicContact CB-CB 4.18Å; F717-I743 HydrophobicContact CB-CD1 3.95Å; F717-I743 HydrophobicContact CB-CG1 4.21Å; F717-I743 PolarHBondContact O-N 2.96Å; F717-F764 HydrophobicContact CE2-CE2 4.42Å; F717-F764 HydrophobicContact CE2-CZ 4.14Å; F717-L766 HydrophobicContact CD2-CD1 3.97Å; F717-V774 HydrophobicContact CD2-CG1 4.34Å; F717-V774 HydrophobicContact CE1-CG2 4.15Å; F717-V774 HydrophobicContact CE2-CG1 4.4Å; F717-V774 HydrophobicContact CE2-CG2 4.11Å; F717-V774 HydrophobicContact CZ-CG2 3.76Å; F717-Q776 VanDerWaalsContact CZ-NE2 3.34Å; F717-T791 HydrophobicContact CE1-CG2 4.37Å; F717-T791 HydrophobicContact CZ-CG2 4.12Å; F717-L802 HydrophobicContact CD1-CD1 4.31Å; F717-V804 HydrophobicContact CD1-CB 4.26Å; F717-V804 HydrophobicContact CE1-CB 4.36Å; F717-L877 HydrophobicContact CD1-CD1 3.9Å; F717-L877 HydrophobicContact CE1-CD1 3.58Å; F717-Y897 WeakPolarHBondContact CZ-OH 3.43Å |
| 718 | V | 98.7 | Very high | 96.2 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 144.2 | 179.9 | -66.6 | 0 | 0 | 0 | 0 | 109.9 | Q716 F720 R740 K741 K803 E805 | Q716-V718 HydrophobicContact CG-CG1 4.1Å; V718-F720 HydrophobicContact CB-CE2 4.18Å; V718-F720 HydrophobicContact CG2-CD2 4.39Å; V718-F720 HydrophobicContact CG2-CE2 3.48Å; V718-F720 VanDerWaalsContact CG2-CE2 3.48Å; V718-F720 HydrophobicContact CG2-CZ 4.01Å; V718-R740 HydrophobicContact CB-CG 4.37Å; V718-R740 HydrophobicContact CG1-CG 4.33Å; V718-K741 WeakPolarHBondContact CA-O 2.89Å; V718-K803 HydrophobicContact CG2-CB 3.92Å; V718-K803 WeakPolarHBondContact CG2-O 3.47Å; V718-K803 PolarHBondContact N-O 3.45Å; V718-K803 PolarHBondContact O-N 3.3Å; V718-E805 HydrophobicContact CG1-CG 4.39Å; V718-E805 HydrophobicContact CG2-CG 3.91Å |
| 719 | I | 98.4 | Very high | 96.2 | Very high | 20 Ų | 20 | 39.8 Ų | 39.8 | 10% | 0.103 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 138.7 | 174.4 | -161.5 | 167.1 | 0 | 0 | 0 | 109.9 | K741 I768 W795 E797 K800 F801 | I719-K741 HydrophobicContact CG2-CB 3.77Å; I719-K741 PolarHBondContact N-O 3.02Å; I719-K741 PolarHBondContact O-N 3.08Å; I719-I768 HydrophobicContact CD1-CG2 3.75Å; I719-W795 HydrophobicContact CD1-CH2 4.25Å; I719-E797 HydrophobicContact CD1-CG 4.39Å; I719-K800 HydrophobicContact CD1-CB 3.87Å; I719-K800 HydrophobicContact CD1-CD 3.78Å; I719-K800 HydrophobicContact CD1-CG 3.9Å; I719-K800 HydrophobicContact CG1-CB 4.01Å; I719-K800 HydrophobicContact CG1-CD 3.92Å; I719-K800 HydrophobicContact CG1-CG 4.32Å; I719-F801 WeakPolarHBondContact CA-O 3.13Å |
| 720 | F | 98.6 | Very high | 96.3 | Very high | 6 Ų | 6 | 39.3 Ų | 39.3 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 153.3 | 174.4 | -57.4 | -97.7 | 0 | 0 | 0 | 109.7 | V718 H736 L737 R740 K800 F801 K803 | V718-F720 HydrophobicContact CB-CE2 4.18Å; V718-F720 HydrophobicContact CG2-CD2 4.39Å; V718-F720 HydrophobicContact CG2-CE2 3.48Å; V718-F720 VanDerWaalsContact CG2-CE2 3.48Å; V718-F720 HydrophobicContact CG2-CZ 4.01Å; F720-H736 WeakPolarHBondContact CD1-O 3.23Å; F720-H736 AromaticContact CG-CD2 4Å; F720-L737 HydrophobicContact CE1-CD2 4.34Å; F720-R740 HydrophobicContact CD1-CB 3.91Å; F720-R740 HydrophobicContact CD1-CG 4.45Å; F720-R740 HydrophobicContact CE1-CB 3.41Å; F720-R740 VanDerWaalsContact CE1-CB 3.41Å; F720-R740 HydrophobicContact CE1-CG 3.68Å; F720-R740 HydrophobicContact CZ-CB 4.08Å; F720-R740 HydrophobicContact CZ-CG 3.79Å; F720-K800 CarbonylContact O-C 3.59Å; F720-K800 VanDerWaalsContact O-CA 3.3Å; F720-K800 WeakPolarHBondContact O-CA 3.48Å; F720-F801 HydrophobicContact CB-CB 4.3Å; F720-F801 PolarHBondContact N-O 3.32Å; F720-F801 PolarHBondContact O-N 3.47Å; F720-K803 HydrophobicContact CD2-CD 4.29Å; F720-K803 HydrophobicContact CD2-CG 4.14Å; F720-K803 HydrophobicContact CE2-CB 4.14Å; F720-K803 HydrophobicContact CE2-CD 3.87Å; F720-K803 HydrophobicContact CE2-CG 3.91Å |
| 721 | D | 98 | Very high | 96.4 | Very high | 47 Ų | 47 | 33.4 Ų | 33.4 | 25% | 0.251 | 19% | 0.194 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 130.7 | 167.2 | -60.7 | -42.8 | 0 | 0 | 0 | 109 | H736 T739 K741 K800 | D721-H736 WeakPolarHBondContact O-CB 3.47Å; D721-T739 HydrophobicContact CB-CG2 4.02Å; D721-T739 PolarHBondContact N-OG1 3.18Å; D721-K741 IonicContact OD1-NZ 3.93Å; D721-K741 PolarHBondContact OD1-NZ 3.15Å; D721-K741 IonicContact OD2-NZ 2.91Å; D721-K741 PolarHBondContact OD2-NZ 2.74Å; D721-K800 VanDerWaalsContact OD1-CE 3.23Å; D721-K800 WeakPolarHBondContact OD1-CE 3.25Å; D721-K800 IonicContact OD1-NZ 3.42Å; D721-K800 PolarHBondContact OD1-NZ 3.19Å |
| 722 | D | 97.3 | Very high | 96.6 | Very high | 1 Ų | 1 | 29.3 Ų | 29.3 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | trans | -125.8 | 85.2 | -171.2 | -171.8 | 25.6 | 0 | 0 | 0 | 109.9 | H799 F801 R879 | D722-H799 PolarHBondContact N-O 2.89Å; D722-H799 WeakPolarHBondContact O-CA 3.35Å; D722-H799 VanDerWaalsContact O-CB 3.24Å; D722-H799 WeakPolarHBondContact O-CB 3.18Å; D722-H799 PolarHBondContact O-CD2 3.01Å; D722-F801 HydrophobicContact CB-CB 4.01Å; D722-R879 IonicContact OD1-CZ 3.37Å; D722-R879 IonicContact OD1-NH1 2.84Å; D722-R879 PolarHBondContact OD1-NH1 3.29Å; D722-R879 IonicContact OD1-NH2 2.82Å; D722-R879 IonicContact OD2-CZ 3.08Å; D722-R879 IonicContact OD2-NE 2.63Å; D722-R879 PolarHBondContact OD2-NE 3.38Å; D722-R879 IonicContact OD2-NH1 3.37Å; D722-R879 PolarHBondContact OD2-NH1 3.47Å; D722-R879 IonicContact OD2-NH2 3.03Å; D722-R879 PolarHBondContact OD2-NH2 3.4Å | ||
| 723 | V | 95.9 | Very high | 96.5 | Very high | 88 Ų | 88 | 28 Ų | 28 | 53% | 0.533 | 14% | 0.14 | S | C | . | . | trans | -130.2 | 93.9 | 179.6 | -176.9 | 0 | 0 | 0 | 0 | 106.9 | Y735 H799 | V723-Y735 WeakPolarHBondContact O-CE2 3.04Å; V723-Y735 PolarHBondContact O-OH 3.21Å; V723-H799 HydrophobicContact CG2-CB 3.87Å | ||
| 724 | P | 94.3 | Very high | 96.4 | Very high | 21 Ų | 21 | 28.8 Ų | 28.8 | 14% | 0.136 | 14% | 0.142 | C | C | . | . | trans | -76.9 | 176.7 | -177.9 | 30.3 | -33.8 | 0 | 0 | 0 | 112.8 | D731 M733 | P724-D731 HydrophobicContact CB-CB 3.51Å; P724-D731 WeakPolarHBondContact CB-O 3.42Å; P724-D731 HydrophobicContact CG-CB 4.19Å; P724-M733 HydrophobicContact CB-CG 4.02Å | ||
| 725 | L | 91.3 | Very high | 96.2 | Very high | 95 Ų | 95 | 32.6 Ų | 32.6 | 50% | 0.497 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -76.8 | -41.7 | -177.5 | -67.5 | 179.5 | 0 | 0 | 0 | 113.7 | M733 Y735 | L725-M733 HydrophobicContact CB-SD 4.47Å; L725-M733 HydrophobicContact CD1-CE 3.45Å; L725-M733 VanDerWaalsContact CD1-CE 3.45Å; L725-M733 HydrophobicContact CD1-SD 4.19Å; L725-M733 HydrophobicContact CG-CE 3.86Å; L725-M733 HydrophobicContact CG-CG 4.16Å; L725-M733 HydrophobicContact CG-SD 4.08Å; L725-Y735 HydrophobicContact CD2-CE1 4.23Å; L725-Y735 HydrophobicContact CG-CE1 4.38Å |
| 726 | Y | 88.9 | Confident | 96.1 | Very high | 138 Ų | 138 | 32.6 Ų | 32.6 | 54% | 0.541 | 16% | 0.157 | S | C | . | . | S | Bend | trans | -126.3 | -57 | -164.6 | -54 | -65.1 | 0 | 0 | 0 | 112.7 | L401 | L401-Y726 HydrophobicContact CD1-CE2 4.35Š|
| 727 | W | 95.8 | Very high | 96 | Very high | 66 Ų | 66 | 34.1 Ų | 34.1 | 25% | 0.25 | 17% | 0.165 | C | C | . | . | trans | -124.1 | 111.1 | -170.5 | -61.6 | -81 | 0 | 0 | 0 | 111.6 | I162 W399 L518 H519 W730 D731 | I162-W727 HydrophobicContact CD1-CB 4.46Å; I162-W727 HydrophobicContact CD1-CG 4.37Å; W399-W727 HydrophobicContact CE3-CH2 4.16Å; W399-W727 AromaticContact CZ3-CH2 3.69Å; W399-W727 HydrophobicContact CZ3-CH2 3.69Å; W399-W727 AromaticContact CZ3-CZ2 3.89Å; W399-W727 HydrophobicContact CZ3-CZ2 3.89Å; W399-W727 HydrophobicContact CZ3-CZ3 4.39Å; L518-W727 HydrophobicContact CD2-CE3 4.34Å; L518-W727 HydrophobicContact CD2-CZ3 3.81Å; H519-W727 AromaticContact NE2-CE3 3.84Å; W727-W730 HydrophobicContact CB-CB 3.84Å; W727-W730 HydrophobicContact CB-CD2 4.08Å; W727-W730 HydrophobicContact CB-CE3 3.8Å; W727-W730 HydrophobicContact CB-CG 4.17Å; W727-W730 PolarHBondContact O-N 3.34Å; W727-D731 VanDerWaalsContact CE3-OD2 3.31Å; W727-D731 PolarHBondContact N-OD2 2.98Å; W727-D731 WeakPolarHBondContact O-CB 3.44Å; W727-D731 PolarHBondContact O-N 2.88Å | ||
| 728 | D | 95.9 | Very high | 95.9 | Very high | 22 Ų | 22 | 42.2 Ų | 42.2 | 12% | 0.118 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -56.9 | -168.9 | -163.4 | 3.6 | 0 | 0 | 0 | 113.7 | W730 H799 R879 P881 K882 A883 | D728-W730 VanDerWaalsContact C-N 3.3Å; D728-W730 PolarHBondContact O-N 2.83Å; D728-H799 IonicContact OD1-CD2 2.63Å; D728-H799 PolarHBondContact OD1-CD2 3.26Å; D728-H799 IonicContact OD1-NE2 3.2Å; D728-H799 IonicContact OD2-CD2 3.32Å; D728-H799 IonicContact OD2-CE1 3.08Å; D728-H799 IonicContact OD2-NE2 3.91Å; D728-H799 PolarHBondContact OD2-NE2 3.18Å; D728-R879 PolarHBondContact O-NH2 2.95Å; D728-P881 HydrophobicContact CB-CB 4.29Å; D728-P881 WeakPolarHBondContact OD1-CA 3.35Å; D728-P881 WeakPolarHBondContact OD1-CB 3.43Å; D728-K882 PolarHBondContact OD2-N 3.08Å; D728-A883 HydrophobicContact CB-CB 4.09Å; D728-A883 PolarHBondContact OD2-N 3.02Å |
| 729 | A | 97.8 | Very high | 95.9 | Very high | 2 Ų | 2 | 44 Ų | 44 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -27.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | T525 P881 A883 | T525-A729 HydrophobicContact CG2-CB 3.99Å; T525-A729 PolarHBondContact OG1-O 2.86Å; A729-P881 HydrophobicContact CB-CB 4.25Å; A729-P881 HydrophobicContact CB-CG 4.18Å; A729-A883 WeakPolarHBondContact CB-O 3.43Å; A729-A883 PolarHBondContact N-O 2.93Å |
| 730 | W | 98.2 | Very high | 95.8 | Very high | 8 Ų | 8 | 48 Ų | 48 | 3% | 0.03 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -49.4 | -174.4 | -70.6 | -105.2 | 0 | 0 | 0 | 112.6 | W265 F374 H519 G521 T522 S583 W727 D728 P884 | W265-W730 HydrophobicContact CZ2-CZ2 4.35Å; W265-W730 AromaticContact NE1-CH2 3.41Å; W265-W730 AromaticContact NE1-CZ2 3.21Å; F374-W730 AromaticContact CE2-CD1 3.61Å; F374-W730 AromaticContact CE2-NE1 3.51Å; F374-W730 AromaticContact CZ-CD1 3.79Å; F374-W730 AromaticContact CZ-NE1 3.43Å; H519-W730 CarbonylContact C-O 3.43Å; H519-W730 WeakPolarHBondContact CA-O 3.31Å; H519-W730 HydrophobicContact CB-CB 4.07Å; H519-W730 VanDerWaalsContact CD2-CB 3.49Å; H519-W730 WeakPolarHBondContact CD2-CB 3.23Å; H519-W730 AromaticContact CD2-CD1 3.8Å; H519-W730 AromaticContact CD2-CG 3.93Å; H519-W730 AromaticContact CE1-CD1 3.84Å; H519-W730 AromaticContact CG-CD1 3.67Å; H519-W730 AromaticContact ND1-CD1 3.69Å; H519-W730 AromaticContact NE2-CD1 3.95Å; G521-W730 CarbonylContact C-O 3.53Å; G521-W730 WeakPolarHBondContact CA-O 3.38Å; G521-W730 PolarHBondContact N-O 2.87Å; T522-W730 HydrophobicContact CG2-CB 4.16Å; T522-W730 HydrophobicContact CG2-CG 4.22Å; T522-W730 PolarHBondContact N-O 3.24Å; S583-W730 VanDerWaalsContact CB-NE1 3.27Å; S583-W730 WeakPolarHBondContact O-CH2 3.32Å; S583-W730 WeakPolarHBondContact O-CZ2 3.48Å; W727-W730 HydrophobicContact CB-CB 3.84Å; W727-W730 HydrophobicContact CB-CD2 4.08Å; W727-W730 HydrophobicContact CB-CE3 3.8Å; W727-W730 HydrophobicContact CB-CG 4.17Å; W727-W730 PolarHBondContact O-N 3.34Å; D728-W730 VanDerWaalsContact C-N 3.3Å; D728-W730 PolarHBondContact O-N 2.83Å; W730-P884 HydrophobicContact CH2-CG 3.95Å; W730-P884 HydrophobicContact CZ3-CG 4.05Å |
| 731 | D | 97.4 | Very high | 95.8 | Very high | 1 Ų | 1 | 52.4 Ų | 52.4 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | trans | -96 | 141.4 | -163.5 | -72.6 | -33.9 | 0 | 0 | 0 | 112.9 | L518 H519 P724 W727 R879 | L518-D731 WeakPolarHBondContact CD1-OD1 3.21Å; L518-D731 WeakPolarHBondContact CG-OD1 3.35Å; H519-D731 WeakPolarHBondContact CA-OD1 3.36Å; H519-D731 IonicContact CD2-OD1 3.38Å; H519-D731 PolarHBondContact CD2-OD1 3.16Å; H519-D731 PolarHBondContact N-OD1 2.66Å; P724-D731 HydrophobicContact CB-CB 3.51Å; P724-D731 WeakPolarHBondContact CB-O 3.42Å; P724-D731 HydrophobicContact CG-CB 4.19Å; W727-D731 VanDerWaalsContact CE3-OD2 3.31Å; W727-D731 PolarHBondContact N-OD2 2.98Å; W727-D731 WeakPolarHBondContact O-CB 3.44Å; W727-D731 PolarHBondContact O-N 2.88Å; D731-R879 PolarHBondContact O-NH1 2.87Å; D731-R879 PolarHBondContact O-NH2 2.8Å | ||
| 732 | V | 95.6 | Very high | 95.8 | Very high | 6 Ų | 6 | 52.9 Ų | 52.9 | 4% | 0.036 | 25% | 0.252 | C | S | . | . | trans | -118.9 | 141.2 | 154.9 | 62.8 | 0 | 0 | 0 | 0 | 107.3 | N520 H736 F801 F839 E840 | N520-V732 HydrophobicContact CB-CG1 3.77Å; V732-H736 HydrophobicContact CG2-CB 4.39Å; V732-H736 WeakPolarHBondContact CG2-ND1 3.28Å; V732-F801 HydrophobicContact CB-CE1 4.43Å; V732-F801 HydrophobicContact CG2-CD1 4.04Å; V732-F801 HydrophobicContact CG2-CE1 3.97Å; V732-F839 HydrophobicContact CG1-CE2 3.81Å; V732-F839 HydrophobicContact CG1-CZ 4.19Å; V732-F839 HydrophobicContact CG2-CE2 4.38Å; V732-F839 WeakPolarHBondContact O-CZ 3.3Å; V732-E840 HydrophobicContact CG1-CB 4.08Å; V732-E840 HydrophobicContact CG1-CG 4.19Å | ||
| 733 | M | 94.9 | Very high | 95.8 | Very high | 13 Ų | 13 | 53.4 Ų | 53.4 | 6% | 0.064 | 26% | 0.255 | C | S | . | . | trans | -110.1 | 144.4 | -178.9 | -60.7 | -59.2 | -55.6 | 0 | 0 | 110.9 | L401 P724 L725 Y735 H736 | L401-M733 HydrophobicContact CD2-CE 3.69Å; P724-M733 HydrophobicContact CB-CG 4.02Å; L725-M733 HydrophobicContact CB-SD 4.47Å; L725-M733 HydrophobicContact CD1-CE 3.45Å; L725-M733 VanDerWaalsContact CD1-CE 3.45Å; L725-M733 HydrophobicContact CD1-SD 4.19Å; L725-M733 HydrophobicContact CG-CE 3.86Å; L725-M733 HydrophobicContact CG-CG 4.16Å; L725-M733 HydrophobicContact CG-SD 4.08Å; M733-Y735 HydrophobicContact CB-CD1 3.68Å; M733-Y735 HydrophobicContact CB-CD2 4.32Å; M733-Y735 HydrophobicContact CB-CE1 3.24Å; M733-Y735 HydrophobicContact CB-CE2 3.91Å; M733-Y735 HydrophobicContact CB-CG 4.21Å; M733-Y735 HydrophobicContact CE-CE1 4.33Å; M733-Y735 HydrophobicContact CG-CE1 3.69Å; M733-Y735 WeakPolarHBondContact CG-OH 3.32Å; M733-Y735 PolarHBondContact O-N 3.08Å; M733-Y735 VanDerWaalsContact O-N 3.12Å; M733-H736 WeakPolarHBondContact O-CB 3.35Å; M733-H736 PolarHBondContact O-N 3.47Å; M733-H736 PolarHBondContact O-ND1 3.39Å | ||
| 734 | D | 93.3 | Very high | 95.8 | Very high | 47 Ų | 47 | 54.5 Ų | 54.5 | 25% | 0.251 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -53.5 | -35.6 | -176.2 | 70.9 | -38.1 | 0 | 0 | 0 | 113.8 | H736 L737 W836 F839 | D734-H736 PolarHBondContact O-N 3.35Å; D734-H736 VanDerWaalsContact O-N 3.12Å; D734-L737 WeakPolarHBondContact O-CB 3.37Å; D734-L737 WeakPolarHBondContact O-CG 3.45Å; D734-L737 PolarHBondContact O-N 3.36Å; D734-L737 VanDerWaalsContact O-N 3.16Å; D734-W836 WeakPolarHBondContact OD2-CZ2 3.21Å; D734-W836 PolarHBondContact OD2-NE1 2.87Å; D734-W836 VanDerWaalsContact OD2-NE1 3.08Å; D734-F839 HydrophobicContact CB-CD1 3.88Å; D734-F839 HydrophobicContact CB-CE1 3.88Å; D734-F839 HydrophobicContact CB-CG 4.24Å; D734-F839 HydrophobicContact CB-CZ 4.22Å |
| 735 | Y | 95.1 | Very high | 96 | Very high | 81 Ų | 81 | 58.2 Ų | 58.2 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -62.1 | -18.2 | 177.3 | 59.6 | -108.8 | 0 | 0 | 0 | 114.2 | V723 L725 M733 L737 Q738 | V723-Y735 WeakPolarHBondContact O-CE2 3.04Å; V723-Y735 PolarHBondContact O-OH 3.21Å; L725-Y735 HydrophobicContact CD2-CE1 4.23Å; L725-Y735 HydrophobicContact CG-CE1 4.38Å; M733-Y735 HydrophobicContact CB-CD1 3.68Å; M733-Y735 HydrophobicContact CB-CD2 4.32Å; M733-Y735 HydrophobicContact CB-CE1 3.24Å; M733-Y735 HydrophobicContact CB-CE2 3.91Å; M733-Y735 HydrophobicContact CB-CG 4.21Å; M733-Y735 HydrophobicContact CE-CE1 4.33Å; M733-Y735 HydrophobicContact CG-CE1 3.69Å; M733-Y735 WeakPolarHBondContact CG-OH 3.32Å; M733-Y735 PolarHBondContact O-N 3.08Å; M733-Y735 VanDerWaalsContact O-N 3.12Å; Y735-L737 PolarHBondContact O-N 3.03Å; Y735-L737 VanDerWaalsContact O-N 3.15Å; Y735-Q738 WeakPolarHBondContact O-CB 3.43Å; Y735-Q738 PolarHBondContact O-N 3.42Å |
| 736 | H | 96.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 56.1 Ų | 56.1 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | G | 310 helix | trans | -55.3 | -34.1 | 174.3 | 84.1 | -76.9 | 0 | 0 | 0 | 111.1 | F720 D721 V732 M733 D734 Q738 T739 K803 F839 | F720-H736 WeakPolarHBondContact CD1-O 3.23Å; F720-H736 AromaticContact CG-CD2 4Å; D721-H736 WeakPolarHBondContact O-CB 3.47Å; V732-H736 HydrophobicContact CG2-CB 4.39Å; V732-H736 WeakPolarHBondContact CG2-ND1 3.28Å; M733-H736 WeakPolarHBondContact O-CB 3.35Å; M733-H736 PolarHBondContact O-N 3.47Å; M733-H736 PolarHBondContact O-ND1 3.39Å; D734-H736 PolarHBondContact O-N 3.35Å; D734-H736 VanDerWaalsContact O-N 3.12Å; H736-Q738 PolarHBondContact O-N 3.43Å; H736-T739 PolarHBondContact O-N 2.8Å; H736-T739 PolarHBondContact O-OG1 2.7Å; H736-K803 PolarHBondContact NE2-NZ 2.96Å; H736-F839 AromaticContact CE1-CD2 3.85Å; H736-F839 AromaticContact CE1-CE2 3.8Å |
| 737 | L | 95.4 | Very high | 96.7 | Very high | 51 Ų | 51 | 52.8 Ų | 52.8 | 27% | 0.267 | 26% | 0.256 | S | S | . | . | G | 310 helix | trans | -58.5 | -23.8 | -180 | -63.1 | 176.3 | 0 | 0 | 0 | 113.1 | F720 D734 Y735 T739 W830 F839 | F720-L737 HydrophobicContact CE1-CD2 4.34Å; D734-L737 WeakPolarHBondContact O-CB 3.37Å; D734-L737 WeakPolarHBondContact O-CG 3.45Å; D734-L737 PolarHBondContact O-N 3.36Å; D734-L737 VanDerWaalsContact O-N 3.16Å; Y735-L737 PolarHBondContact O-N 3.03Å; Y735-L737 VanDerWaalsContact O-N 3.15Å; L737-T739 PolarHBondContact O-N 2.91Å; L737-W830 HydrophobicContact CD1-CH2 4.16Å; L737-W830 HydrophobicContact CD1-CZ2 4.23Å; L737-F839 HydrophobicContact CD1-CB 4.22Å |
| 738 | Q | 96.9 | Very high | 96.8 | Very high | 172 Ų | 172 | 52.9 Ų | 52.9 | 80% | 0.804 | 26% | 0.259 | S | S | * | . | G | 310 helix | trans | -75.6 | -10.5 | 178.6 | -57.3 | 178.7 | 3.8 | 0 | 0 | 113.2 | Y735 H736 | Y735-Q738 WeakPolarHBondContact O-CB 3.43Å; Y735-Q738 PolarHBondContact O-N 3.42Å; H736-Q738 PolarHBondContact O-N 3.43Å |
| 739 | T | 97.9 | Very high | 96.9 | Very high | 37 Ų | 37 | 54.8 Ų | 54.8 | 23% | 0.227 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -103.8 | 11.2 | -174 | 68.9 | 0 | 0 | 0 | 0 | 113.6 | D721 H736 L737 K741 | D721-T739 HydrophobicContact CB-CG2 4.02Å; D721-T739 PolarHBondContact N-OG1 3.18Å; H736-T739 PolarHBondContact O-N 2.8Å; H736-T739 PolarHBondContact O-OG1 2.7Å; L737-T739 PolarHBondContact O-N 2.91Å; T739-K741 WeakPolarHBondContact O-CG 3.5Å; T739-K741 PolarHBondContact O-N 2.68Å |
| 740 | R | 97.8 | Very high | 96.9 | Very high | 104 Ų | 104 | 55.5 Ų | 55.5 | 39% | 0.392 | 28% | 0.277 | S | S | . | . | trans | -51 | 122.7 | -178 | -171.6 | 178.6 | 169 | -77 | -1.1 | 112.7 | V718 F720 E805 | V718-R740 HydrophobicContact CB-CG 4.37Å; V718-R740 HydrophobicContact CG1-CG 4.33Å; F720-R740 HydrophobicContact CD1-CB 3.91Å; F720-R740 HydrophobicContact CD1-CG 4.45Å; F720-R740 HydrophobicContact CE1-CB 3.41Å; F720-R740 VanDerWaalsContact CE1-CB 3.41Å; F720-R740 HydrophobicContact CE1-CG 3.68Å; F720-R740 HydrophobicContact CZ-CB 4.08Å; F720-R740 HydrophobicContact CZ-CG 3.79Å; R740-E805 IonicContact CZ-OE1 2.94Å; R740-E805 IonicContact CZ-OE2 2.82Å; R740-E805 VanDerWaalsContact CZ-OE2 3.26Å; R740-E805 IonicContact NE-OE1 2.68Å; R740-E805 PolarHBondContact NE-OE1 2.88Å; R740-E805 IonicContact NE-OE2 3.43Å; R740-E805 PolarHBondContact NE-OE2 3.43Å; R740-E805 IonicContact NH2-OE1 2.8Å; R740-E805 IonicContact NH2-OE2 3.71Å; R740-E805 PolarHBondContact NH2-OE2 2.88Å | ||
| 741 | K | 98.3 | Very high | 96.8 | Very high | 100 Ų | 100 | 59.6 Ų | 59.6 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 111.8 | 175.2 | -67.8 | 157.1 | -163.5 | 159.7 | 0 | 110.2 | V718 I719 D721 T739 | V718-K741 WeakPolarHBondContact CA-O 2.89Å; I719-K741 HydrophobicContact CG2-CB 3.77Å; I719-K741 PolarHBondContact N-O 3.02Å; I719-K741 PolarHBondContact O-N 3.08Å; D721-K741 IonicContact OD1-NZ 3.93Å; D721-K741 PolarHBondContact OD1-NZ 3.15Å; D721-K741 IonicContact OD2-NZ 2.91Å; D721-K741 PolarHBondContact OD2-NZ 2.74Å; T739-K741 WeakPolarHBondContact O-CG 3.5Å; T739-K741 PolarHBondContact O-N 2.68Å |
| 742 | P | 97.9 | Very high | 96.8 | Very high | 56 Ų | 56 | 62.3 Ų | 62.3 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63 | 141.2 | 172.4 | -23.2 | 34.7 | 0 | 0 | 0 | 112.4 | M744 | P742-M744 HydrophobicContact CB-CG 4.27Å; P742-M744 HydrophobicContact CB-SD 3.88Å |
| 743 | I | 98.1 | Very high | 96.8 | Very high | 12 Ų | 12 | 64.3 Ų | 64.3 | 6% | 0.062 | 33% | 0.33 | C | S | . | . | trans | -87.6 | 117.5 | 174.3 | -53.3 | -173.6 | 0 | 0 | 0 | 108.4 | Q716 F717 L766 R767 I768 L802 | Q716-I743 PolarHBondContact NE2-O 2.83Å; F717-I743 HydrophobicContact CB-CB 4.18Å; F717-I743 HydrophobicContact CB-CD1 3.95Å; F717-I743 HydrophobicContact CB-CG1 4.21Å; F717-I743 PolarHBondContact O-N 2.96Å; I743-L766 HydrophobicContact CG2-CB 4.04Å; I743-L766 HydrophobicContact CG2-CD1 4.29Å; I743-R767 WeakPolarHBondContact CG2-O 3.43Å; I743-I768 HydrophobicContact CD1-CB 4.18Å; I743-I768 HydrophobicContact CD1-CD1 4.44Å; I743-I768 HydrophobicContact CD1-CG1 3.85Å; I743-I768 HydrophobicContact CD1-CG2 3.93Å; I743-L802 HydrophobicContact CD1-CD1 3.72Å | ||
| 744 | M | 95.9 | Very high | 96.9 | Very high | 112 Ų | 112 | 66.6 Ų | 66.6 | 55% | 0.552 | 34% | 0.342 | S | S | * | . | trans | -123.6 | -12.5 | -170.7 | -56.8 | -57.6 | -60.5 | 0 | 0 | 113.8 | P742 V746 | P742-M744 HydrophobicContact CB-CG 4.27Å; P742-M744 HydrophobicContact CB-SD 3.88Å; M744-V746 PolarHBondContact O-N 2.85Å | ||
| 745 | E | 97.7 | Very high | 96.8 | Very high | 99 Ų | 99 | 69.1 Ų | 69.1 | 46% | 0.463 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 105.1 | -174.4 | -173.6 | 177.8 | 175.4 | 0 | 0 | 110.8 | L766 R767 | E745-L766 WeakPolarHBondContact O-CA 3.45Å; E745-R767 HydrophobicContact CB-CB 4.08Å; E745-R767 HydrophobicContact CG-CB 3.98Å; E745-R767 PolarHBondContact O-N 3.08Å; E745-R767 WeakPolarHBondContact OE1-CD 3.48Å; E745-R767 IonicContact OE1-CZ 2.79Å; E745-R767 IonicContact OE1-NE 3.65Å; E745-R767 IonicContact OE1-NH1 3.51Å; E745-R767 PolarHBondContact OE1-NH1 2.84Å |
| 746 | V | 97.8 | Very high | 96.7 | Very high | 51 Ų | 51 | 66.6 Ų | 66.6 | 31% | 0.309 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 118.1 | 179.5 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | D692 M744 P749 L766 | D692-V746 HydrophobicContact CB-CG2 3.59Å; M744-V746 PolarHBondContact O-N 2.85Å; V746-P749 HydrophobicContact CG1-CB 4.09Å; V746-L766 HydrophobicContact CB-CD2 4.29Å; V746-L766 HydrophobicContact CG2-CD2 3.81Å |
| 747 | V | 97.6 | Very high | 96.6 | Very high | 67 Ų | 67 | 68.1 Ų | 68.1 | 41% | 0.406 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | -48.4 | 172.9 | -179.7 | 0 | 0 | 0 | 0 | 110.2 | T765 R767 | V747-T765 HydrophobicContact CB-CG2 4.04Å; V747-T765 HydrophobicContact CG1-CG2 4.43Å; V747-T765 HydrophobicContact CG2-CG2 4.46Å; V747-T765 PolarHBondContact N-O 2.88Å; V747-R767 HydrophobicContact CG2-CB 3.63Å |
| 748 | Q | 97.6 | Very high | 96.5 | Very high | 69 Ų | 69 | 67.2 Ų | 67.2 | 32% | 0.322 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 115.9 | 176.3 | -175.7 | 173.7 | 0.1 | 0 | 0 | 107.4 | T765 | Q748-T765 PolarHBondContact N-O 2.55Å; Q748-T765 VanDerWaalsContact N-O 3.09Å; Q748-T765 PolarHBondContact O-N 2.91Å |
| 749 | P | 97.5 | Very high | 96.5 | Very high | 62 Ų | 62 | 61 Ų | 61 | 40% | 0.403 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 164.2 | 176.6 | 30.5 | -35.2 | 0 | 0 | 0 | 110.2 | K691 V746 Q751 | K691-P749 HydrophobicContact CB-CB 4.47Å; K691-P749 VanDerWaalsContact O-CA 3.24Å; K691-P749 WeakPolarHBondContact O-CA 3.27Å; V746-P749 HydrophobicContact CG1-CB 4.09Å; P749-Q751 PolarHBondContact O-N 2.95Å |
| 750 | V | 97.8 | Very high | 96.5 | Very high | 16 Ų | 16 | 59.2 Ų | 59.2 | 10% | 0.097 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -49.8 | 125.4 | 177.2 | 171 | 0 | 0 | 0 | 0 | 111.8 | V678 I689 R690 K691 V762 S763 F764 | V678-V750 HydrophobicContact CB-CG1 4.32Å; V678-V750 HydrophobicContact CG2-CG1 3.66Å; I689-V750 HydrophobicContact CG2-CG1 4.41Å; I689-V750 HydrophobicContact CG2-CG2 3.92Å; R690-V750 WeakPolarHBondContact O-CG2 3.5Å; K691-V750 PolarHBondContact O-N 2.84Å; V750-V762 HydrophobicContact CG1-CB 3.75Å; V750-V762 HydrophobicContact CG1-CG1 4.16Å; V750-V762 HydrophobicContact CG1-CG2 3.83Å; V750-S763 CarbonylContact C-O 3.52Å; V750-S763 WeakPolarHBondContact CA-O 3.3Å; V750-F764 HydrophobicContact CG2-CB 3.83Å; V750-F764 HydrophobicContact CG2-CD1 4.29Å; V750-F764 HydrophobicContact CG2-CG 4.22Å |
| 751 | Q | 97.3 | Very high | 96.5 | Very high | 95 Ų | 95 | 54.3 Ų | 54.3 | 44% | 0.444 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 141.6 | 175.5 | -72.1 | 176.4 | 2 | 0 | 0 | 109.9 | P749 A753 V762 S763 | P749-Q751 PolarHBondContact O-N 2.95Å; Q751-A753 PolarHBondContact O-N 2.77Å; Q751-V762 CarbonylContact O-C 3.58Å; Q751-V762 WeakPolarHBondContact O-CA 3.5Å; Q751-V762 WeakPolarHBondContact O-CB 3.46Å; Q751-S763 PolarHBondContact N-O 3.09Å; Q751-S763 PolarHBondContact O-N 2.86Å |
| 752 | V | 97.5 | Very high | 96.5 | Very high | 57 Ų | 57 | 49.5 Ų | 49.5 | 35% | 0.345 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 116.6 | 175 | 178.9 | 0 | 0 | 0 | 0 | 109 | V670 P672 V678 P755 V762 | V670-V752 HydrophobicContact CB-CG1 4.47Å; V670-V752 HydrophobicContact CG1-CB 4.46Å; V670-V752 HydrophobicContact CG1-CG1 3.91Å; V670-V752 HydrophobicContact CG1-CG2 3.78Å; P672-V752 HydrophobicContact CG-CG2 4.01Å; V678-V752 HydrophobicContact CG1-CG2 4.38Å; V678-V752 HydrophobicContact CG2-CG2 4.47Å; V752-P755 HydrophobicContact CG1-CB 4.44Å; V752-V762 HydrophobicContact CG2-CG1 4.39Å |
| 753 | A | 95.4 | Very high | 96.5 | Very high | 49 Ų | 49 | 48.3 Ų | 48.3 | 41% | 0.405 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | Q751 S761 | Q751-A753 PolarHBondContact O-N 2.77Å; A753-S761 WeakPolarHBondContact CB-OG 3.14Å; A753-S761 PolarHBondContact N-O 3.2Å |
| 754 | L | 95.3 | Very high | 96.6 | Very high | 60 Ų | 60 | 47.8 Ų | 47.8 | 31% | 0.314 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 124.6 | 172.7 | -66 | 174.1 | 0 | 0 | 0 | 110.1 | L646 G756 R759 S761 | L646-L754 HydrophobicContact CD1-CD1 4.13Å; L754-G756 VanDerWaalsContact C-N 3.26Å; L754-G756 PolarHBondContact O-N 3.34Å; L754-R759 HydrophobicContact CD1-CB 4.46Å; L754-R759 HydrophobicContact CD1-CG 3.89Å; L754-S761 PolarHBondContact N-O 3.36Å; L754-S761 PolarHBondContact N-OG 2.84Å; L754-S761 PolarHBondContact O-N 3.16Å; L754-S761 VanDerWaalsContact O-N 3.12Å |
| 755 | P | 92.1 | Very high | 96.7 | Very high | 100 Ų | 100 | 43.1 Ų | 43.1 | 65% | 0.649 | 26% | 0.259 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.6 | -8.4 | -172.6 | 30.2 | -35.9 | 0 | 0 | 0 | 114.7 | V670 V752 | V670-P755 PolarHBondContact N-O 3.17Å; V752-P755 HydrophobicContact CG1-CB 4.44Å |
| 756 | G | 92.2 | Very high | 96.8 | Very high | 28 Ų | 28 | 38.5 Ų | 38.5 | 29% | 0.289 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 127.3 | -163.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | V668 L754 R759 | V668-G756 CarbonylContact O-C 3.35Å; V668-G756 WeakPolarHBondContact O-CA 3.47Å; L754-G756 VanDerWaalsContact C-N 3.26Å; L754-G756 PolarHBondContact O-N 3.34Å; G756-R759 CarbonylContact C-O 3.56Å; G756-R759 WeakPolarHBondContact CA-O 3.49Å |
| 757 | G | 94.1 | Very high | 96.8 | Very high | 33 Ų | 33 | 40.7 Ų | 40.7 | 34% | 0.34 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 107.1 | -110.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | P667 V668 | P667-G757 CarbonylContact C-O 3.58Å; P667-G757 VanDerWaalsContact CA-O 3.31Å; P667-G757 WeakPolarHBondContact CA-O 3.49Å; P667-G757 WeakPolarHBondContact CB-O 3.42Å; V668-G757 PolarHBondContact N-O 2.85Å; V668-G757 PolarHBondContact O-N 3.33Å |
| 758 | V | 94.5 | Very high | 96.8 | Very high | 32 Ų | 32 | 38.7 Ų | 38.7 | 19% | 0.194 | 23% | 0.227 | C | C | . | . | S | Bend | trans | -83.3 | -25.5 | 171.5 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | V634 L646 L648 P664 A782 | V634-V758 HydrophobicContact CG1-CB 4.41Å; V634-V758 HydrophobicContact CG1-CG2 4.14Å; V634-V758 HydrophobicContact CG2-CB 4.33Å; V634-V758 WeakPolarHBondContact CG2-O 3.44Å; L646-V758 HydrophobicContact CB-CG2 3.75Å; L648-V758 HydrophobicContact CB-CG1 4.29Å; P664-V758 HydrophobicContact CG-CG1 4.34Å; V758-A782 WeakPolarHBondContact O-CB 3.41Å; V758-A782 PolarHBondContact O-N 3.08Å |
| 759 | R | 96.9 | Very high | 96.8 | Very high | 42 Ų | 42 | 36.5 Ų | 36.5 | 16% | 0.158 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 134.7 | 177.5 | 175.9 | 171 | -72 | 166.9 | 6.6 | 109.5 | V634 L646 L754 G756 I779 M780 D781 | V634-R759 HydrophobicContact CG1-CB 4.38Å; V634-R759 PolarHBondContact O-NH2 3.04Å; L646-R759 HydrophobicContact CD1-CB 3.85Å; L646-R759 HydrophobicContact CD1-CG 4.41Å; L754-R759 HydrophobicContact CD1-CB 4.46Å; L754-R759 HydrophobicContact CD1-CG 3.89Å; G756-R759 CarbonylContact C-O 3.56Å; G756-R759 WeakPolarHBondContact CA-O 3.49Å; R759-I779 HydrophobicContact CG-CG2 3.76Å; R759-M780 WeakPolarHBondContact CA-O 3.26Å; R759-D781 WeakPolarHBondContact CB-OD1 3.41Å; R759-D781 WeakPolarHBondContact CG-OD1 3.44Å; R759-D781 IonicContact CZ-OD1 2.64Å; R759-D781 VanDerWaalsContact CZ-OD1 3.31Å; R759-D781 IonicContact CZ-OD2 2.67Å; R759-D781 IonicContact NE-OD1 3.49Å; R759-D781 PolarHBondContact NE-OD1 3.29Å; R759-D781 IonicContact NE-OD2 3.11Å; R759-D781 VanDerWaalsContact NH2-CG 3.35Å; R759-D781 IonicContact NH2-OD1 2.87Å; R759-D781 PolarHBondContact NH2-OD1 2.92Å; R759-D781 VanDerWaalsContact NH2-OD1 3.11Å; R759-D781 IonicContact NH2-OD2 3.7Å; R759-D781 PolarHBondContact NH2-OD2 3.21Å |
| 760 | G | 97.4 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 144.4 | 164.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | M680 M780 | M680-G760 VanDerWaalsContact CE-C 3.43Å; M680-G760 VanDerWaalsContact CE-O 3.23Å; M680-G760 WeakPolarHBondContact CE-O 3.19Å; G760-M780 PolarHBondContact N-O 2.5Å; G760-M780 PolarHBondContact O-N 2.62Å |
| 761 | S | 98.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 152.4 | 174.1 | 68 | 0 | 0 | 0 | 0 | 112.9 | A753 L754 E777 I778 | A753-S761 WeakPolarHBondContact CB-OG 3.14Å; A753-S761 PolarHBondContact N-O 3.2Å; L754-S761 PolarHBondContact N-O 3.36Å; L754-S761 PolarHBondContact N-OG 2.84Å; L754-S761 PolarHBondContact O-N 3.16Å; L754-S761 VanDerWaalsContact O-N 3.12Å; S761-E777 VanDerWaalsContact CB-OE1 3.26Å; S761-E777 WeakPolarHBondContact CB-OE1 3.14Å; S761-E777 PolarHBondContact OG-OE1 3.32Å; S761-I778 WeakPolarHBondContact CA-O 3.22Å; S761-I778 WeakPolarHBondContact CB-O 3.24Å |
| 762 | V | 98.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 151.1 | 170.9 | -55.9 | 0 | 0 | 0 | 0 | 110 | V670 V678 M680 I689 V750 Q751 V752 E777 I778 | V670-V762 HydrophobicContact CG1-CG1 4.09Å; V678-V762 HydrophobicContact CB-CG1 4.26Å; V678-V762 HydrophobicContact CG1-CG1 3.85Å; V678-V762 HydrophobicContact CG2-CG1 4.4Å; M680-V762 HydrophobicContact SD-CG1 3.99Å; M680-V762 HydrophobicContact SD-CG2 4.28Å; I689-V762 HydrophobicContact CD1-CG2 3.44Å; I689-V762 VanDerWaalsContact CD1-CG2 3.44Å; I689-V762 HydrophobicContact CG2-CG2 4.34Å; V750-V762 HydrophobicContact CG1-CB 3.75Å; V750-V762 HydrophobicContact CG1-CG1 4.16Å; V750-V762 HydrophobicContact CG1-CG2 3.83Å; Q751-V762 CarbonylContact O-C 3.58Å; Q751-V762 WeakPolarHBondContact O-CA 3.5Å; Q751-V762 WeakPolarHBondContact O-CB 3.46Å; V752-V762 HydrophobicContact CG2-CG1 4.39Å; V762-E777 CarbonylContact O-C 3.56Å; V762-E777 WeakPolarHBondContact O-CA 3.35Å; V762-I778 HydrophobicContact CG2-CB 3.95Å; V762-I778 HydrophobicContact CG2-CG1 4.47Å; V762-I778 PolarHBondContact N-O 3.26Å; V762-I778 PolarHBondContact O-N 3Å |
| 763 | S | 98.3 | Very high | 96.8 | Very high | 31 Ų | 31 | 40.5 Ų | 40.5 | 22% | 0.217 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 148.6 | 177.7 | 61.8 | 0 | 0 | 0 | 0 | 111.9 | V750 Q751 Q776 | V750-S763 CarbonylContact C-O 3.52Å; V750-S763 WeakPolarHBondContact CA-O 3.3Å; Q751-S763 PolarHBondContact N-O 3.09Å; Q751-S763 PolarHBondContact O-N 2.86Å; S763-Q776 WeakPolarHBondContact CA-O 3.45Å |
| 764 | F | 98.5 | Very high | 97 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 0% | 0.004 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 164.7 | 175.4 | 69.9 | -78.7 | 0 | 0 | 0 | 110.6 | D692 F717 V750 L766 T775 Q776 I778 | D692-F764 WeakPolarHBondContact O-CD2 3.24Å; D692-F764 VanDerWaalsContact O-CE2 3.31Å; D692-F764 WeakPolarHBondContact O-CE2 3.43Å; F717-F764 HydrophobicContact CE2-CE2 4.42Å; F717-F764 HydrophobicContact CE2-CZ 4.14Å; V750-F764 HydrophobicContact CG2-CB 3.83Å; V750-F764 HydrophobicContact CG2-CD1 4.29Å; V750-F764 HydrophobicContact CG2-CG 4.22Å; F764-L766 HydrophobicContact CD2-CD1 4.45Å; F764-L766 HydrophobicContact CD2-CD2 4.09Å; F764-L766 HydrophobicContact CD2-CG 3.87Å; F764-L766 HydrophobicContact CE2-CD1 3.85Å; F764-L766 HydrophobicContact CE2-CD2 4.3Å; F764-L766 HydrophobicContact CE2-CG 3.72Å; F764-T775 WeakPolarHBondContact O-CA 3.36Å; F764-Q776 HydrophobicContact CD1-CB 4.36Å; F764-Q776 HydrophobicContact CE1-CB 3.64Å; F764-Q776 HydrophobicContact CE1-CG 3.98Å; F764-Q776 HydrophobicContact CZ-CB 3.76Å; F764-Q776 HydrophobicContact CZ-CG 4.28Å; F764-Q776 VanDerWaalsContact CZ-OE1 3.3Å; F764-Q776 PolarHBondContact N-O 2.97Å; F764-Q776 VanDerWaalsContact N-O 3.07Å; F764-Q776 PolarHBondContact O-N 2.77Å; F764-I778 HydrophobicContact CD1-CD1 4.42Å; F764-I778 HydrophobicContact CE1-CD1 3.8Å; F764-I778 HydrophobicContact CE1-CG1 4Å |
| 765 | T | 98.8 | Very high | 97.1 | Very high | 13 Ų | 13 | 37.9 Ų | 37.9 | 8% | 0.08 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 128.2 | 179 | -53.5 | 0 | 0 | 0 | 0 | 110.5 | V747 Q748 V774 T775 | V747-T765 HydrophobicContact CB-CG2 4.04Å; V747-T765 HydrophobicContact CG1-CG2 4.43Å; V747-T765 HydrophobicContact CG2-CG2 4.46Å; V747-T765 PolarHBondContact N-O 2.88Å; Q748-T765 PolarHBondContact N-O 2.55Å; Q748-T765 VanDerWaalsContact N-O 3.09Å; Q748-T765 PolarHBondContact O-N 2.91Å; T765-V774 CarbonylContact C-O 3.59Å; T765-V774 VanDerWaalsContact CA-O 3.31Å; T765-V774 WeakPolarHBondContact CA-O 3.29Å; T765-T775 PolarHBondContact OG1-OG1 2.99Å |
| 766 | L | 98.7 | Very high | 97.4 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 148.8 | 172.7 | -54.1 | 178.3 | 0 | 0 | 0 | 111 | F717 I743 E745 V746 F764 T773 V774 | F717-L766 HydrophobicContact CD2-CD1 3.97Å; I743-L766 HydrophobicContact CG2-CB 4.04Å; I743-L766 HydrophobicContact CG2-CD1 4.29Å; E745-L766 WeakPolarHBondContact O-CA 3.45Å; V746-L766 HydrophobicContact CB-CD2 4.29Å; V746-L766 HydrophobicContact CG2-CD2 3.81Å; F764-L766 HydrophobicContact CD2-CD1 4.45Å; F764-L766 HydrophobicContact CD2-CD2 4.09Å; F764-L766 HydrophobicContact CD2-CG 3.87Å; F764-L766 HydrophobicContact CE2-CD1 3.85Å; F764-L766 HydrophobicContact CE2-CD2 4.3Å; F764-L766 HydrophobicContact CE2-CG 3.72Å; L766-T773 WeakPolarHBondContact O-CA 3.31Å; L766-V774 HydrophobicContact CB-CG1 3.74Å; L766-V774 HydrophobicContact CD1-CG1 4.42Å; L766-V774 HydrophobicContact CG-CG1 4.39Å; L766-V774 PolarHBondContact N-O 3.37Å; L766-V774 PolarHBondContact O-N 2.77Å |
| 767 | R | 98.4 | Very high | 97.8 | Very high | 97 Ų | 97 | 34.7 Ų | 34.7 | 37% | 0.366 | 18% | 0.183 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 121.2 | 170.7 | -169.3 | 166.7 | -59.8 | 151.1 | 1.1 | 109 | I743 E745 V747 S769 | I743-R767 WeakPolarHBondContact CG2-O 3.43Å; E745-R767 HydrophobicContact CB-CB 4.08Å; E745-R767 HydrophobicContact CG-CB 3.98Å; E745-R767 PolarHBondContact O-N 3.08Å; E745-R767 WeakPolarHBondContact OE1-CD 3.48Å; E745-R767 IonicContact OE1-CZ 2.79Å; E745-R767 IonicContact OE1-NE 3.65Å; E745-R767 IonicContact OE1-NH1 3.51Å; E745-R767 PolarHBondContact OE1-NH1 2.84Å; V747-R767 HydrophobicContact CG2-CB 3.63Å; R767-S769 WeakPolarHBondContact CD-O 3.28Å; R767-S769 WeakPolarHBondContact CG-O 3.32Å |
| 768 | I | 98.3 | Very high | 98 | Very high | 24 Ų | 24 | 33.1 Ų | 33.1 | 12% | 0.123 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -82.6 | -46.7 | 173.8 | -53.5 | -176.1 | 0 | 0 | 0 | 108.8 | I719 I743 S772 V774 V793 W795 L802 | I719-I768 HydrophobicContact CD1-CG2 3.75Å; I743-I768 HydrophobicContact CD1-CB 4.18Å; I743-I768 HydrophobicContact CD1-CD1 4.44Å; I743-I768 HydrophobicContact CD1-CG1 3.85Å; I743-I768 HydrophobicContact CD1-CG2 3.93Å; I768-S772 WeakPolarHBondContact CB-O 3.28Å; I768-S772 PolarHBondContact N-O 3.26Å; I768-V774 HydrophobicContact CD1-CB 4.21Å; I768-V774 HydrophobicContact CD1-CG1 4.36Å; I768-V774 HydrophobicContact CG1-CB 4.47Å; I768-V774 HydrophobicContact CG1-CG1 4.17Å; I768-V793 HydrophobicContact CD1-CG1 3.85Å; I768-W795 HydrophobicContact CD1-CE3 4.13Å; I768-W795 HydrophobicContact CD1-CZ3 4.03Å; I768-W795 HydrophobicContact CG2-CZ3 4.2Å; I768-L802 HydrophobicContact CD1-CD1 4.45Å; I768-L802 HydrophobicContact CD1-CD2 4.15Å |
| 769 | S | 97.6 | Very high | 98.2 | Very high | 24 Ų | 24 | 31.7 Ų | 31.7 | 17% | 0.168 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -152.9 | -172.8 | 178.3 | 73 | 0 | 0 | 0 | 0 | 110.2 | R767 K771 S772 E797 | R767-S769 WeakPolarHBondContact CD-O 3.28Å; R767-S769 WeakPolarHBondContact CG-O 3.32Å; S769-K771 PolarHBondContact O-N 3.29Å; S769-K771 PolarHBondContact OG-N 3.11Å; S769-S772 PolarHBondContact N-O 3.48Å; S769-S772 PolarHBondContact OG-N 3.42Å; S769-E797 WeakPolarHBondContact CB-OE1 3.46Å; S769-E797 PolarHBondContact OG-OE1 2.98Å |
| 770 | D | 96.1 | Very high | 98.2 | Very high | 144 Ų | 144 | 29.8 Ų | 29.8 | 77% | 0.77 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -62.8 | -17.1 | 170.5 | 62.1 | -40.7 | 0 | 0 | 0 | 113.7 | ||
| 771 | K | 96.8 | Very high | 98.2 | Very high | 140 Ų | 140 | 30.1 Ų | 30.1 | 61% | 0.609 | 15% | 0.153 | S | C | * | . | S | Bend | trans | -117.1 | -18.3 | -175.2 | -58 | 172.8 | -169.5 | 172 | 0 | 114.1 | S769 A796 | S769-K771 PolarHBondContact O-N 3.29Å; S769-K771 PolarHBondContact OG-N 3.11Å; K771-A796 HydrophobicContact CB-CB 3.98Å |
| 772 | S | 98.5 | Very high | 98.1 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -124.2 | 140 | -171.8 | -56.4 | 0 | 0 | 0 | 0 | 112.1 | I768 S769 Q794 A796 E797 | I768-S772 WeakPolarHBondContact CB-O 3.28Å; I768-S772 PolarHBondContact N-O 3.26Å; S769-S772 PolarHBondContact N-O 3.48Å; S769-S772 PolarHBondContact OG-N 3.42Å; S772-Q794 CarbonylContact C-O 3.54Å; S772-Q794 WeakPolarHBondContact CA-O 3.28Å; S772-Q794 VanDerWaalsContact CB-O 3.22Å; S772-Q794 WeakPolarHBondContact CB-O 3.31Å; S772-A796 PolarHBondContact OG-N 3.33Å; S772-E797 WeakPolarHBondContact CB-OE1 3.21Å; S772-E797 PolarHBondContact OG-OE1 2.87Å | ||
| 773 | T | 98.6 | Very high | 97.9 | Very high | 29 Ų | 29 | 33.8 Ų | 33.8 | 18% | 0.178 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 152 | 177.9 | 68.2 | 0 | 0 | 0 | 0 | 111 | L766 V793 Q794 | L766-T773 WeakPolarHBondContact O-CA 3.31Å; T773-V793 WeakPolarHBondContact O-CA 3.37Å; T773-Q794 PolarHBondContact N-O 3.29Å; T773-Q794 PolarHBondContact O-N 2.86Å; T773-Q794 PolarHBondContact OG1-OE1 3.17Å |
| 774 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 123.1 | 169.4 | 55.3 | 0 | 0 | 0 | 0 | 108.9 | F717 T765 L766 I768 T791 K792 V793 | F717-V774 HydrophobicContact CD2-CG1 4.34Å; F717-V774 HydrophobicContact CE1-CG2 4.15Å; F717-V774 HydrophobicContact CE2-CG1 4.4Å; F717-V774 HydrophobicContact CE2-CG2 4.11Å; F717-V774 HydrophobicContact CZ-CG2 3.76Å; T765-V774 CarbonylContact C-O 3.59Å; T765-V774 VanDerWaalsContact CA-O 3.31Å; T765-V774 WeakPolarHBondContact CA-O 3.29Å; L766-V774 HydrophobicContact CB-CG1 3.74Å; L766-V774 HydrophobicContact CD1-CG1 4.42Å; L766-V774 HydrophobicContact CG-CG1 4.39Å; L766-V774 PolarHBondContact N-O 3.37Å; L766-V774 PolarHBondContact O-N 2.77Å; I768-V774 HydrophobicContact CD1-CB 4.21Å; I768-V774 HydrophobicContact CD1-CG1 4.36Å; I768-V774 HydrophobicContact CG1-CB 4.47Å; I768-V774 HydrophobicContact CG1-CG1 4.17Å; V774-T791 HydrophobicContact CG2-CG2 3.65Å; V774-K792 WeakPolarHBondContact CA-O 3.47Å; V774-V793 HydrophobicContact CB-CG2 4.35Å; V774-V793 HydrophobicContact CG2-CG2 4.04Å |
| 775 | T | 98.8 | Very high | 97.7 | Very high | 54 Ų | 54 | 34.6 Ų | 34.6 | 33% | 0.331 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 125.9 | 170.2 | -57 | 0 | 0 | 0 | 0 | 107.9 | F764 T765 K792 | F764-T775 WeakPolarHBondContact O-CA 3.36Å; T765-T775 PolarHBondContact OG1-OG1 2.99Å; T775-K792 PolarHBondContact N-O 2.77Å; T775-K792 PolarHBondContact O-N 3.09Å; T775-K792 VanDerWaalsContact O-O 3.09Å |
| 776 | Q | 98.7 | Very high | 97.6 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 137.5 | -179.9 | -179.8 | 177.7 | 85 | 0 | 0 | 111.5 | N715 F717 S763 F764 I778 F789 N790 T791 Y897 | N715-Q776 PolarHBondContact ND2-OE1 3.26Å; N715-Q776 PolarHBondContact OD1-OE1 2.94Å; F717-Q776 VanDerWaalsContact CZ-NE2 3.34Å; S763-Q776 WeakPolarHBondContact CA-O 3.45Å; F764-Q776 HydrophobicContact CD1-CB 4.36Å; F764-Q776 HydrophobicContact CE1-CB 3.64Å; F764-Q776 HydrophobicContact CE1-CG 3.98Å; F764-Q776 HydrophobicContact CZ-CB 3.76Å; F764-Q776 HydrophobicContact CZ-CG 4.28Å; F764-Q776 VanDerWaalsContact CZ-OE1 3.3Å; F764-Q776 PolarHBondContact N-O 2.97Å; F764-Q776 VanDerWaalsContact N-O 3.07Å; F764-Q776 PolarHBondContact O-N 2.77Å; Q776-I778 HydrophobicContact CG-CG1 4.39Å; Q776-F789 HydrophobicContact CG-CB 4.41Å; Q776-N790 WeakPolarHBondContact CA-O 3.45Å; Q776-T791 PolarHBondContact NE2-OG1 2.88Å; Q776-Y897 PolarHBondContact NE2-OH 2.58Å |
| 777 | E | 98.7 | Very high | 97.6 | Very high | 60 Ų | 60 | 34.7 Ų | 34.7 | 28% | 0.28 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 120.2 | 167.7 | -173.1 | -175.1 | -162.8 | 0 | 0 | 109.3 | S761 V762 I779 N790 | S761-E777 VanDerWaalsContact CB-OE1 3.26Å; S761-E777 WeakPolarHBondContact CB-OE1 3.14Å; S761-E777 PolarHBondContact OG-OE1 3.32Å; V762-E777 CarbonylContact O-C 3.56Å; V762-E777 WeakPolarHBondContact O-CA 3.35Å; E777-I779 HydrophobicContact CG-CD1 4.17Å; E777-I779 HydrophobicContact CG-CG1 3.77Å; E777-N790 HydrophobicContact CB-CB 4.27Å; E777-N790 PolarHBondContact N-O 3.07Å; E777-N790 PolarHBondContact O-N 2.87Å |
| 778 | I | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 120.8 | 175.2 | -54.1 | 179.9 | 0 | 0 | 0 | 107.7 | I689 G693 L695 S761 V762 F764 Q776 V787 K788 F789 | I689-I778 HydrophobicContact CD1-CB 4.06Å; I689-I778 HydrophobicContact CD1-CD1 4Å; I689-I778 HydrophobicContact CD1-CG2 3.77Å; I689-I778 HydrophobicContact CG1-CD1 4.45Å; I689-I778 HydrophobicContact CG2-CD1 3.81Å; G693-I778 WeakPolarHBondContact O-CD1 3.23Å; L695-I778 HydrophobicContact CD2-CD1 4.48Å; S761-I778 WeakPolarHBondContact CA-O 3.22Å; S761-I778 WeakPolarHBondContact CB-O 3.24Å; V762-I778 HydrophobicContact CG2-CB 3.95Å; V762-I778 HydrophobicContact CG2-CG1 4.47Å; V762-I778 PolarHBondContact N-O 3.26Å; V762-I778 PolarHBondContact O-N 3Å; F764-I778 HydrophobicContact CD1-CD1 4.42Å; F764-I778 HydrophobicContact CE1-CD1 3.8Å; F764-I778 HydrophobicContact CE1-CG1 4Å; Q776-I778 HydrophobicContact CG-CG1 4.39Å; I778-V787 HydrophobicContact CG2-CG1 3.4Å; I778-K788 CarbonylContact C-O 3.01Å; I778-K788 WeakPolarHBondContact CA-O 3.47Å; I778-F789 HydrophobicContact CD1-CD1 4.29Å; I778-F789 HydrophobicContact CD1-CE1 4.04Å; I778-F789 HydrophobicContact CG1-CD1 3.86Å; I778-F789 HydrophobicContact CG1-CE1 4.02Å; I778-F789 HydrophobicContact CG2-CD1 4.27Å; I778-F789 HydrophobicContact CG2-CE1 3.94Å |
| 779 | I | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.015 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 132 | -169.8 | -56.4 | 174.9 | 0 | 0 | 0 | 109.9 | R759 E777 K788 N790 | R759-I779 HydrophobicContact CG-CG2 3.76Å; E777-I779 HydrophobicContact CG-CD1 4.17Å; E777-I779 HydrophobicContact CG-CG1 3.77Å; I779-K788 HydrophobicContact CB-CB 4.21Å; I779-K788 PolarHBondContact N-O 2.98Å; I779-K788 PolarHBondContact O-N 2.9Å; I779-N790 HydrophobicContact CD1-CB 4.32Å; I779-N790 WeakPolarHBondContact CD1-ND2 3.47Å |
| 780 | M | 98.1 | Very high | 97.7 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 122.4 | 169.4 | -170.9 | 179.5 | -75.4 | 0 | 0 | 109.1 | V668 M680 N682 L685 V687 R759 G760 V787 | V668-M780 HydrophobicContact CG1-CB 4.17Å; V668-M780 HydrophobicContact CG1-CG 4.22Å; V668-M780 HydrophobicContact CG1-SD 4.19Å; M680-M780 HydrophobicContact CB-CE 3.8Å; M680-M780 HydrophobicContact CB-SD 4.09Å; M680-M780 HydrophobicContact CE-CB 3.6Å; N682-M780 HydrophobicContact CB-CG 3.8Å; N682-M780 HydrophobicContact CB-SD 3.61Å; N682-M780 PolarHBondContact N-SD 3.25Å; L685-M780 HydrophobicContact CB-CE 4.27Å; V687-M780 HydrophobicContact CB-CE 3.99Å; V687-M780 HydrophobicContact CG2-CE 3.42Å; V687-M780 VanDerWaalsContact CG2-CE 3.42Å; R759-M780 WeakPolarHBondContact CA-O 3.26Å; G760-M780 PolarHBondContact N-O 2.5Å; G760-M780 PolarHBondContact O-N 2.62Å; M780-V787 HydrophobicContact CE-CG2 4.31Å |
| 781 | D | 97.1 | Very high | 97.8 | Very high | 8 Ų | 8 | 25.3 Ų | 25.3 | 4% | 0.043 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 148.2 | 175.4 | -79 | -26.2 | 0 | 0 | 0 | 110.8 | V634 N682 R759 C784 K788 | V634-D781 HydrophobicContact CB-CB 4.4Å; V634-D781 HydrophobicContact CG2-CB 3.9Å; N682-D781 PolarHBondContact ND2-O 3.19Å; R759-D781 WeakPolarHBondContact CB-OD1 3.41Å; R759-D781 WeakPolarHBondContact CG-OD1 3.44Å; R759-D781 IonicContact CZ-OD1 2.64Å; R759-D781 VanDerWaalsContact CZ-OD1 3.31Å; R759-D781 IonicContact CZ-OD2 2.67Å; R759-D781 IonicContact NE-OD1 3.49Å; R759-D781 PolarHBondContact NE-OD1 3.29Å; R759-D781 IonicContact NE-OD2 3.11Å; R759-D781 VanDerWaalsContact NH2-CG 3.35Å; R759-D781 IonicContact NH2-OD1 2.87Å; R759-D781 PolarHBondContact NH2-OD1 2.92Å; R759-D781 VanDerWaalsContact NH2-OD1 3.11Å; R759-D781 IonicContact NH2-OD2 3.7Å; R759-D781 PolarHBondContact NH2-OD2 3.21Å; D781-C784 HydrophobicContact CB-CB 3.67Å; D781-C784 WeakPolarHBondContact O-CB 3.44Å; D781-C784 PolarHBondContact O-N 2.79Å; D781-K788 WeakPolarHBondContact OD2-CE 3.4Å; D781-K788 IonicContact OD2-NZ 3.31Å; D781-K788 PolarHBondContact OD2-NZ 2.81Å |
| 782 | A | 95.3 | Very high | 97.9 | Very high | 2 Ų | 2 | 24.2 Ų | 24.2 | 2% | 0.017 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | 140.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | P664 V668 V758 C784 | P664-A782 HydrophobicContact CB-CB 3.5Å; P664-A782 HydrophobicContact CG-CB 4.21Å; V668-A782 HydrophobicContact CG2-CB 4.04Å; V668-A782 VanDerWaalsContact CG2-N 3.33Å; V758-A782 WeakPolarHBondContact O-CB 3.41Å; V758-A782 PolarHBondContact O-N 3.08Å; A782-C784 PolarHBondContact O-N 3.01Å; A782-C784 VanDerWaalsContact O-N 3.09Å |
| 783 | M | 93.9 | Very high | 97.9 | Very high | 75 Ų | 75 | 24.2 Ų | 24.2 | 37% | 0.369 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62 | 7.6 | -178.2 | -52.8 | -177.4 | 59.4 | 0 | 0 | 115.7 | C632 L648 | C632-M783 HydrophobicContact CB-CE 4.48Å; L648-M783 HydrophobicContact CD2-SD 3.87Å |
| 784 | C | 95.8 | Very high | 97.9 | Very high | 13 Ų | 13 | 27.8 Ų | 27.8 | 9% | 0.088 | 14% | 0.139 | C | C | . | . | trans | -92.6 | 126.6 | 177.3 | -173.6 | 0 | 0 | 0 | 0 | 110.4 | N682 D781 A782 Y786 | N682-C784 PolarHBondContact ND2-O 3.29Å; D781-C784 HydrophobicContact CB-CB 3.67Å; D781-C784 WeakPolarHBondContact O-CB 3.44Å; D781-C784 PolarHBondContact O-N 2.79Å; A782-C784 PolarHBondContact O-N 3.01Å; A782-C784 VanDerWaalsContact O-N 3.09Å; C784-Y786 PolarHBondContact O-N 3.01Å; C784-Y786 VanDerWaalsContact SG-CD2 3.53Å; C784-Y786 WeakPolarHBondContact SG-CE2 3.28Å | ||
| 785 | P | 96.9 | Very high | 97.9 | Very high | 36 Ų | 36 | 28 Ų | 28 | 23% | 0.234 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -84.3 | 11.2 | -175.8 | 34.9 | -35.8 | 0 | 0 | 0 | 113.7 | I684 L685 M900 | I684-P785 HydrophobicContact CG2-CB 4.44Å; L685-P785 WeakPolarHBondContact CD1-O 3.34Å; P785-M900 HydrophobicContact CB-CE 4.14Å; P785-M900 HydrophobicContact CG-CE 3.91Å; P785-M900 HydrophobicContact CG-SD 4.31Å |
| 786 | Y | 98.2 | Very high | 97.9 | Very high | 17 Ų | 17 | 27.5 Ų | 27.5 | 7% | 0.067 | 14% | 0.141 | C | C | . | . | S | Bend | trans | -141.3 | 158.8 | -178.6 | 55.4 | -102 | 0 | 0 | 0 | 112.1 | C784 K788 L859 A898 I899 M900 C914 L918 | C784-Y786 PolarHBondContact O-N 3.01Å; C784-Y786 VanDerWaalsContact SG-CD2 3.53Å; C784-Y786 WeakPolarHBondContact SG-CE2 3.28Å; Y786-K788 HydrophobicContact CD2-CG 3.82Å; Y786-K788 HydrophobicContact CE2-CD 3.94Å; Y786-K788 HydrophobicContact CE2-CG 3.58Å; Y786-L859 HydrophobicContact CD1-CD1 3.99Å; Y786-L859 HydrophobicContact CE1-CD1 4.29Å; Y786-L859 HydrophobicContact CG-CD1 4.19Å; Y786-A898 HydrophobicContact CD2-CB 3.58Å; Y786-A898 HydrophobicContact CE2-CB 4.19Å; Y786-A898 HydrophobicContact CG-CB 4.19Å; Y786-I899 WeakPolarHBondContact CA-O 3.42Å; Y786-I899 VanDerWaalsContact CB-O 3.3Å; Y786-I899 WeakPolarHBondContact CB-O 3.16Å; Y786-M900 HydrophobicContact CD1-SD 4.21Å; Y786-C914 HydrophobicContact CD1-CB 4.1Å; Y786-C914 HydrophobicContact CE1-CB 3.78Å; Y786-L918 HydrophobicContact CE2-CD1 4.37Å |
| 787 | V | 98.5 | Very high | 97.8 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 129.7 | 174.1 | -173.3 | 0 | 0 | 0 | 0 | 108.6 | L685 V687 L698 I778 M780 F789 A898 I899 | L685-V787 HydrophobicContact CD1-CG2 3.92Å; V687-V787 HydrophobicContact CG2-CG2 3.66Å; L698-V787 HydrophobicContact CD1-CG2 4.07Å; I778-V787 HydrophobicContact CG2-CG1 3.4Å; M780-V787 HydrophobicContact CE-CG2 4.31Å; V787-F789 HydrophobicContact CB-CE2 4.33Å; V787-F789 HydrophobicContact CB-CZ 4.23Å; V787-F789 HydrophobicContact CG1-CE1 4.37Å; V787-F789 HydrophobicContact CG1-CE2 4.36Å; V787-F789 HydrophobicContact CG1-CZ 3.95Å; V787-F789 WeakPolarHBondContact O-CE2 3.33Å; V787-A898 WeakPolarHBondContact O-CA 3.12Å; V787-A898 WeakPolarHBondContact O-CB 3.25Å; V787-I899 HydrophobicContact CB-CG2 4.2Å; V787-I899 PolarHBondContact N-O 2.93Å; V787-I899 VanDerWaalsContact N-O 3.09Å; V787-I899 PolarHBondContact O-N 2.74Å; V787-I899 VanDerWaalsContact O-N 3.1Å |
| 788 | K | 98.5 | Very high | 97.8 | Very high | 32 Ų | 32 | 28.6 Ų | 28.6 | 14% | 0.139 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 144.6 | 178.6 | -71 | -178.2 | -73.4 | -174.6 | 0 | 111.7 | I778 I779 D781 Y786 A898 L918 | I778-K788 CarbonylContact C-O 3.01Å; I778-K788 WeakPolarHBondContact CA-O 3.47Å; I779-K788 HydrophobicContact CB-CB 4.21Å; I779-K788 PolarHBondContact N-O 2.98Å; I779-K788 PolarHBondContact O-N 2.9Å; D781-K788 WeakPolarHBondContact OD2-CE 3.4Å; D781-K788 IonicContact OD2-NZ 3.31Å; D781-K788 PolarHBondContact OD2-NZ 2.81Å; Y786-K788 HydrophobicContact CD2-CG 3.82Å; Y786-K788 HydrophobicContact CE2-CD 3.94Å; Y786-K788 HydrophobicContact CE2-CG 3.58Å; K788-A898 HydrophobicContact CG-CB 4.29Å; K788-L918 HydrophobicContact CD-CD1 4.12Å; K788-L918 HydrophobicContact CG-CD1 4.34Å |
| 789 | F | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 93.3 | 178.8 | -58.3 | -84.8 | 0 | 0 | 0 | 109.6 | L695 N715 Q776 I778 V787 T791 F806 T896 Y897 I899 | L695-F789 HydrophobicContact CD1-CZ 4.06Å; L695-F789 HydrophobicContact CD2-CE1 4.34Å; L695-F789 HydrophobicContact CD2-CZ 4.5Å; N715-F789 HydrophobicContact CB-CE1 4.01Å; N715-F789 HydrophobicContact CB-CZ 4.44Å; Q776-F789 HydrophobicContact CG-CB 4.41Å; I778-F789 HydrophobicContact CD1-CD1 4.29Å; I778-F789 HydrophobicContact CD1-CE1 4.04Å; I778-F789 HydrophobicContact CG1-CD1 3.86Å; I778-F789 HydrophobicContact CG1-CE1 4.02Å; I778-F789 HydrophobicContact CG2-CD1 4.27Å; I778-F789 HydrophobicContact CG2-CE1 3.94Å; V787-F789 HydrophobicContact CB-CE2 4.33Å; V787-F789 HydrophobicContact CB-CZ 4.23Å; V787-F789 HydrophobicContact CG1-CE1 4.37Å; V787-F789 HydrophobicContact CG1-CE2 4.36Å; V787-F789 HydrophobicContact CG1-CZ 3.95Å; V787-F789 WeakPolarHBondContact O-CE2 3.33Å; F789-T791 PolarHBondContact O-N 3.34Å; F789-T791 PolarHBondContact O-OG1 2.85Å; F789-F806 HydrophobicContact CE2-CE1 4.31Å; F789-F806 HydrophobicContact CE2-CZ 4.06Å; F789-F806 HydrophobicContact CZ-CE1 4.2Å; F789-F806 HydrophobicContact CZ-CZ 4.25Å; F789-T896 WeakPolarHBondContact O-CA 3.38Å; F789-Y897 HydrophobicContact CB-CD1 4.21Å; F789-Y897 HydrophobicContact CB-CD2 3.76Å; F789-Y897 HydrophobicContact CB-CE1 3.96Å; F789-Y897 HydrophobicContact CB-CE2 3.43Å; F789-Y897 VanDerWaalsContact CB-CE2 3.43Å; F789-Y897 HydrophobicContact CB-CG 4.13Å; F789-Y897 HydrophobicContact CD1-CE2 4.09Å; F789-Y897 AromaticContact CD2-CD2 3.38Å; F789-Y897 HydrophobicContact CD2-CD2 3.38Å; F789-Y897 AromaticContact CD2-CE2 3.32Å; F789-Y897 HydrophobicContact CD2-CE2 3.32Å; F789-Y897 HydrophobicContact CD2-CG 4.37Å; F789-Y897 WeakPolarHBondContact CD2-O 3.35Å; F789-Y897 HydrophobicContact CE2-CD2 4.24Å; F789-Y897 HydrophobicContact CE2-CE2 4.1Å; F789-Y897 AromaticContact CG-CD2 3.79Å; F789-Y897 HydrophobicContact CG-CD2 3.79Å; F789-Y897 AromaticContact CG-CE2 3.33Å; F789-Y897 HydrophobicContact CG-CE2 3.33Å; F789-Y897 AromaticContact CG-CZ 3.88Å; F789-Y897 PolarHBondContact N-O 3.03Å; F789-Y897 PolarHBondContact O-N 2.81Å; F789-I899 HydrophobicContact CE2-CB 4.15Å; F789-I899 HydrophobicContact CE2-CG2 3.73Å; F789-I899 HydrophobicContact CZ-CG2 3.97Å |
| 790 | N | 98.6 | Very high | 97.7 | Very high | 57 Ų | 57 | 33 Ų | 33 | 31% | 0.305 | 17% | 0.173 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 107 | 174.2 | -75.4 | 8.2 | 0 | 0 | 0 | 108.3 | Q776 E777 I779 T896 | Q776-N790 WeakPolarHBondContact CA-O 3.45Å; E777-N790 HydrophobicContact CB-CB 4.27Å; E777-N790 PolarHBondContact N-O 3.07Å; E777-N790 PolarHBondContact O-N 2.87Å; I779-N790 HydrophobicContact CD1-CB 4.32Å; I779-N790 WeakPolarHBondContact CD1-ND2 3.47Å; N790-T896 WeakPolarHBondContact OD1-CG2 3.31Å |
| 791 | T | 98.8 | Very high | 97.7 | Very high | 2 Ų | 2 | 33 Ų | 33 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 129.4 | -168.9 | -51.5 | 0 | 0 | 0 | 0 | 110.4 | F717 V774 Q776 F789 V793 Q894 F895 Y897 | F717-T791 HydrophobicContact CE1-CG2 4.37Å; F717-T791 HydrophobicContact CZ-CG2 4.12Å; V774-T791 HydrophobicContact CG2-CG2 3.65Å; Q776-T791 PolarHBondContact NE2-OG1 2.88Å; F789-T791 PolarHBondContact O-N 3.34Å; F789-T791 PolarHBondContact O-OG1 2.85Å; T791-V793 HydrophobicContact CG2-CG2 3.92Å; T791-Q894 WeakPolarHBondContact O-CA 3.49Å; T791-F895 HydrophobicContact CG2-CE2 3.8Å; T791-F895 HydrophobicContact CG2-CZ 3.76Å; T791-F895 PolarHBondContact N-O 3.01Å; T791-F895 PolarHBondContact O-N 3.45Å; T791-F895 VanDerWaalsContact O-N 3.11Å; T791-Y897 WeakPolarHBondContact OG1-CE1 3.14Å |
| 792 | K | 98.8 | Very high | 97.8 | Very high | 117 Ų | 117 | 32.6 Ų | 32.6 | 51% | 0.509 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 125.4 | 170.7 | -58.4 | -171.5 | 176.2 | 174.3 | 0 | 109 | V774 T775 H893 Q894 | V774-K792 WeakPolarHBondContact CA-O 3.47Å; T775-K792 PolarHBondContact N-O 2.77Å; T775-K792 PolarHBondContact O-N 3.09Å; T775-K792 VanDerWaalsContact O-O 3.09Å; K792-H893 CarbonylContact C-O 3.57Å; K792-H893 VanDerWaalsContact CA-O 3.26Å; K792-H893 WeakPolarHBondContact CA-O 3.38Å; K792-Q894 HydrophobicContact CG-CG 4.09Å |
| 793 | V | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 32.6 Ų | 32.6 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 124 | 178.9 | -169.2 | 0 | 0 | 0 | 0 | 109.1 | I768 T773 V774 T791 W795 L802 L878 H893 F895 | I768-V793 HydrophobicContact CD1-CG1 3.85Å; T773-V793 WeakPolarHBondContact O-CA 3.37Å; V774-V793 HydrophobicContact CB-CG2 4.35Å; V774-V793 HydrophobicContact CG2-CG2 4.04Å; T791-V793 HydrophobicContact CG2-CG2 3.92Å; V793-W795 HydrophobicContact CG1-CB 4.16Å; V793-W795 HydrophobicContact CG1-CE3 4.02Å; V793-L802 HydrophobicContact CG1-CD2 4.15Å; V793-L802 HydrophobicContact CG2-CD2 4.23Å; V793-L878 HydrophobicContact CB-CD1 3.81Å; V793-L878 HydrophobicContact CG1-CD1 3.82Å; V793-L878 HydrophobicContact CG2-CD1 4.12Å; V793-H893 HydrophobicContact CB-CB 4.38Å; V793-H893 PolarHBondContact N-O 3.26Å; V793-H893 PolarHBondContact O-N 2.95Å; V793-F895 HydrophobicContact CG2-CE1 3.99Å; V793-F895 HydrophobicContact CG2-CZ 3.96Å |
| 794 | Q | 98.6 | Very high | 98.2 | Very high | 104 Ų | 104 | 29 Ų | 29 | 49% | 0.486 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 109.1 | 162.2 | -72.2 | 177.3 | -23.1 | 0 | 0 | 106.7 | S772 T773 D892 | S772-Q794 CarbonylContact C-O 3.54Å; S772-Q794 WeakPolarHBondContact CA-O 3.28Å; S772-Q794 VanDerWaalsContact CB-O 3.22Å; S772-Q794 WeakPolarHBondContact CB-O 3.31Å; T773-Q794 PolarHBondContact N-O 3.29Å; T773-Q794 PolarHBondContact O-N 2.86Å; T773-Q794 PolarHBondContact OG1-OE1 3.17Å; Q794-D892 WeakPolarHBondContact CG-OD1 3.27Å |
| 795 | W | 98.3 | Very high | 98.4 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 1% | 0.011 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 116.2 | -168.8 | -171 | -110.8 | 0 | 0 | 0 | 111.1 | I719 I768 V793 E797 K800 L802 L878 R879 A880 D889 M890 G891 | I719-W795 HydrophobicContact CD1-CH2 4.25Å; I768-W795 HydrophobicContact CD1-CE3 4.13Å; I768-W795 HydrophobicContact CD1-CZ3 4.03Å; I768-W795 HydrophobicContact CG2-CZ3 4.2Å; V793-W795 HydrophobicContact CG1-CB 4.16Å; V793-W795 HydrophobicContact CG1-CE3 4.02Å; W795-E797 HydrophobicContact CD2-CB 4.32Å; W795-E797 HydrophobicContact CD2-CG 4.15Å; W795-E797 HydrophobicContact CE3-CG 3.87Å; W795-E797 HydrophobicContact CH2-CB 3.91Å; W795-E797 HydrophobicContact CH2-CG 3.56Å; W795-E797 HydrophobicContact CZ2-CB 3.69Å; W795-E797 HydrophobicContact CZ2-CG 3.87Å; W795-E797 HydrophobicContact CZ3-CB 4.33Å; W795-E797 HydrophobicContact CZ3-CG 3.57Å; W795-K800 HydrophobicContact CH2-CB 4.01Å; W795-K800 HydrophobicContact CZ2-CB 4.06Å; W795-L802 HydrophobicContact CE3-CD2 4.39Å; W795-L802 HydrophobicContact CH2-CB 3.68Å; W795-L802 HydrophobicContact CZ2-CB 4.48Å; W795-L802 HydrophobicContact CZ3-CB 3.79Å; W795-L802 HydrophobicContact CZ3-CD2 4.06Å; W795-L802 HydrophobicContact CZ3-CG 4.39Å; W795-L878 HydrophobicContact CB-CD1 4.05Å; W795-L878 HydrophobicContact CD2-CB 4.33Å; W795-L878 HydrophobicContact CD2-CD1 4.06Å; W795-L878 HydrophobicContact CE3-CD1 4.33Å; W795-L878 HydrophobicContact CG-CD1 3.96Å; W795-L878 HydrophobicContact CZ2-CB 4.38Å; W795-R879 PolarHBondContact NE1-O 3.37Å; W795-A880 HydrophobicContact CZ2-CB 3.99Å; W795-D889 VanDerWaalsContact CD1-O 3.24Å; W795-M890 WeakPolarHBondContact O-CA 3.23Å; W795-G891 PolarHBondContact N-O 2.71Å; W795-G891 PolarHBondContact O-N 2.97Å |
| 796 | A | 97.9 | Very high | 98.5 | Very high | 45 Ų | 45 | 27.5 Ų | 27.5 | 37% | 0.372 | 14% | 0.141 | S | C | . | . | trans | -139.1 | 29.5 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | K771 S772 | K771-A796 HydrophobicContact CB-CB 3.98Å; S772-A796 PolarHBondContact OG-N 3.33Å | ||
| 797 | E | 97.9 | Very high | 98.5 | Very high | 26 Ų | 26 | 27.5 Ų | 27.5 | 12% | 0.121 | 14% | 0.143 | C | C | . | . | trans | -78.6 | 171.5 | 179.4 | -63.3 | -52.9 | 123.4 | 0 | 0 | 112.9 | I719 S769 S772 W795 K800 A880 K882 M890 | I719-E797 HydrophobicContact CD1-CG 4.39Å; S769-E797 WeakPolarHBondContact CB-OE1 3.46Å; S769-E797 PolarHBondContact OG-OE1 2.98Å; S772-E797 WeakPolarHBondContact CB-OE1 3.21Å; S772-E797 PolarHBondContact OG-OE1 2.87Å; W795-E797 HydrophobicContact CD2-CB 4.32Å; W795-E797 HydrophobicContact CD2-CG 4.15Å; W795-E797 HydrophobicContact CE3-CG 3.87Å; W795-E797 HydrophobicContact CH2-CB 3.91Å; W795-E797 HydrophobicContact CH2-CG 3.56Å; W795-E797 HydrophobicContact CZ2-CB 3.69Å; W795-E797 HydrophobicContact CZ2-CG 3.87Å; W795-E797 HydrophobicContact CZ3-CB 4.33Å; W795-E797 HydrophobicContact CZ3-CG 3.57Å; E797-K800 HydrophobicContact CB-CB 3.81Å; E797-K800 HydrophobicContact CB-CG 3.85Å; E797-K800 HydrophobicContact CG-CB 4.25Å; E797-K800 HydrophobicContact CG-CG 4.23Å; E797-A880 HydrophobicContact CB-CB 4.18Å; E797-K882 PolarHBondContact O-NZ 2.67Å; E797-M890 WeakPolarHBondContact O-CE 3.27Å | ||
| 798 | S | 97.4 | Very high | 98.5 | Very high | 58 Ų | 58 | 27.4 Ų | 27.4 | 41% | 0.406 | 14% | 0.143 | S | C | . | . | S | Bend | trans | -136.1 | 128.2 | 170.6 | -169.4 | 0 | 0 | 0 | 0 | 109.8 | K800 K882 | S798-K800 VanDerWaalsContact C-N 3.31Å; S798-K800 PolarHBondContact O-N 3.46Å; S798-K882 WeakPolarHBondContact OG-CE 3.47Å |
| 799 | H | 97.8 | Very high | 98.4 | Very high | 51 Ų | 51 | 30.9 Ų | 30.9 | 24% | 0.236 | 16% | 0.155 | C | C | . | . | S | Bend | trans | 53.3 | 51.6 | 179.1 | -61.3 | 112.6 | 0 | 0 | 0 | 111.3 | D722 V723 D728 A880 K882 | D722-H799 PolarHBondContact N-O 2.89Å; D722-H799 WeakPolarHBondContact O-CA 3.35Å; D722-H799 VanDerWaalsContact O-CB 3.24Å; D722-H799 WeakPolarHBondContact O-CB 3.18Å; D722-H799 PolarHBondContact O-CD2 3.01Å; V723-H799 HydrophobicContact CG2-CB 3.87Å; D728-H799 IonicContact OD1-CD2 2.63Å; D728-H799 PolarHBondContact OD1-CD2 3.26Å; D728-H799 IonicContact OD1-NE2 3.2Å; D728-H799 IonicContact OD2-CD2 3.32Å; D728-H799 IonicContact OD2-CE1 3.08Å; D728-H799 IonicContact OD2-NE2 3.91Å; D728-H799 PolarHBondContact OD2-NE2 3.18Å; H799-A880 PolarHBondContact N-O 2.84Å; H799-K882 VanDerWaalsContact CE1-CG 3.42Å; H799-K882 WeakPolarHBondContact CE1-CG 3.45Å |
| 800 | K | 98.2 | Very high | 98.4 | Very high | 45 Ų | 45 | 31.1 Ų | 31.1 | 20% | 0.196 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 148.5 | 178.6 | -65.3 | -70.6 | 161.9 | -91.9 | 0 | 110 | I719 F720 D721 W795 E797 S798 R879 A880 | I719-K800 HydrophobicContact CD1-CB 3.87Å; I719-K800 HydrophobicContact CD1-CD 3.78Å; I719-K800 HydrophobicContact CD1-CG 3.9Å; I719-K800 HydrophobicContact CG1-CB 4.01Å; I719-K800 HydrophobicContact CG1-CD 3.92Å; I719-K800 HydrophobicContact CG1-CG 4.32Å; F720-K800 CarbonylContact O-C 3.59Å; F720-K800 VanDerWaalsContact O-CA 3.3Å; F720-K800 WeakPolarHBondContact O-CA 3.48Å; D721-K800 VanDerWaalsContact OD1-CE 3.23Å; D721-K800 WeakPolarHBondContact OD1-CE 3.25Å; D721-K800 IonicContact OD1-NZ 3.42Å; D721-K800 PolarHBondContact OD1-NZ 3.19Å; W795-K800 HydrophobicContact CH2-CB 4.01Å; W795-K800 HydrophobicContact CZ2-CB 4.06Å; E797-K800 HydrophobicContact CB-CB 3.81Å; E797-K800 HydrophobicContact CB-CG 3.85Å; E797-K800 HydrophobicContact CG-CB 4.25Å; E797-K800 HydrophobicContact CG-CG 4.23Å; S798-K800 VanDerWaalsContact C-N 3.31Å; S798-K800 PolarHBondContact O-N 3.46Å; K800-R879 CarbonylContact O-C 3.53Å; K800-R879 WeakPolarHBondContact O-CA 3.18Å; K800-A880 PolarHBondContact O-N 3.48Å |
| 801 | F | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 111.9 | 177.1 | -163.7 | 165 | 0 | 0 | 0 | 109.2 | T524 I719 F720 D722 V732 K803 S876 L878 R879 | T524-F801 HydrophobicContact CG2-CE2 3.79Å; T524-F801 HydrophobicContact CG2-CZ 4.25Å; I719-F801 WeakPolarHBondContact CA-O 3.13Å; F720-F801 HydrophobicContact CB-CB 4.3Å; F720-F801 PolarHBondContact N-O 3.32Å; F720-F801 PolarHBondContact O-N 3.47Å; D722-F801 HydrophobicContact CB-CB 4.01Å; V732-F801 HydrophobicContact CB-CE1 4.43Å; V732-F801 HydrophobicContact CG2-CD1 4.04Å; V732-F801 HydrophobicContact CG2-CE1 3.97Å; F801-K803 HydrophobicContact CD2-CG 3.92Å; F801-K803 HydrophobicContact CE2-CD 4.32Å; F801-K803 HydrophobicContact CE2-CG 3.97Å; F801-K803 HydrophobicContact CZ-CD 4.5Å; F801-S876 WeakPolarHBondContact CZ-OG 3.22Å; F801-L878 CarbonylContact C-O 3.34Å; F801-L878 WeakPolarHBondContact CA-O 3.14Å; F801-L878 VanDerWaalsContact CD2-O 3.31Å; F801-L878 WeakPolarHBondContact CD2-O 3.12Å; F801-R879 HydrophobicContact CB-CG 4.48Å; F801-R879 HydrophobicContact CD1-CG 4.04Å; F801-R879 HydrophobicContact CD2-CG 3.71Å; F801-R879 HydrophobicContact CE1-CG 4.09Å; F801-R879 HydrophobicContact CE2-CG 3.78Å; F801-R879 HydrophobicContact CG-CG 3.84Å; F801-R879 HydrophobicContact CZ-CG 3.95Å |
| 802 | L | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 127.7 | 174.3 | -178.5 | 66.5 | 0 | 0 | 0 | 110.4 | F717 I743 I768 V793 W795 L877 L878 | F717-L802 HydrophobicContact CD1-CD1 4.31Å; I743-L802 HydrophobicContact CD1-CD1 3.72Å; I768-L802 HydrophobicContact CD1-CD1 4.45Å; I768-L802 HydrophobicContact CD1-CD2 4.15Å; V793-L802 HydrophobicContact CG1-CD2 4.15Å; V793-L802 HydrophobicContact CG2-CD2 4.23Å; W795-L802 HydrophobicContact CE3-CD2 4.39Å; W795-L802 HydrophobicContact CH2-CB 3.68Å; W795-L802 HydrophobicContact CZ2-CB 4.48Å; W795-L802 HydrophobicContact CZ3-CB 3.79Å; W795-L802 HydrophobicContact CZ3-CD2 4.06Å; W795-L802 HydrophobicContact CZ3-CG 4.39Å; L802-L877 HydrophobicContact CD2-CB 4.39Å; L802-L877 HydrophobicContact CD2-CD1 4.39Å; L802-L877 HydrophobicContact CG-CB 4.25Å; L802-L877 HydrophobicContact CG-CD1 4.26Å; L802-L877 WeakPolarHBondContact O-CA 3.26Å; L802-L877 WeakPolarHBondContact O-CB 3.3Å; L802-L877 PolarHBondContact O-N 3.44Å; L802-L878 HydrophobicContact CB-CB 4.32Å; L802-L878 HydrophobicContact CD2-CD1 4.38Å; L802-L878 PolarHBondContact N-O 3.04Å; L802-L878 PolarHBondContact O-N 3.07Å |
| 803 | K | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 38.2 Ų | 38.2 | 0% | 0.004 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 165 | 172.7 | -49.3 | -165 | 179.1 | -174.9 | 0 | 111.1 | V718 F720 H736 F801 E840 T874 L875 S876 | V718-K803 HydrophobicContact CG2-CB 3.92Å; V718-K803 WeakPolarHBondContact CG2-O 3.47Å; V718-K803 PolarHBondContact N-O 3.45Å; V718-K803 PolarHBondContact O-N 3.3Å; F720-K803 HydrophobicContact CD2-CD 4.29Å; F720-K803 HydrophobicContact CD2-CG 4.14Å; F720-K803 HydrophobicContact CE2-CB 4.14Å; F720-K803 HydrophobicContact CE2-CD 3.87Å; F720-K803 HydrophobicContact CE2-CG 3.91Å; H736-K803 PolarHBondContact NE2-NZ 2.96Å; F801-K803 HydrophobicContact CD2-CG 3.92Å; F801-K803 HydrophobicContact CE2-CD 4.32Å; F801-K803 HydrophobicContact CE2-CG 3.97Å; F801-K803 HydrophobicContact CZ-CD 4.5Å; K803-E840 IonicContact NZ-OE2 2.68Å; K803-E840 PolarHBondContact NZ-OE2 3.01Å; K803-T874 HydrophobicContact CB-CG2 3.68Å; K803-T874 HydrophobicContact CD-CG2 3.7Å; K803-T874 HydrophobicContact CG-CG2 4.3Å; K803-L875 WeakPolarHBondContact CA-O 3.45Å; K803-L875 WeakPolarHBondContact CB-O 3.37Å; K803-S876 VanDerWaalsContact CE-OG 3.3Å; K803-S876 WeakPolarHBondContact CE-OG 3.2Å |
| 804 | V | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 136 | 169.7 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | Q716 F717 F806 T874 L875 L877 Y897 | Q716-V804 WeakPolarHBondContact O-CA 3.33Å; F717-V804 HydrophobicContact CD1-CB 4.26Å; F717-V804 HydrophobicContact CE1-CB 4.36Å; V804-F806 HydrophobicContact CG1-CE2 4.19Å; V804-F806 HydrophobicContact CG2-CD2 4.49Å; V804-F806 HydrophobicContact CG2-CE2 3.81Å; V804-F806 HydrophobicContact CG2-CZ 4.28Å; V804-T874 VanDerWaalsContact O-CA 3.31Å; V804-T874 WeakPolarHBondContact O-CA 3.39Å; V804-L875 HydrophobicContact CG1-CB 3.92Å; V804-L875 PolarHBondContact N-O 2.82Å; V804-L875 PolarHBondContact O-N 2.7Å; V804-L877 HydrophobicContact CB-CD1 3.98Å; V804-L877 HydrophobicContact CG1-CD1 4Å; V804-L877 HydrophobicContact CG1-CD2 3.98Å; V804-L877 HydrophobicContact CG1-CG 4.17Å; V804-Y897 HydrophobicContact CG1-CE1 4.21Å; V804-Y897 HydrophobicContact CG1-CE2 4.13Å; V804-Y897 HydrophobicContact CG2-CE2 4.33Å |
| 805 | E | 98.9 | Very high | 98.2 | Very high | 17 Ų | 17 | 35.5 Ų | 35.5 | 8% | 0.079 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 142.2 | -175.5 | -65.2 | 178.8 | 171.9 | 0 | 0 | 112.8 | N715 Q716 V718 R740 T872 M873 T874 | N715-E805 PolarHBondContact N-O 3.33Å; N715-E805 VanDerWaalsContact N-O 3.08Å; Q716-E805 PolarHBondContact N-O 3.45Å; Q716-E805 VanDerWaalsContact N-O 3.11Å; Q716-E805 PolarHBondContact O-N 3.34Å; V718-E805 HydrophobicContact CG1-CG 4.39Å; V718-E805 HydrophobicContact CG2-CG 3.91Å; R740-E805 IonicContact CZ-OE1 2.94Å; R740-E805 IonicContact CZ-OE2 2.82Å; R740-E805 VanDerWaalsContact CZ-OE2 3.26Å; R740-E805 IonicContact NE-OE1 2.68Å; R740-E805 PolarHBondContact NE-OE1 2.88Å; R740-E805 IonicContact NE-OE2 3.43Å; R740-E805 PolarHBondContact NE-OE2 3.43Å; R740-E805 IonicContact NH2-OE1 2.8Å; R740-E805 IonicContact NH2-OE2 3.71Å; R740-E805 PolarHBondContact NH2-OE2 2.88Å; E805-T872 HydrophobicContact CB-CG2 4.08Å; E805-T872 HydrophobicContact CG-CG2 4.24Å; E805-M873 CarbonylContact C-O 3.5Å; E805-T874 HydrophobicContact CG-CG2 4.06Å |
| 806 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 93 | 173.5 | -66.1 | -91.8 | 0 | 0 | 0 | 109.9 | L695 N715 F789 V804 V808 L858 M873 Y897 I899 | L695-F806 HydrophobicContact CD1-CE1 4.18Å; N715-F806 HydrophobicContact CB-CE1 3.85Å; N715-F806 HydrophobicContact CB-CZ 3.96Å; F789-F806 HydrophobicContact CE2-CE1 4.31Å; F789-F806 HydrophobicContact CE2-CZ 4.06Å; F789-F806 HydrophobicContact CZ-CE1 4.2Å; F789-F806 HydrophobicContact CZ-CZ 4.25Å; V804-F806 HydrophobicContact CG1-CE2 4.19Å; V804-F806 HydrophobicContact CG2-CD2 4.49Å; V804-F806 HydrophobicContact CG2-CE2 3.81Å; V804-F806 HydrophobicContact CG2-CZ 4.28Å; F806-V808 HydrophobicContact CB-CG1 4.27Å; F806-V808 PolarHBondContact O-N 3.21Å; F806-L858 HydrophobicContact CD2-CD1 4.07Å; F806-L858 HydrophobicContact CD2-CD2 4.27Å; F806-L858 HydrophobicContact CE2-CD1 3.82Å; F806-M873 HydrophobicContact CB-CB 4.36Å; F806-M873 PolarHBondContact N-O 2.62Å; F806-M873 PolarHBondContact O-N 2.99Å; F806-Y897 HydrophobicContact CE2-CD2 4.29Å; F806-Y897 AromaticContact CE2-CE2 3.97Å; F806-Y897 HydrophobicContact CE2-CE2 3.97Å; F806-Y897 HydrophobicContact CZ-CD2 4.25Å; F806-Y897 AromaticContact CZ-CE2 3.76Å; F806-Y897 HydrophobicContact CZ-CE2 3.76Å; F806-I899 HydrophobicContact CB-CD1 4.27Å; F806-I899 HydrophobicContact CD1-CB 4.42Å; F806-I899 HydrophobicContact CD1-CD1 3.9Å; F806-I899 HydrophobicContact CD1-CG1 4.02Å; F806-I899 HydrophobicContact CD2-CD1 4.38Å; F806-I899 HydrophobicContact CE1-CB 4.08Å; F806-I899 HydrophobicContact CE1-CD1 4.31Å; F806-I899 HydrophobicContact CE1-CG1 4.19Å; F806-I899 HydrophobicContact CE1-CG2 4.24Å; F806-I899 HydrophobicContact CG-CD1 3.93Å |
| 807 | P | 98.6 | Very high | 98.2 | Very high | 17 Ų | 17 | 33.8 Ų | 33.8 | 11% | 0.11 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 104 | 170.1 | -16 | 31.7 | 0 | 0 | 0 | 109.9 | S709 S713 T872 | S709-P807 PolarHBondContact N-O 3.49Å; S709-P807 PolarHBondContact OG-O 3.42Å; S713-P807 VanDerWaalsContact O-CD 3.25Å; S713-P807 WeakPolarHBondContact O-CD 3.17Å; P807-T872 HydrophobicContact CG-CG2 4.46Å |
| 808 | V | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | B | Isolated β-bridge | trans | -101.8 | 155.3 | -173.6 | -62.1 | 0 | 0 | 0 | 0 | 112.7 | A707 S709 F806 V810 L849 V856 N871 M873 | A707-V808 CarbonylContact O-C 3.57Å; A707-V808 WeakPolarHBondContact O-CA 3.2Å; A707-V808 WeakPolarHBondContact O-CB 3.42Å; S709-V808 PolarHBondContact OG-O 3.02Å; F806-V808 HydrophobicContact CB-CG1 4.27Å; F806-V808 PolarHBondContact O-N 3.21Å; V808-V810 HydrophobicContact CG2-CB 4.12Å; V808-V810 HydrophobicContact CG2-CG2 4.24Å; V808-V810 PolarHBondContact O-N 3.02Å; V808-V810 VanDerWaalsContact O-N 3.08Å; V808-L849 HydrophobicContact CG2-CD2 3.78Å; V808-V856 HydrophobicContact CB-CB 4.3Å; V808-V856 HydrophobicContact CB-CG2 4.02Å; V808-V856 HydrophobicContact CG1-CB 3.92Å; V808-V856 HydrophobicContact CG1-CG1 3.8Å; V808-V856 HydrophobicContact CG1-CG2 3.96Å; V808-V856 HydrophobicContact CG2-CB 4.5Å; V808-N871 VanDerWaalsContact CG2-O 3.27Å; V808-N871 WeakPolarHBondContact CG2-O 3.48Å; V808-N871 PolarHBondContact N-O 3.12Å; V808-N871 WeakPolarHBondContact O-CB 3.36Å; V808-N871 PolarHBondContact O-ND2 3.5Å; V808-M873 HydrophobicContact CG1-SD 4.19Å; V808-M873 HydrophobicContact CG2-CG 4.19Å; V808-M873 HydrophobicContact CG2-SD 4.14Å |
| 809 | R | 97.3 | Very high | 98.3 | Very high | 104 Ų | 104 | 30.1 Ų | 30.1 | 39% | 0.392 | 14% | 0.139 | S | C | . | . | S | Bend | trans | -86.7 | 53.4 | 178.4 | -162.7 | -177.2 | -179.9 | 174.6 | 4.9 | 111.3 | A707 | A707-R809 PolarHBondContact O-N 3.42Š|
| 810 | V | 97.6 | Very high | 98.4 | Very high | 5 Ų | 5 | 27.8 Ų | 27.8 | 3% | 0.03 | 13% | 0.129 | C | C | . | . | trans | -129.9 | 139.6 | 177.7 | -177.6 | 0 | 0 | 0 | 0 | 109 | V808 L849 E851 F854 V856 N871 | V808-V810 HydrophobicContact CG2-CB 4.12Å; V808-V810 HydrophobicContact CG2-CG2 4.24Å; V808-V810 PolarHBondContact O-N 3.02Å; V808-V810 VanDerWaalsContact O-N 3.08Å; V810-L849 HydrophobicContact CB-CD2 4.17Å; V810-L849 HydrophobicContact CB-CG 4.17Å; V810-L849 HydrophobicContact CG1-CD2 4.4Å; V810-L849 HydrophobicContact CG1-CG 3.91Å; V810-L849 WeakPolarHBondContact CG1-O 3.34Å; V810-E851 HydrophobicContact CG1-CB 4.14Å; V810-E851 HydrophobicContact CG1-CG 4.21Å; V810-F854 HydrophobicContact CG2-CD1 3.83Å; V810-F854 HydrophobicContact CG2-CE1 3.96Å; V810-V856 HydrophobicContact CG2-CG2 4Å; V810-N871 VanDerWaalsContact O-CB 3.31Å; V810-N871 WeakPolarHBondContact O-CB 3.25Å | ||
| 811 | R | 96.8 | Very high | 98.4 | Very high | 223 Ų | 223 | 26 Ų | 26 | 84% | 0.842 | 12% | 0.121 | S | C | * | . | trans | -125.2 | 109.1 | 175.9 | -174.2 | 176.7 | -179.3 | 175.6 | -0.3 | 110.3 | ||||
| 812 | S | 97.8 | Very high | 98.3 | Very high | 24 Ų | 24 | 26.2 Ų | 26.2 | 17% | 0.168 | 12% | 0.123 | C | C | . | . | trans | -138.3 | 143.3 | 173.4 | 175.3 | 0 | 0 | 0 | 0 | 110.1 | N814 T828 S850 | S812-N814 WeakPolarHBondContact CB-O 3.26Å; S812-N814 PolarHBondContact O-N 3.36Å; S812-N814 PolarHBondContact OG-N 2.99Å; S812-N814 PolarHBondContact OG-O 3.24Å; S812-T828 PolarHBondContact O-OG1 3.2Å; S812-S850 VanDerWaalsContact CB-O 3.31Å; S812-S850 WeakPolarHBondContact CB-O 3.32Å | ||
| 813 | P | 97.7 | Very high | 98.3 | Very high | 78 Ų | 78 | 27 Ų | 27 | 51% | 0.506 | 13% | 0.127 | S | C | . | . | S | Bend | trans | -69 | -16.2 | 173.6 | 30.4 | -36.1 | 0 | 0 | 0 | 113.2 | P827 T828 | P813-P827 WeakPolarHBondContact O-CA 3.48Å; P813-T828 VanDerWaalsContact C-OG1 3.29Å; P813-T828 PolarHBondContact O-N 2.74Å; P813-T828 PolarHBondContact O-OG1 2.85Å |
| 814 | N | 98.3 | Very high | 98.3 | Very high | 47 Ų | 47 | 28 Ų | 28 | 25% | 0.251 | 13% | 0.132 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 152 | -179.4 | -60.4 | -54.4 | 0 | 0 | 0 | 111.5 | S812 Q825 R826 P827 | S812-N814 WeakPolarHBondContact CB-O 3.26Å; S812-N814 PolarHBondContact O-N 3.36Å; S812-N814 PolarHBondContact OG-N 2.99Å; S812-N814 PolarHBondContact OG-O 3.24Å; N814-Q825 HydrophobicContact CB-CB 4.09Å; N814-Q825 HydrophobicContact CB-CG 4.46Å; N814-R826 CarbonylContact C-O 3.59Å; N814-R826 VanDerWaalsContact CA-O 3.28Å; N814-R826 WeakPolarHBondContact CA-O 3.22Å; N814-P827 WeakPolarHBondContact OD1-CA 3.37Å |
| 815 | A | 98.6 | Very high | 98.3 | Very high | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 147.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | Y817 Q825 R826 T828 D848 L849 I868 | A815-Y817 HydrophobicContact CB-CE2 3.69Å; A815-Y817 WeakPolarHBondContact O-CD2 3.44Å; A815-Y817 WeakPolarHBondContact O-CE2 3.36Å; A815-Q825 CarbonylContact O-C 3.35Å; A815-Q825 VanDerWaalsContact O-CA 3.27Å; A815-Q825 WeakPolarHBondContact O-CA 3.35Å; A815-R826 PolarHBondContact N-O 3.2Å; A815-R826 PolarHBondContact O-N 3.43Å; A815-T828 HydrophobicContact CB-CG2 3.9Å; A815-D848 CarbonylContact C-O 3.59Å; A815-D848 WeakPolarHBondContact CA-O 3.46Å; A815-L849 HydrophobicContact CB-CD1 4.15Å; A815-I868 HydrophobicContact CB-CB 4.03Å; A815-I868 HydrophobicContact CB-CD1 3.66Å; A815-I868 HydrophobicContact CB-CG1 4.38Å; A815-I868 HydrophobicContact CB-CG2 4.01Å |
| 816 | T | 98.8 | Very high | 98.2 | Very high | 9 Ų | 9 | 33.1 Ų | 33.1 | 6% | 0.055 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 134.5 | -178.8 | -51.9 | 0 | 0 | 0 | 0 | 109.5 | H823 L824 W846 A847 D848 F906 | T816-H823 HydrophobicContact CG2-CB 3.88Å; T816-L824 WeakPolarHBondContact CA-O 3.49Å; T816-W846 HydrophobicContact CG2-CH2 3.8Å; T816-W846 HydrophobicContact CG2-CZ3 3.97Å; T816-A847 CarbonylContact O-C 3.49Å; T816-A847 WeakPolarHBondContact O-CA 3.47Å; T816-D848 PolarHBondContact N-O 2.83Å; T816-D848 PolarHBondContact O-N 2.79Å; T816-F906 HydrophobicContact CG2-CE1 3.94Å; T816-F906 HydrophobicContact CG2-CZ 4Å |
| 817 | Y | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 34.6 Ų | 34.6 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 135.7 | -177.4 | -59.7 | -97.8 | 0 | 0 | 0 | 110.3 | A815 I819 H823 L824 R826 V841 A847 Y866 I868 | A815-Y817 HydrophobicContact CB-CE2 3.69Å; A815-Y817 WeakPolarHBondContact O-CD2 3.44Å; A815-Y817 WeakPolarHBondContact O-CE2 3.36Å; Y817-I819 PolarHBondContact O-N 2.87Å; Y817-H823 WeakPolarHBondContact O-CA 3.45Å; Y817-H823 WeakPolarHBondContact O-CB 3.42Å; Y817-L824 PolarHBondContact N-O 3.35Å; Y817-L824 PolarHBondContact O-N 2.99Å; Y817-L824 VanDerWaalsContact O-N 3.14Å; Y817-R826 HydrophobicContact CD2-CB 4.23Å; Y817-R826 HydrophobicContact CD2-CG 4Å; Y817-R826 HydrophobicContact CE2-CB 3.79Å; Y817-R826 HydrophobicContact CE2-CG 4.04Å; Y817-R826 VanDerWaalsContact CG-NH1 3.29Å; Y817-V841 HydrophobicContact CD1-CG2 4.36Å; Y817-V841 HydrophobicContact CE1-CG2 3.79Å; Y817-V841 HydrophobicContact CE2-CG2 4.47Å; Y817-A847 HydrophobicContact CD1-CB 3.48Å; Y817-A847 VanDerWaalsContact CD1-CB 3.48Å; Y817-A847 HydrophobicContact CE1-CB 3.61Å; Y817-A847 HydrophobicContact CG-CB 4.36Å; Y817-Y866 HydrophobicContact CD1-CG 4.39Å; Y817-Y866 HydrophobicContact CE1-CG 4.19Å; Y817-I868 HydrophobicContact CE1-CD1 3.98Å; Y817-I868 HydrophobicContact CE1-CG1 4.28Å; Y817-I868 VanDerWaalsContact OH-CB 3.29Å; Y817-I868 WeakPolarHBondContact OH-CB 3.47Å; Y817-I868 VanDerWaalsContact OH-CG1 3.29Å; Y817-I868 WeakPolarHBondContact OH-CG1 3.42Å |
| 818 | E | 98.8 | Very high | 98.2 | Very high | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.023 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 134.4 | 169.8 | -159.9 | -162.4 | -164 | 0 | 0 | 110.1 | H844 K845 W846 | E818-H844 HydrophobicContact CB-CB 4.23Å; E818-H844 HydrophobicContact CG-CB 4.37Å; E818-H844 PolarHBondContact O-N 3.03Å; E818-H844 WeakPolarHBondContact OE2-CB 3.26Å; E818-H844 IonicContact OE2-CG 3.55Å; E818-H844 IonicContact OE2-ND1 2.66Å; E818-K845 IonicContact OE1-NZ 3.42Å; E818-K845 PolarHBondContact OE1-NZ 3.48Å; E818-K845 VanDerWaalsContact OE2-CA 3.31Å; E818-K845 WeakPolarHBondContact OE2-CA 3.25Å; E818-K845 WeakPolarHBondContact OE2-CB 3.17Å; E818-K845 WeakPolarHBondContact OE2-CG 3.35Å; E818-K845 PolarHBondContact OE2-N 3.46Å; E818-K845 IonicContact OE2-NZ 3.57Å; E818-K845 PolarHBondContact OE2-NZ 2.91Å; E818-W846 HydrophobicContact CB-CD2 3.99Å; E818-W846 HydrophobicContact CB-CG 3.97Å; E818-W846 HydrophobicContact CB-CZ2 4.21Å; E818-W846 PolarHBondContact N-O 3.49Å |
| 819 | I | 98.6 | Very high | 98.1 | Very high | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | -177.1 | 166.3 | 66.5 | 156.7 | 0 | 0 | 0 | 109 | A378 L415 Y817 F821 G822 L824 W842 | A378-I819 HydrophobicContact CB-CD1 3.73Å; L415-I819 HydrophobicContact CD1-CD1 3.81Å; L415-I819 HydrophobicContact CD1-CG1 4.14Å; L415-I819 HydrophobicContact CG-CD1 4.27Å; Y817-I819 PolarHBondContact O-N 2.87Å; I819-F821 PolarHBondContact O-N 2.95Å; I819-G822 CarbonylContact C-O 3.56Å; I819-G822 PolarHBondContact N-O 3.46Å; I819-G822 PolarHBondContact O-N 2.83Å; I819-L824 HydrophobicContact CD1-CD2 4.09Å; I819-L824 HydrophobicContact CG2-CD2 4.37Å; I819-L824 HydrophobicContact CG2-CG 4.28Å; I819-W842 HydrophobicContact CB-CH2 3.5Å; I819-W842 HydrophobicContact CB-CZ2 4.19Å; I819-W842 HydrophobicContact CB-CZ3 4.12Å; I819-W842 HydrophobicContact CG2-CH2 3.34Å; I819-W842 HydrophobicContact CG2-CZ2 3.66Å; I819-W842 HydrophobicContact CG2-CZ3 3.87Å |
| 820 | Q | 98.5 | Very high | 98 | Very high | 3 Ų | 3 | 37 Ų | 37 | 1% | 0.014 | 18% | 0.175 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 125.8 | 179.2 | -65 | 77.4 | 16.2 | 0 | 0 | 110.8 | N339 P341 G343 M346 S377 Q379 G822 W842 | N339-Q820 PolarHBondContact O-NE2 3.28Å; P341-Q820 WeakPolarHBondContact O-CG 3.49Å; P341-Q820 PolarHBondContact O-NE2 3.38Å; G343-Q820 VanDerWaalsContact N-CG 3.32Å; M346-Q820 VanDerWaalsContact CE-CD 3.48Å; M346-Q820 HydrophobicContact CE-CG 3.87Å; M346-Q820 HydrophobicContact SD-CB 4.35Å; M346-Q820 HydrophobicContact SD-CG 3.76Å; S377-Q820 PolarHBondContact OG-OE1 3.28Å; Q379-Q820 HydrophobicContact CB-CB 4.36Å; Q379-Q820 WeakPolarHBondContact CB-O 3.15Å; Q379-Q820 VanDerWaalsContact CG-O 3.23Å; Q379-Q820 WeakPolarHBondContact CG-O 3.38Å; Q820-G822 PolarHBondContact O-N 3.35Å; Q820-G822 VanDerWaalsContact O-N 3.09Å; Q820-W842 VanDerWaalsContact OE1-CH2 3.28Å |
| 821 | F | 98.5 | Very high | 98 | Very high | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 27.7 | 179.5 | -52.3 | -67.8 | 0 | 0 | 0 | 115.6 | G343 V347 Q379 I383 I819 E947 Y964 I1015 | G343-F821 VanDerWaalsContact O-CE2 3.27Å; G343-F821 WeakPolarHBondContact O-CE2 3.44Å; V347-F821 HydrophobicContact CG2-CE2 4.06Å; V347-F821 HydrophobicContact CG2-CZ 4.25Å; Q379-F821 HydrophobicContact CG-CB 4.09Å; Q379-F821 HydrophobicContact CG-CD2 4.31Å; I383-F821 HydrophobicContact CD1-CD2 4.03Å; I383-F821 HydrophobicContact CD1-CE2 4.06Å; I383-F821 HydrophobicContact CG1-CD2 4.39Å; I383-F821 HydrophobicContact CG1-CE2 4.4Å; I819-F821 PolarHBondContact O-N 2.95Å; F821-E947 HydrophobicContact CE1-CB 4.27Å; F821-E947 HydrophobicContact CE1-CG 3.87Å; F821-Y964 HydrophobicContact CB-CD2 3.82Å; F821-Y964 HydrophobicContact CB-CE2 4.34Å; F821-Y964 HydrophobicContact CB-CG 3.95Å; F821-Y964 AromaticContact CD1-CD1 3.54Å; F821-Y964 HydrophobicContact CD1-CD1 3.54Å; F821-Y964 HydrophobicContact CD1-CD2 4.29Å; F821-Y964 AromaticContact CD1-CE1 3.99Å; F821-Y964 HydrophobicContact CD1-CE1 3.99Å; F821-Y964 AromaticContact CD1-CG 3.69Å; F821-Y964 HydrophobicContact CD1-CG 3.69Å; F821-Y964 HydrophobicContact CE1-CD1 4.23Å; F821-Y964 HydrophobicContact CG-CG 4.3Å; F821-Y964 VanDerWaalsContact O-CD2 3.24Å; F821-Y964 WeakPolarHBondContact O-CD2 3.4Å; F821-I1015 HydrophobicContact CB-CD1 4.02Å; F821-I1015 HydrophobicContact CB-CG1 4.01Å; F821-I1015 HydrophobicContact CD1-CG1 4.43Å; F821-I1015 HydrophobicContact CD2-CD1 3.31Å; F821-I1015 HydrophobicContact CD2-CG1 4.05Å; F821-I1015 HydrophobicContact CE2-CD1 3.76Å; F821-I1015 HydrophobicContact CG-CD1 3.73Å; F821-I1015 HydrophobicContact CG-CG1 3.95Å |
| 822 | G | 98.1 | Very high | 98 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 5% | 0.052 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 172.5 | -157.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I819 Q820 | I819-G822 CarbonylContact C-O 3.56Å; I819-G822 PolarHBondContact N-O 3.46Å; I819-G822 PolarHBondContact O-N 2.83Å; Q820-G822 PolarHBondContact O-N 3.35Å; Q820-G822 VanDerWaalsContact O-N 3.09Å |
| 823 | H | 98.6 | Very high | 98 | Very high | 17 Ų | 17 | 36.9 Ų | 36.9 | 8% | 0.079 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.4 | 157.2 | 179.7 | 54.3 | 32.2 | 0 | 0 | 0 | 111.3 | T816 Y817 W846 F906 S966 F1013 | T816-H823 HydrophobicContact CG2-CB 3.88Å; Y817-H823 WeakPolarHBondContact O-CA 3.45Å; Y817-H823 WeakPolarHBondContact O-CB 3.42Å; H823-W846 HydrophobicContact CB-CH2 4.02Å; H823-W846 HydrophobicContact CB-CZ2 4.16Å; H823-W846 AromaticContact CD2-CH2 3.76Å; H823-W846 AromaticContact CD2-CZ2 3.89Å; H823-F906 AromaticContact CD2-CE2 3.21Å; H823-F906 WeakPolarHBondContact CD2-CE2 3.42Å; H823-F906 AromaticContact CD2-CZ 3.31Å; H823-F906 WeakPolarHBondContact CD2-CZ 3.44Å; H823-F906 AromaticContact CE1-CZ 3.88Å; H823-F906 AromaticContact NE2-CE2 3.22Å; H823-F906 WeakPolarHBondContact NE2-CE2 3.5Å; H823-F906 AromaticContact NE2-CZ 3.08Å; H823-F906 WeakPolarHBondContact NE2-CZ 3.41Å; H823-S966 PolarHBondContact NE2-O 3.11Å; H823-F1013 AromaticContact CE1-CE1 3.35Å; H823-F1013 WeakPolarHBondContact CE1-CE1 3.31Å; H823-F1013 AromaticContact CE1-CZ 3.22Å; H823-F1013 WeakPolarHBondContact CE1-CZ 3.17Å; H823-F1013 AromaticContact ND1-CE1 3.37Å; H823-F1013 WeakPolarHBondContact ND1-CE1 3.5Å; H823-F1013 AromaticContact ND1-CZ 3.26Å; H823-F1013 VanDerWaalsContact ND1-CZ 3.26Å; H823-F1013 WeakPolarHBondContact ND1-CZ 3.46Å |
| 824 | L | 98.2 | Very high | 97.9 | Very high | 20 Ų | 20 | 36.2 Ų | 36.2 | 11% | 0.105 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 166 | 173.5 | 63.5 | 76.8 | 0 | 0 | 0 | 111.7 | A378 L415 E513 T816 Y817 I819 R826 | A378-L824 HydrophobicContact CB-CD2 3.91Å; L415-L824 HydrophobicContact CD2-CB 4.34Å; E513-L824 HydrophobicContact CB-CD2 3.86Å; E513-L824 HydrophobicContact CG-CD2 3.97Å; T816-L824 WeakPolarHBondContact CA-O 3.49Å; Y817-L824 PolarHBondContact N-O 3.35Å; Y817-L824 PolarHBondContact O-N 2.99Å; Y817-L824 VanDerWaalsContact O-N 3.14Å; I819-L824 HydrophobicContact CD1-CD2 4.09Å; I819-L824 HydrophobicContact CG2-CD2 4.37Å; I819-L824 HydrophobicContact CG2-CG 4.28Å; L824-R826 HydrophobicContact CD1-CG 3.55Å |
| 825 | Q | 98.1 | Very high | 97.8 | Very high | 123 Ų | 123 | 34.9 Ų | 34.9 | 58% | 0.575 | 18% | 0.176 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 136.3 | 178.9 | -72.8 | -173.9 | -16.4 | 0 | 0 | 111.4 | N814 A815 | N814-Q825 HydrophobicContact CB-CB 4.09Å; N814-Q825 HydrophobicContact CB-CG 4.46Å; A815-Q825 CarbonylContact O-C 3.35Å; A815-Q825 VanDerWaalsContact O-CA 3.27Å; A815-Q825 WeakPolarHBondContact O-CA 3.35Å |
| 826 | R | 98.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.011 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 146.4 | 170.3 | -53.3 | -173.3 | -178.1 | 110.4 | -8.5 | 110.7 | E513 N814 A815 Y817 L824 W842 | E513-R826 IonicContact OE1-CZ 3.81Å; E513-R826 IonicContact OE1-NE 3.44Å; E513-R826 PolarHBondContact OE1-NE 3.11Å; E513-R826 IonicContact OE1-NH2 3.58Å; E513-R826 IonicContact OE2-CZ 2.88Å; E513-R826 IonicContact OE2-NE 3.59Å; E513-R826 PolarHBondContact OE2-NE 3.5Å; E513-R826 IonicContact OE2-NH2 3.02Å; E513-R826 PolarHBondContact OE2-NH2 2.9Å; N814-R826 CarbonylContact C-O 3.59Å; N814-R826 VanDerWaalsContact CA-O 3.28Å; N814-R826 WeakPolarHBondContact CA-O 3.22Å; A815-R826 PolarHBondContact N-O 3.2Å; A815-R826 PolarHBondContact O-N 3.43Å; Y817-R826 HydrophobicContact CD2-CB 4.23Å; Y817-R826 HydrophobicContact CD2-CG 4Å; Y817-R826 HydrophobicContact CE2-CB 3.79Å; Y817-R826 HydrophobicContact CE2-CG 4.04Å; Y817-R826 VanDerWaalsContact CG-NH1 3.29Å; L824-R826 HydrophobicContact CD1-CG 3.55Å; R826-W842 PolarHBondContact NH1-O 3.16Å; R826-W842 PolarHBondContact NH2-O 2.89Å |
| 827 | P | 98.3 | Very high | 97.3 | Very high | 30 Ų | 30 | 39.2 Ų | 39.2 | 20% | 0.195 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.7 | 144.1 | -179.6 | -22.8 | 33.9 | 0 | 0 | 0 | 113.1 | P813 N814 H829 D835 | P813-P827 WeakPolarHBondContact O-CA 3.48Å; N814-P827 WeakPolarHBondContact OD1-CA 3.37Å; P827-H829 VanDerWaalsContact C-N 3.34Å; P827-D835 HydrophobicContact CB-CB 4.45Å |
| 828 | T | 98.3 | Very high | 97.1 | Very high | 5 Ų | 5 | 41.2 Ų | 41.2 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -96.8 | 11.9 | 172 | 62.6 | 0 | 0 | 0 | 0 | 112.4 | S812 P813 A815 L849 I868 H869 K870 | S812-T828 PolarHBondContact O-OG1 3.2Å; P813-T828 VanDerWaalsContact C-OG1 3.29Å; P813-T828 PolarHBondContact O-N 2.74Å; P813-T828 PolarHBondContact O-OG1 2.85Å; A815-T828 HydrophobicContact CB-CG2 3.9Å; T828-L849 HydrophobicContact CG2-CD1 3.93Å; T828-I868 HydrophobicContact CG2-CG2 3.99Å; T828-H869 PolarHBondContact O-ND1 3.42Å; T828-K870 PolarHBondContact O-N 3.14Å |
| 829 | H | 97.1 | Very high | 96.9 | Very high | 53 Ų | 53 | 41.7 Ų | 41.7 | 25% | 0.245 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -133.4 | 172 | -178 | 61.7 | 57.6 | 0 | 0 | 0 | 110.3 | P827 N831 D835 | P827-H829 VanDerWaalsContact C-N 3.34Å; H829-N831 PolarHBondContact CE1-ND2 3.44Å; H829-N831 VanDerWaalsContact CE1-ND2 3.29Å; H829-N831 PolarHBondContact ND1-ND2 3.01Å; H829-D835 IonicContact CE1-OD2 3.75Å; H829-D835 PolarHBondContact CE1-OD2 2.97Å; H829-D835 IonicContact ND1-OD2 3.14Å; H829-D835 PolarHBondContact ND1-OD2 2.82Å; H829-D835 WeakPolarHBondContact O-CB 3.47Å |
| 830 | W | 95.6 | Very high | 96.9 | Very high | 115 Ų | 115 | 41.7 Ų | 41.7 | 44% | 0.436 | 20% | 0.202 | S | C | . | . | trans | -122.8 | 64.7 | -178.4 | -57.6 | -35.9 | 0 | 0 | 0 | 111.2 | L737 W836 H869 | L737-W830 HydrophobicContact CD1-CH2 4.16Å; L737-W830 HydrophobicContact CD1-CZ2 4.23Å; W830-W836 HydrophobicContact CB-CB 4.47Å; W830-H869 AromaticContact CD2-CE1 3.64Å; W830-H869 AromaticContact CD2-ND1 3.93Å; W830-H869 AromaticContact CE2-CE1 3.66Å; W830-H869 AromaticContact CE2-ND1 3.48Å; W830-H869 AromaticContact CE3-CE1 3.87Å; W830-H869 AromaticContact CZ2-CE1 3.93Å; W830-H869 AromaticContact CZ2-ND1 3.69Å; W830-H869 AromaticContact NE1-ND1 3.69Å | ||
| 831 | N | 96.8 | Very high | 96.9 | Very high | 130 Ų | 130 | 41.7 Ų | 41.7 | 70% | 0.695 | 20% | 0.202 | S | C | * | . | trans | -84.3 | -36.5 | -175.1 | -74.7 | -14.8 | 0 | 0 | 0 | 112 | H829 D835 | H829-N831 PolarHBondContact CE1-ND2 3.44Å; H829-N831 VanDerWaalsContact CE1-ND2 3.29Å; H829-N831 PolarHBondContact ND1-ND2 3.01Å; N831-D835 WeakPolarHBondContact CB-OD2 3.36Å; N831-D835 PolarHBondContact N-OD2 2.9Å; N831-D835 VanDerWaalsContact N-OD2 3.08Å | ||
| 832 | T | 97.1 | Very high | 96.9 | Very high | 68 Ų | 68 | 41.4 Ų | 41.4 | 42% | 0.417 | 20% | 0.201 | S | C | . | . | S | Bend | trans | -112.8 | 165.2 | 177.4 | 76.1 | 0 | 0 | 0 | 0 | 111.4 | W834 D835 W836 | T832-W834 PolarHBondContact O-N 3.16Å; T832-W834 PolarHBondContact OG1-N 3.15Å; T832-D835 PolarHBondContact N-OD2 2.98Å; T832-D835 WeakPolarHBondContact O-CB 3.48Å; T832-D835 PolarHBondContact O-N 3.5Å; T832-D835 VanDerWaalsContact O-N 3.09Å; T832-D835 PolarHBondContact OG1-N 2.95Å; T832-D835 PolarHBondContact OG1-OD1 3.1Å; T832-D835 PolarHBondContact OG1-OD2 3Å; T832-W836 PolarHBondContact O-N 3.28Å |
| 833 | S | 96.6 | Very high | 96.9 | Very high | 50 Ų | 50 | 41.2 Ų | 41.2 | 35% | 0.35 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.9 | -29.8 | 172 | 51 | 0 | 0 | 0 | 0 | 112.6 | N403 A837 | N403-S833 VanDerWaalsContact ND2-C 3.29Å; N403-S833 PolarHBondContact ND2-O 3.45Å; N403-S833 VanDerWaalsContact ND2-O 3.15Å; N403-S833 WeakPolarHBondContact OD1-CB 3.44Å; N403-S833 PolarHBondContact OD1-OG 3.28Å; S833-A837 PolarHBondContact O-N 3.01Å |
| 834 | W | 95.8 | Very high | 96.8 | Very high | 64 Ų | 64 | 40.6 Ų | 40.6 | 24% | 0.242 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72.5 | -31 | 174.9 | -63.2 | 91.9 | 0 | 0 | 0 | 112.5 | N403 F405 W510 T832 R838 | N403-W834 HydrophobicContact CB-CD2 3.91Å; N403-W834 HydrophobicContact CB-CE3 4.05Å; N403-W834 HydrophobicContact CB-CH2 3.74Å; N403-W834 HydrophobicContact CB-CZ2 3.56Å; N403-W834 HydrophobicContact CB-CZ3 3.98Å; N403-W834 PolarHBondContact ND2-N 3.49Å; F405-W834 HydrophobicContact CD2-CH2 4.37Å; W510-W834 HydrophobicContact CH2-CH2 4.3Å; W510-W834 HydrophobicContact CH2-CZ3 4.27Å; T832-W834 PolarHBondContact O-N 3.16Å; T832-W834 PolarHBondContact OG1-N 3.15Å; W834-R838 PolarHBondContact O-NH1 3.25Å |
| 835 | D | 95.8 | Very high | 96.8 | Very high | 20 Ų | 20 | 40 Ų | 40 | 11% | 0.107 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -74.7 | -41.5 | 175.5 | -53.3 | -13.1 | 0 | 0 | 0 | 110.4 | P827 H829 N831 T832 A837 R838 | P827-D835 HydrophobicContact CB-CB 4.45Å; H829-D835 IonicContact CE1-OD2 3.75Å; H829-D835 PolarHBondContact CE1-OD2 2.97Å; H829-D835 IonicContact ND1-OD2 3.14Å; H829-D835 PolarHBondContact ND1-OD2 2.82Å; H829-D835 WeakPolarHBondContact O-CB 3.47Å; N831-D835 WeakPolarHBondContact CB-OD2 3.36Å; N831-D835 PolarHBondContact N-OD2 2.9Å; N831-D835 VanDerWaalsContact N-OD2 3.08Å; T832-D835 PolarHBondContact N-OD2 2.98Å; T832-D835 WeakPolarHBondContact O-CB 3.48Å; T832-D835 PolarHBondContact O-N 3.5Å; T832-D835 VanDerWaalsContact O-N 3.09Å; T832-D835 PolarHBondContact OG1-N 2.95Å; T832-D835 PolarHBondContact OG1-OD1 3.1Å; T832-D835 PolarHBondContact OG1-OD2 3Å; D835-A837 VanDerWaalsContact C-N 3.31Å; D835-A837 PolarHBondContact O-N 2.93Å; D835-R838 PolarHBondContact O-N 3.09Å; D835-R838 VanDerWaalsContact O-N 3.16Å |
| 836 | W | 92.7 | Very high | 96.9 | Very high | 94 Ų | 94 | 34.3 Ų | 34.3 | 36% | 0.356 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -59.8 | -40.2 | 177.1 | 168.4 | 53.1 | 0 | 0 | 0 | 112.1 | V402 D734 W830 T832 R838 | V402-W836 HydrophobicContact CB-CZ3 4.02Å; V402-W836 HydrophobicContact CG1-CE3 4.12Å; V402-W836 HydrophobicContact CG1-CZ3 3.63Å; V402-W836 HydrophobicContact CG2-CE3 4.07Å; V402-W836 HydrophobicContact CG2-CH2 3.71Å; V402-W836 HydrophobicContact CG2-CZ3 3.25Å; D734-W836 WeakPolarHBondContact OD2-CZ2 3.21Å; D734-W836 PolarHBondContact OD2-NE1 2.87Å; D734-W836 VanDerWaalsContact OD2-NE1 3.08Å; W830-W836 HydrophobicContact CB-CB 4.47Å; T832-W836 PolarHBondContact O-N 3.28Å; W836-R838 PolarHBondContact O-N 3.5Å; W836-R838 VanDerWaalsContact O-N 3.17Å |
| 837 | A | 94.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 34.1 Ų | 34.1 | 5% | 0.05 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -21 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F515 E517 S833 D835 F839 | F515-A837 HydrophobicContact CE1-CB 4.48Å; E517-A837 HydrophobicContact CB-CB 4.19Å; E517-A837 HydrophobicContact CG-CB 3.71Å; S833-A837 PolarHBondContact O-N 3.01Å; D835-A837 VanDerWaalsContact C-N 3.31Å; D835-A837 PolarHBondContact O-N 2.93Å; A837-F839 VanDerWaalsContact C-N 3.3Å; A837-F839 PolarHBondContact O-N 2.95Å |
| 838 | R | 95.3 | Very high | 96.9 | Very high | 46 Ų | 46 | 32.8 Ų | 32.8 | 17% | 0.174 | 16% | 0.156 | C | C | . | . | trans | -92.8 | 43.1 | -179.4 | -66.7 | -177.7 | -178.1 | 99.3 | -7.4 | 112.8 | E513 F515 W834 D835 W836 E840 V841 | E513-R838 IonicContact OE1-NE 3.78Å; F515-R838 HydrophobicContact CD1-CG 3.96Å; F515-R838 HydrophobicContact CD2-CG 4.49Å; F515-R838 HydrophobicContact CE1-CG 3.73Å; F515-R838 HydrophobicContact CE2-CG 4.31Å; F515-R838 HydrophobicContact CG-CG 4.34Å; F515-R838 HydrophobicContact CZ-CG 3.93Å; W834-R838 PolarHBondContact O-NH1 3.25Å; D835-R838 PolarHBondContact O-N 3.09Å; D835-R838 VanDerWaalsContact O-N 3.16Å; W836-R838 PolarHBondContact O-N 3.5Å; W836-R838 VanDerWaalsContact O-N 3.17Å; R838-E840 VanDerWaalsContact C-N 3.32Å; R838-V841 HydrophobicContact CB-CG1 3.7Å; R838-V841 HydrophobicContact CG-CG1 4.21Å | ||
| 839 | F | 95.1 | Very high | 97 | Very high | 16 Ų | 16 | 32.5 Ų | 32.5 | 7% | 0.07 | 15% | 0.154 | C | C | . | . | S | Bend | trans | -76.9 | -22 | 176.9 | 66.1 | -92.5 | 0 | 0 | 0 | 112.9 | V732 D734 H736 L737 A837 S867 | V732-F839 HydrophobicContact CG1-CE2 3.81Å; V732-F839 HydrophobicContact CG1-CZ 4.19Å; V732-F839 HydrophobicContact CG2-CE2 4.38Å; V732-F839 WeakPolarHBondContact O-CZ 3.3Å; D734-F839 HydrophobicContact CB-CD1 3.88Å; D734-F839 HydrophobicContact CB-CE1 3.88Å; D734-F839 HydrophobicContact CB-CG 4.24Å; D734-F839 HydrophobicContact CB-CZ 4.22Å; H736-F839 AromaticContact CE1-CD2 3.85Å; H736-F839 AromaticContact CE1-CE2 3.8Å; L737-F839 HydrophobicContact CD1-CB 4.22Å; A837-F839 VanDerWaalsContact C-N 3.3Å; A837-F839 PolarHBondContact O-N 2.95Å; F839-S867 VanDerWaalsContact O-CB 3.3Å; F839-S867 WeakPolarHBondContact O-CB 3.42Å; F839-S867 PolarHBondContact O-OG 3.49Å |
| 840 | E | 97.4 | Very high | 97 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -132 | 128.2 | 168.8 | -176.5 | 74.4 | -167.9 | 0 | 0 | 106.6 | N520 Y523 V732 K803 R838 G865 S876 | N520-E840 HydrophobicContact CB-CB 4.16Å; N520-E840 HydrophobicContact CB-CG 4.27Å; Y523-E840 HydrophobicContact CD2-CG 4.12Å; V732-E840 HydrophobicContact CG1-CB 4.08Å; V732-E840 HydrophobicContact CG1-CG 4.19Å; K803-E840 IonicContact NZ-OE2 2.68Å; K803-E840 PolarHBondContact NZ-OE2 3.01Å; R838-E840 VanDerWaalsContact C-N 3.32Å; E840-G865 WeakPolarHBondContact OE1-CA 3.44Å; E840-S876 VanDerWaalsContact CD-OG 3.3Å; E840-S876 VanDerWaalsContact OE1-CB 3.29Å; E840-S876 WeakPolarHBondContact OE1-CB 3.29Å; E840-S876 PolarHBondContact OE1-OG 3.28Å; E840-S876 PolarHBondContact OE2-OG 3.36Å |
| 841 | V | 98.2 | Very high | 97 | Very high | 3 Ų | 3 | 29 Ų | 29 | 2% | 0.018 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 151.4 | -176.8 | -60.9 | 0 | 0 | 0 | 0 | 109.9 | F515 Y817 R838 Y866 | F515-V841 HydrophobicContact CE2-CG1 4.25Å; Y817-V841 HydrophobicContact CD1-CG2 4.36Å; Y817-V841 HydrophobicContact CE1-CG2 3.79Å; Y817-V841 HydrophobicContact CE2-CG2 4.47Å; R838-V841 HydrophobicContact CB-CG1 3.7Å; R838-V841 HydrophobicContact CG-CG1 4.21Å; V841-Y866 WeakPolarHBondContact CG2-O 3.42Å; V841-Y866 PolarHBondContact N-O 3.07Å; V841-Y866 PolarHBondContact O-N 3.34Å |
| 842 | W | 98 | Very high | 96.8 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.008 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 144.6 | 174.9 | 74.4 | -87.5 | 0 | 0 | 0 | 111.1 | N339 Y523 I819 Q820 R826 Y864 | N339-W842 HydrophobicContact CB-CD2 3.67Å; N339-W842 HydrophobicContact CB-CE3 4.08Å; N339-W842 HydrophobicContact CB-CG 3.85Å; N339-W842 HydrophobicContact CB-CZ2 4.24Å; N339-W842 WeakPolarHBondContact O-CZ3 3.31Å; N339-W842 VanDerWaalsContact OD1-CE2 3.31Å; N339-W842 PolarHBondContact OD1-NE1 3.06Å; Y523-W842 HydrophobicContact CD1-CB 3.86Å; Y523-W842 HydrophobicContact CD2-CB 4Å; Y523-W842 HydrophobicContact CE1-CB 3.85Å; Y523-W842 HydrophobicContact CE1-CG 4.47Å; Y523-W842 HydrophobicContact CE2-CB 3.98Å; Y523-W842 HydrophobicContact CG-CB 3.94Å; I819-W842 HydrophobicContact CB-CH2 3.5Å; I819-W842 HydrophobicContact CB-CZ2 4.19Å; I819-W842 HydrophobicContact CB-CZ3 4.12Å; I819-W842 HydrophobicContact CG2-CH2 3.34Å; I819-W842 HydrophobicContact CG2-CZ2 3.66Å; I819-W842 HydrophobicContact CG2-CZ3 3.87Å; Q820-W842 VanDerWaalsContact OE1-CH2 3.28Å; R826-W842 PolarHBondContact NH1-O 3.16Å; R826-W842 PolarHBondContact NH2-O 2.89Å; W842-Y864 CarbonylContact C-O 3.51Å; W842-Y864 VanDerWaalsContact CA-O 3.22Å; W842-Y864 WeakPolarHBondContact CA-O 3.32Å |
| 843 | G | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.155 | C | C | . | . | trans | -145.7 | 153.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | Y864 | G843-Y864 PolarHBondContact N-O 3.47Å; G843-Y864 VanDerWaalsContact O-CA 3.31Å; G843-Y864 WeakPolarHBondContact O-CA 3.29Å | ||
| 844 | H | 98.1 | Very high | 96.7 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.019 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -82.7 | -93.8 | -171.6 | -159.1 | -91 | 0 | 0 | 0 | 111.5 | R534 E818 N860 Y864 | R534-H844 PolarHBondContact NH1-O 2.81Å; R534-H844 PolarHBondContact NH2-O 3.39Å; E818-H844 HydrophobicContact CB-CB 4.23Å; E818-H844 HydrophobicContact CG-CB 4.37Å; E818-H844 PolarHBondContact O-N 3.03Å; E818-H844 WeakPolarHBondContact OE2-CB 3.26Å; E818-H844 IonicContact OE2-CG 3.55Å; E818-H844 IonicContact OE2-ND1 2.66Å; H844-N860 PolarHBondContact O-ND2 3.29Å; H844-Y864 AromaticContact CD2-CE1 3.66Å; H844-Y864 AromaticContact NE2-CE1 3.94Å |
| 845 | K | 98.5 | Very high | 96.8 | Very high | 9 Ų | 9 | 27.2 Ų | 27.2 | 4% | 0.039 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -97.5 | -19.9 | -179.1 | -53.1 | 168.6 | -158.1 | 76.4 | 0 | 113.2 | E818 L859 N860 A915 N919 | E818-K845 IonicContact OE1-NZ 3.42Å; E818-K845 PolarHBondContact OE1-NZ 3.48Å; E818-K845 VanDerWaalsContact OE2-CA 3.31Å; E818-K845 WeakPolarHBondContact OE2-CA 3.25Å; E818-K845 WeakPolarHBondContact OE2-CB 3.17Å; E818-K845 WeakPolarHBondContact OE2-CG 3.35Å; E818-K845 PolarHBondContact OE2-N 3.46Å; E818-K845 IonicContact OE2-NZ 3.57Å; E818-K845 PolarHBondContact OE2-NZ 2.91Å; K845-L859 CarbonylContact O-C 3.56Å; K845-L859 WeakPolarHBondContact O-CA 3.29Å; K845-N860 PolarHBondContact O-N 3.3Å; K845-N860 PolarHBondContact O-ND2 2.91Å; K845-A915 HydrophobicContact CB-CB 4.03Å; K845-N919 HydrophobicContact CD-CB 4.4Å |
| 846 | W | 98.8 | Very high | 96.9 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 1% | 0.008 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 153.4 | -176 | 64.1 | -92.4 | 0 | 0 | 0 | 114.5 | T816 E818 H823 D848 T857 L858 L859 Y866 F906 V911 I912 A915 | T816-W846 HydrophobicContact CG2-CH2 3.8Å; T816-W846 HydrophobicContact CG2-CZ3 3.97Å; E818-W846 HydrophobicContact CB-CD2 3.99Å; E818-W846 HydrophobicContact CB-CG 3.97Å; E818-W846 HydrophobicContact CB-CZ2 4.21Å; E818-W846 PolarHBondContact N-O 3.49Å; H823-W846 HydrophobicContact CB-CH2 4.02Å; H823-W846 HydrophobicContact CB-CZ2 4.16Å; H823-W846 AromaticContact CD2-CH2 3.76Å; H823-W846 AromaticContact CD2-CZ2 3.89Å; W846-D848 HydrophobicContact CE3-CB 3.86Å; W846-D848 HydrophobicContact CZ3-CB 3.58Å; W846-T857 HydrophobicContact CB-CG2 3.94Å; W846-T857 HydrophobicContact CE3-CG2 4.1Å; W846-L858 WeakPolarHBondContact CA-O 3.24Å; W846-L859 HydrophobicContact CB-CD2 3.52Å; W846-L859 HydrophobicContact CG-CD2 4.43Å; W846-Y866 WeakPolarHBondContact CA-OH 3.5Å; W846-F906 AromaticContact CH2-CD2 3.6Å; W846-F906 HydrophobicContact CH2-CD2 3.6Å; W846-F906 AromaticContact CH2-CE2 3.62Å; W846-F906 HydrophobicContact CH2-CE2 3.62Å; W846-F906 HydrophobicContact CH2-CG 4.18Å; W846-F906 HydrophobicContact CH2-CZ 4.17Å; W846-F906 HydrophobicContact CZ2-CD2 4.13Å; W846-F906 HydrophobicContact CZ2-CE2 4.13Å; W846-F906 HydrophobicContact CZ3-CD2 4.22Å; W846-F906 HydrophobicContact CZ3-CG 4.39Å; W846-V911 HydrophobicContact CD2-CG1 3.85Å; W846-V911 HydrophobicContact CE3-CG1 4.05Å; W846-V911 HydrophobicContact CG-CG1 4.1Å; W846-I912 HydrophobicContact CZ2-CG1 4.11Å; W846-A915 HydrophobicContact CB-CB 4.24Å; W846-A915 VanDerWaalsContact CD1-CB 3.44Å; W846-A915 HydrophobicContact CG-CB 4.13Å |
| 847 | A | 98.9 | Very high | 97.2 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 136.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | T816 Y817 T857 L858 Y866 I868 M873 | T816-A847 CarbonylContact O-C 3.49Å; T816-A847 WeakPolarHBondContact O-CA 3.47Å; Y817-A847 HydrophobicContact CD1-CB 3.48Å; Y817-A847 VanDerWaalsContact CD1-CB 3.48Å; Y817-A847 HydrophobicContact CE1-CB 3.61Å; Y817-A847 HydrophobicContact CG-CB 4.36Å; A847-T857 CarbonylContact O-C 3.52Å; A847-T857 WeakPolarHBondContact O-CA 3.33Å; A847-T857 VanDerWaalsContact O-CG2 3.28Å; A847-T857 WeakPolarHBondContact O-CG2 3.19Å; A847-L858 PolarHBondContact N-O 3.41Å; A847-L858 PolarHBondContact O-N 2.71Å; A847-Y866 HydrophobicContact CB-CD1 3.57Å; A847-Y866 HydrophobicContact CB-CE1 3.46Å; A847-Y866 VanDerWaalsContact CB-CE1 3.46Å; A847-Y866 HydrophobicContact CB-CG 4.18Å; A847-I868 HydrophobicContact CB-CD1 3.8Å; A847-M873 WeakPolarHBondContact O-CE 3.43Å |
| 848 | D | 98.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 133.7 | -174.4 | -177.6 | 71.5 | 0 | 0 | 0 | 111.4 | A815 T816 W846 S850 T857 H902 F906 | A815-D848 CarbonylContact C-O 3.59Å; A815-D848 WeakPolarHBondContact CA-O 3.46Å; T816-D848 PolarHBondContact N-O 2.83Å; T816-D848 PolarHBondContact O-N 2.79Å; W846-D848 HydrophobicContact CE3-CB 3.86Å; W846-D848 HydrophobicContact CZ3-CB 3.58Å; D848-S850 VanDerWaalsContact CG-OG 3.28Å; D848-S850 PolarHBondContact OD1-OG 3.01Å; D848-S850 VanDerWaalsContact OD2-CB 3.3Å; D848-S850 WeakPolarHBondContact OD2-CB 3.34Å; D848-S850 PolarHBondContact OD2-OG 3.49Å; D848-T857 HydrophobicContact CB-CG2 4.17Å; D848-T857 PolarHBondContact OD1-OG1 2.85Å; D848-H902 IonicContact OD1-CD2 3.45Å; D848-H902 IonicContact OD1-CE1 2.77Å; D848-H902 IonicContact OD1-NE2 3.94Å; D848-H902 PolarHBondContact OD1-NE2 2.8Å; D848-F906 HydrophobicContact CB-CB 4.33Å |
| 849 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 110.6 | 168.1 | -174.2 | 68.2 | 0 | 0 | 0 | 108.1 | V808 V810 A815 T828 G855 V856 I868 M873 | V808-L849 HydrophobicContact CG2-CD2 3.78Å; V810-L849 HydrophobicContact CB-CD2 4.17Å; V810-L849 HydrophobicContact CB-CG 4.17Å; V810-L849 HydrophobicContact CG1-CD2 4.4Å; V810-L849 HydrophobicContact CG1-CG 3.91Å; V810-L849 WeakPolarHBondContact CG1-O 3.34Å; A815-L849 HydrophobicContact CB-CD1 4.15Å; T828-L849 HydrophobicContact CG2-CD1 3.93Å; L849-G855 WeakPolarHBondContact O-CA 3.36Å; L849-V856 PolarHBondContact N-O 3.11Å; L849-V856 PolarHBondContact O-N 3.25Å; L849-I868 HydrophobicContact CD1-CG2 4.32Å; L849-I868 HydrophobicContact CD2-CG2 4.23Å; L849-M873 HydrophobicContact CB-CE 4.21Å; L849-M873 HydrophobicContact CB-CG 4.29Å; L849-M873 HydrophobicContact CB-SD 4Å; L849-M873 HydrophobicContact CD2-CG 4.43Å |
| 850 | S | 97.9 | Very high | 97.8 | Very high | 25 Ų | 25 | 18.6 Ų | 18.6 | 18% | 0.175 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 136.9 | -176.1 | -69.2 | 0 | 0 | 0 | 0 | 112.8 | S812 D848 G855 H902 | S812-S850 VanDerWaalsContact CB-O 3.31Å; S812-S850 WeakPolarHBondContact CB-O 3.32Å; D848-S850 VanDerWaalsContact CG-OG 3.28Å; D848-S850 PolarHBondContact OD1-OG 3.01Å; D848-S850 VanDerWaalsContact OD2-CB 3.3Å; D848-S850 WeakPolarHBondContact OD2-CB 3.34Å; D848-S850 PolarHBondContact OD2-OG 3.49Å; S850-G855 WeakPolarHBondContact OG-CA 3.47Å; S850-H902 PolarHBondContact OG-CE1 2.81Å; S850-H902 VanDerWaalsContact OG-CE1 3.27Å; S850-H902 PolarHBondContact OG-NE2 3.46Å |
| 851 | E | 95.6 | Very high | 97.8 | Very high | 70 Ų | 70 | 19.9 Ų | 19.9 | 33% | 0.327 | 10% | 0.099 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 178.9 | 156.3 | 63.4 | -176.2 | -179.1 | 0 | 0 | 109.1 | R705 V810 N853 F854 | R705-E851 IonicContact NH2-OE1 2.87Å; R705-E851 PolarHBondContact NH2-OE1 3.48Å; V810-E851 HydrophobicContact CG1-CB 4.14Å; V810-E851 HydrophobicContact CG1-CG 4.21Å; E851-N853 VanDerWaalsContact C-N 3.31Å; E851-N853 PolarHBondContact O-N 2.74Å; E851-F854 HydrophobicContact CG-CB 4.27Å; E851-F854 VanDerWaalsContact CG-O 3.28Å; E851-F854 WeakPolarHBondContact CG-O 3.42Å; E851-F854 PolarHBondContact N-O 2.66Å; E851-F854 PolarHBondContact O-N 3.01Å |
| 852 | H | 92.4 | Very high | 97.7 | Very high | 163 Ų | 163 | 19.8 Ų | 19.8 | 76% | 0.755 | 10% | 0.099 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.5 | -41.8 | -167.6 | 178.8 | 48.4 | 0 | 0 | 0 | 115.8 | ||
| 853 | N | 93.6 | Very high | 97.7 | Very high | 104 Ų | 104 | 20 Ų | 20 | 56% | 0.556 | 10% | 0.1 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | 0.7 | -173 | -76.4 | -30 | 0 | 0 | 0 | 114.2 | E851 L903 G904 | E851-N853 VanDerWaalsContact C-N 3.31Å; E851-N853 PolarHBondContact O-N 2.74Å; N853-L903 WeakPolarHBondContact O-CA 3.2Å; N853-G904 PolarHBondContact O-N 3.47Å; N853-G904 VanDerWaalsContact O-N 3.16Å |
| 854 | F | 97.9 | Very high | 97.7 | Very high | 7 Ų | 7 | 20 Ų | 20 | 3% | 0.031 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 136.8 | -176.9 | -176.7 | -108.1 | 0 | 0 | 0 | 109.9 | L700 R705 A707 V810 E851 V856 P901 H902 L903 | L700-F854 HydrophobicContact CD2-CE2 4.39Å; R705-F854 HydrophobicContact CB-CD2 4.37Å; R705-F854 HydrophobicContact CB-CE2 4.1Å; R705-F854 HydrophobicContact CG-CD1 4.09Å; R705-F854 HydrophobicContact CG-CD2 3.59Å; R705-F854 HydrophobicContact CG-CE1 3.98Å; R705-F854 HydrophobicContact CG-CE2 3.46Å; R705-F854 VanDerWaalsContact CG-CE2 3.46Å; R705-F854 HydrophobicContact CG-CG 3.91Å; R705-F854 HydrophobicContact CG-CZ 3.67Å; A707-F854 HydrophobicContact CB-CE1 4.47Å; A707-F854 HydrophobicContact CB-CZ 3.92Å; V810-F854 HydrophobicContact CG2-CD1 3.83Å; V810-F854 HydrophobicContact CG2-CE1 3.96Å; E851-F854 HydrophobicContact CG-CB 4.27Å; E851-F854 VanDerWaalsContact CG-O 3.28Å; E851-F854 WeakPolarHBondContact CG-O 3.42Å; E851-F854 PolarHBondContact N-O 2.66Å; E851-F854 PolarHBondContact O-N 3.01Å; F854-V856 HydrophobicContact CE1-CG2 4.05Å; F854-V856 HydrophobicContact CZ-CG2 4.22Å; F854-P901 HydrophobicContact CE2-CB 4.19Å; F854-P901 HydrophobicContact CZ-CB 4.09Å; F854-H902 WeakPolarHBondContact CA-O 3.48Å; F854-H902 WeakPolarHBondContact CD2-O 3.37Å; F854-L903 HydrophobicContact CD2-CD2 4.2Å |
| 855 | G | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | 166 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L849 S850 P901 H902 | L849-G855 WeakPolarHBondContact O-CA 3.36Å; S850-G855 WeakPolarHBondContact OG-CA 3.47Å; G855-P901 WeakPolarHBondContact O-CA 3.45Å; G855-H902 PolarHBondContact N-O 2.61Å; G855-H902 PolarHBondContact O-N 3.05Å |
| 856 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 127.4 | 170.3 | -173.9 | 0 | 0 | 0 | 0 | 108.3 | A707 V808 V810 L849 F854 M873 I899 M900 P901 | A707-V856 HydrophobicContact CB-CG2 3.98Å; V808-V856 HydrophobicContact CB-CB 4.3Å; V808-V856 HydrophobicContact CB-CG2 4.02Å; V808-V856 HydrophobicContact CG1-CB 3.92Å; V808-V856 HydrophobicContact CG1-CG1 3.8Å; V808-V856 HydrophobicContact CG1-CG2 3.96Å; V808-V856 HydrophobicContact CG2-CB 4.5Å; V810-V856 HydrophobicContact CG2-CG2 4Å; L849-V856 PolarHBondContact N-O 3.11Å; L849-V856 PolarHBondContact O-N 3.25Å; F854-V856 HydrophobicContact CE1-CG2 4.05Å; F854-V856 HydrophobicContact CZ-CG2 4.22Å; V856-M873 HydrophobicContact CB-SD 4.2Å; V856-M873 HydrophobicContact CG1-SD 4.22Å; V856-M873 VanDerWaalsContact O-CE 3.27Å; V856-M873 WeakPolarHBondContact O-CE 3.3Å; V856-M873 VanDerWaalsContact O-SD 3.41Å; V856-I899 HydrophobicContact CG1-CD1 3.49Å; V856-I899 VanDerWaalsContact CG1-CD1 3.49Å; V856-I899 HydrophobicContact CG1-CG1 3.69Å; V856-M900 WeakPolarHBondContact CA-O 3.43Å; V856-P901 HydrophobicContact CG2-CB 4.47Å |
| 857 | T | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 136.2 | 177 | -43.4 | 0 | 0 | 0 | 0 | 111 | W846 A847 D848 L859 I899 M900 H902 V911 | W846-T857 HydrophobicContact CB-CG2 3.94Å; W846-T857 HydrophobicContact CE3-CG2 4.1Å; A847-T857 CarbonylContact O-C 3.52Å; A847-T857 WeakPolarHBondContact O-CA 3.33Å; A847-T857 VanDerWaalsContact O-CG2 3.28Å; A847-T857 WeakPolarHBondContact O-CG2 3.19Å; D848-T857 HydrophobicContact CB-CG2 4.17Å; D848-T857 PolarHBondContact OD1-OG1 2.85Å; T857-L859 HydrophobicContact CG2-CD2 3.61Å; T857-I899 WeakPolarHBondContact O-CA 3.27Å; T857-M900 PolarHBondContact N-O 2.77Å; T857-M900 PolarHBondContact O-N 3.22Å; T857-H902 PolarHBondContact OG1-CD2 3.31Å; T857-H902 PolarHBondContact OG1-NE2 2.77Å; T857-V911 HydrophobicContact CG2-CG1 3.5Å; T857-V911 VanDerWaalsContact CG2-CG1 3.5Å; T857-V911 HydrophobicContact CG2-CG2 4.44Å; T857-V911 VanDerWaalsContact OG1-CG2 3.28Å; T857-V911 WeakPolarHBondContact OG1-CG2 3.1Å |
| 858 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 106.8 | 172.3 | -176.4 | 55.2 | 0 | 0 | 0 | 110.1 | F806 W846 A847 Y866 M873 L875 Y897 I899 | F806-L858 HydrophobicContact CD2-CD1 4.07Å; F806-L858 HydrophobicContact CD2-CD2 4.27Å; F806-L858 HydrophobicContact CE2-CD1 3.82Å; W846-L858 WeakPolarHBondContact CA-O 3.24Å; A847-L858 PolarHBondContact N-O 3.41Å; A847-L858 PolarHBondContact O-N 2.71Å; L858-Y866 HydrophobicContact CB-CE1 4.38Å; L858-Y866 HydrophobicContact CD2-CD1 4.47Å; L858-Y866 HydrophobicContact CD2-CE1 4.17Å; L858-Y866 HydrophobicContact CG-CE1 4.14Å; L858-Y866 PolarHBondContact O-OH 2.68Å; L858-Y866 VanDerWaalsContact O-OH 3.07Å; L858-M873 HydrophobicContact CB-CE 3.77Å; L858-M873 HydrophobicContact CD2-CB 4.27Å; L858-L875 HydrophobicContact CD2-CB 3.84Å; L858-Y897 HydrophobicContact CD1-CD2 4.35Å; L858-I899 HydrophobicContact CB-CD1 4.33Å; L858-I899 HydrophobicContact CD1-CD1 4.16Å |
| 859 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 152.5 | -179.4 | -46.2 | 176.9 | 0 | 0 | 0 | 110.8 | Y786 K845 W846 T857 Y897 A898 V911 C914 A915 L918 | Y786-L859 HydrophobicContact CD1-CD1 3.99Å; Y786-L859 HydrophobicContact CE1-CD1 4.29Å; Y786-L859 HydrophobicContact CG-CD1 4.19Å; K845-L859 CarbonylContact O-C 3.56Å; K845-L859 WeakPolarHBondContact O-CA 3.29Å; W846-L859 HydrophobicContact CB-CD2 3.52Å; W846-L859 HydrophobicContact CG-CD2 4.43Å; T857-L859 HydrophobicContact CG2-CD2 3.61Å; L859-Y897 CarbonylContact O-C 3.2Å; L859-Y897 WeakPolarHBondContact O-CA 3.41Å; L859-Y897 VanDerWaalsContact O-CB 3.22Å; L859-Y897 WeakPolarHBondContact O-CB 3.4Å; L859-A898 HydrophobicContact CB-CB 4.17Å; L859-A898 HydrophobicContact CD1-CB 4.27Å; L859-A898 PolarHBondContact N-O 2.73Å; L859-A898 PolarHBondContact O-N 2.88Å; L859-V911 HydrophobicContact CD2-CG1 4.36Å; L859-C914 HydrophobicContact CD1-CB 4.24Å; L859-A915 HydrophobicContact CD2-CB 4.07Å; L859-L918 HydrophobicContact CB-CD2 3.73Å |
| 860 | N | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 161.6 | 175.8 | 83.5 | 81.5 | 0 | 0 | 0 | 113.1 | R534 H844 K845 S862 K863 Y866 L875 N919 | R534-N860 PolarHBondContact NH1-O 3.06Å; R534-N860 PolarHBondContact NH1-OD1 3.42Å; H844-N860 PolarHBondContact O-ND2 3.29Å; K845-N860 PolarHBondContact O-N 3.3Å; K845-N860 PolarHBondContact O-ND2 2.91Å; N860-S862 PolarHBondContact OD1-N 2.85Å; N860-K863 HydrophobicContact CB-CB 4.22Å; N860-K863 PolarHBondContact ND2-O 3.2Å; N860-K863 PolarHBondContact OD1-N 2.85Å; N860-K863 PolarHBondContact OD1-O 2.95Å; N860-Y866 PolarHBondContact ND2-OH 3.05Å; N860-L875 HydrophobicContact CB-CD1 4.41Å; N860-L875 HydrophobicContact CB-CD2 4.12Å; N860-N919 PolarHBondContact O-ND2 3.43Å |
| 861 | D | 97.4 | Very high | 97.6 | Very high | 27 Ų | 27 | 30.3 Ų | 30.3 | 14% | 0.144 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -104.9 | -9.2 | 177.2 | 74.7 | -7.4 | 0 | 0 | 0 | 115.4 | R534 T896 N919 | R534-D861 WeakPolarHBondContact CD-O 3.46Å; R534-D861 VanDerWaalsContact NH1-C 3.25Å; D861-T896 VanDerWaalsContact CG-O 3.3Å; D861-T896 PolarHBondContact N-O 2.85Å; D861-T896 PolarHBondContact OD1-N 2.86Å; D861-T896 VanDerWaalsContact OD1-O 3.08Å; D861-T896 WeakPolarHBondContact OD2-CB 3.4Å; D861-T896 PolarHBondContact OD2-N 2.95Å; D861-T896 PolarHBondContact OD2-OG1 3.05Å; D861-N919 WeakPolarHBondContact CA-OD1 3.36Å |
| 862 | S | 96.5 | Very high | 97.7 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.007 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -169.5 | 7.7 | -169.6 | 57.9 | 0 | 0 | 0 | 0 | 115.4 | N860 F895 | N860-S862 PolarHBondContact OD1-N 2.85Å; S862-F895 WeakPolarHBondContact OG-CB 3.17Å |
| 863 | K | 98.4 | Very high | 98 | Very high | 7 Ų | 7 | 21 Ų | 21 | 3% | 0.03 | 11% | 0.106 | C | C | . | . | trans | -115.1 | 119.3 | -173 | -60.5 | -65.1 | 170.8 | -84.1 | 0 | 109.6 | N860 L875 L877 F895 | N860-K863 HydrophobicContact CB-CB 4.22Å; N860-K863 PolarHBondContact ND2-O 3.2Å; N860-K863 PolarHBondContact OD1-N 2.85Å; N860-K863 PolarHBondContact OD1-O 2.95Å; K863-L875 HydrophobicContact CB-CD1 3.79Å; K863-L875 HydrophobicContact CB-CD2 3.98Å; K863-L875 HydrophobicContact CB-CG 3.97Å; K863-L875 HydrophobicContact CG-CD2 4.18Å; K863-L877 WeakPolarHBondContact CD-O 3.45Å; K863-L877 VanDerWaalsContact CE-O 3.24Å; K863-L877 WeakPolarHBondContact CE-O 3.39Å; K863-L877 HydrophobicContact CG-CD2 4.41Å; K863-F895 VanDerWaalsContact CE-CD1 3.47Å; K863-F895 VanDerWaalsContact CE-CG 3.44Å | ||
| 864 | Y | 98.7 | Very high | 98.3 | Very high | 1 Ų | 1 | 16.5 Ų | 16.5 | 0% | 0.004 | 8% | 0.082 | C | C | . | . | trans | -101.5 | -22 | -174 | -66 | -96.8 | 0 | 0 | 0 | 113 | L340 K530 R534 W842 G843 H844 | L340-Y864 HydrophobicContact CB-CE1 4.49Å; L340-Y864 HydrophobicContact CD2-CD1 3.73Å; L340-Y864 HydrophobicContact CD2-CD2 4.34Å; L340-Y864 HydrophobicContact CD2-CE1 4.45Å; L340-Y864 HydrophobicContact CD2-CG 3.65Å; L340-Y864 VanDerWaalsContact O-CE1 3.27Å; L340-Y864 WeakPolarHBondContact O-CE1 3.43Å; K530-Y864 HydrophobicContact CB-CD2 3.98Å; K530-Y864 HydrophobicContact CB-CE2 3.81Å; K530-Y864 HydrophobicContact CG-CD2 3.78Å; K530-Y864 HydrophobicContact CG-CE2 3.95Å; R534-Y864 PolarHBondContact NE-OH 3.38Å; R534-Y864 PolarHBondContact NH2-OH 2.82Å; W842-Y864 CarbonylContact C-O 3.51Å; W842-Y864 VanDerWaalsContact CA-O 3.22Å; W842-Y864 WeakPolarHBondContact CA-O 3.32Å; G843-Y864 PolarHBondContact N-O 3.47Å; G843-Y864 VanDerWaalsContact O-CA 3.31Å; G843-Y864 WeakPolarHBondContact O-CA 3.29Å; H844-Y864 AromaticContact CD2-CE1 3.66Å; H844-Y864 AromaticContact NE2-CE1 3.94Å | ||
| 865 | G | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 126.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113 | E840 S876 | E840-G865 WeakPolarHBondContact OE1-CA 3.44Å; G865-S876 WeakPolarHBondContact O-CB 3.42Å; G865-S876 PolarHBondContact O-N 3.21Å |
| 866 | Y | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 154.2 | 176.5 | -75.9 | -91.7 | 0 | 0 | 0 | 111.4 | Y817 V841 W846 A847 L858 N860 T874 L875 | Y817-Y866 HydrophobicContact CD1-CG 4.39Å; Y817-Y866 HydrophobicContact CE1-CG 4.19Å; V841-Y866 WeakPolarHBondContact CG2-O 3.42Å; V841-Y866 PolarHBondContact N-O 3.07Å; V841-Y866 PolarHBondContact O-N 3.34Å; W846-Y866 WeakPolarHBondContact CA-OH 3.5Å; A847-Y866 HydrophobicContact CB-CD1 3.57Å; A847-Y866 HydrophobicContact CB-CE1 3.46Å; A847-Y866 VanDerWaalsContact CB-CE1 3.46Å; A847-Y866 HydrophobicContact CB-CG 4.18Å; L858-Y866 HydrophobicContact CB-CE1 4.38Å; L858-Y866 HydrophobicContact CD2-CD1 4.47Å; L858-Y866 HydrophobicContact CD2-CE1 4.17Å; L858-Y866 HydrophobicContact CG-CE1 4.14Å; L858-Y866 PolarHBondContact O-OH 2.68Å; L858-Y866 VanDerWaalsContact O-OH 3.07Å; N860-Y866 PolarHBondContact ND2-OH 3.05Å; Y866-T874 WeakPolarHBondContact CA-O 3.22Å; Y866-L875 HydrophobicContact CD1-CD1 3.85Å; Y866-L875 HydrophobicContact CD2-CD1 4.24Å; Y866-L875 HydrophobicContact CE1-CD1 3.53Å; Y866-L875 HydrophobicContact CE2-CD1 3.92Å; Y866-L875 HydrophobicContact CG-CD1 4.22Å |
| 867 | S | 97.8 | Very high | 98.4 | Very high | 14 Ų | 14 | 16.2 Ų | 16.2 | 10% | 0.098 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 112.7 | 168.5 | -176.2 | 0 | 0 | 0 | 0 | 109.2 | F839 T874 | F839-S867 VanDerWaalsContact O-CB 3.3Å; F839-S867 WeakPolarHBondContact O-CB 3.42Å; F839-S867 PolarHBondContact O-OG 3.49Å; S867-T874 PolarHBondContact N-O 3.24Å; S867-T874 WeakPolarHBondContact O-CA 3.04Å; S867-T874 WeakPolarHBondContact O-CB 3.48Å; S867-T874 PolarHBondContact O-N 3.23Å; S867-T874 PolarHBondContact O-OG1 2.69Å |
| 868 | I | 98.4 | Very high | 98.3 | Very high | 9 Ų | 9 | 16.2 Ų | 16.2 | 5% | 0.046 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 111.3 | 175.5 | -54.4 | -179.9 | 0 | 0 | 0 | 108.2 | A815 Y817 T828 A847 L849 T872 M873 | A815-I868 HydrophobicContact CB-CB 4.03Å; A815-I868 HydrophobicContact CB-CD1 3.66Å; A815-I868 HydrophobicContact CB-CG1 4.38Å; A815-I868 HydrophobicContact CB-CG2 4.01Å; Y817-I868 HydrophobicContact CE1-CD1 3.98Å; Y817-I868 HydrophobicContact CE1-CG1 4.28Å; Y817-I868 VanDerWaalsContact OH-CB 3.29Å; Y817-I868 WeakPolarHBondContact OH-CB 3.47Å; Y817-I868 VanDerWaalsContact OH-CG1 3.29Å; Y817-I868 WeakPolarHBondContact OH-CG1 3.42Å; T828-I868 HydrophobicContact CG2-CG2 3.99Å; A847-I868 HydrophobicContact CB-CD1 3.8Å; L849-I868 HydrophobicContact CD1-CG2 4.32Å; L849-I868 HydrophobicContact CD2-CG2 4.23Å; I868-T872 WeakPolarHBondContact CA-O 3.47Å; I868-M873 HydrophobicContact CD1-CB 4.45Å; I868-M873 HydrophobicContact CD1-CE 3.79Å; I868-M873 HydrophobicContact CD1-CG 4.15Å; I868-M873 HydrophobicContact CG1-CB 4.28Å; I868-M873 HydrophobicContact CG1-CG 4.3Å; I868-M873 HydrophobicContact CG2-CG 4.17Å |
| 869 | H | 97.9 | Very high | 98.3 | Very high | 45 Ų | 45 | 16.2 Ų | 16.2 | 21% | 0.208 | 8% | 0.081 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 126 | 178 | -175.5 | 74.7 | 0 | 0 | 0 | 110 | T828 W830 N871 T872 | T828-H869 PolarHBondContact O-ND1 3.42Å; W830-H869 AromaticContact CD2-CE1 3.64Å; W830-H869 AromaticContact CD2-ND1 3.93Å; W830-H869 AromaticContact CE2-CE1 3.66Å; W830-H869 AromaticContact CE2-ND1 3.48Å; W830-H869 AromaticContact CE3-CE1 3.87Å; W830-H869 AromaticContact CZ2-CE1 3.93Å; W830-H869 AromaticContact CZ2-ND1 3.69Å; W830-H869 AromaticContact NE1-ND1 3.69Å; H869-N871 PolarHBondContact O-N 3.11Å; H869-T872 PolarHBondContact N-O 3.04Å; H869-T872 PolarHBondContact O-N 2.9Å |
| 870 | K | 97.4 | Very high | 98.3 | Very high | 137 Ų | 137 | 16.2 Ų | 16.2 | 60% | 0.596 | 8% | 0.081 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.5 | -100.6 | -169.4 | -61.9 | 168.9 | -178.2 | 168.8 | 0 | 110.7 | T828 | T828-K870 PolarHBondContact O-N 3.14Š|
| 871 | N | 97.9 | Very high | 98.2 | Very high | 52 Ų | 52 | 16.2 Ų | 16.2 | 28% | 0.278 | 8% | 0.081 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -122.2 | 6.4 | -176.4 | 72.9 | -58.1 | 0 | 0 | 0 | 112.7 | S709 V808 V810 H869 | S709-N871 PolarHBondContact OG-ND2 3.49Å; V808-N871 VanDerWaalsContact CG2-O 3.27Å; V808-N871 WeakPolarHBondContact CG2-O 3.48Å; V808-N871 PolarHBondContact N-O 3.12Å; V808-N871 WeakPolarHBondContact O-CB 3.36Å; V808-N871 PolarHBondContact O-ND2 3.5Å; V810-N871 VanDerWaalsContact O-CB 3.31Å; V810-N871 WeakPolarHBondContact O-CB 3.25Å; H869-N871 PolarHBondContact O-N 3.11Å |
| 872 | T | 98.6 | Very high | 98.2 | Very high | 36 Ų | 36 | 17.1 Ų | 17.1 | 22% | 0.221 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 114.6 | 175.2 | -57.4 | 0 | 0 | 0 | 0 | 109 | E805 P807 I868 H869 | E805-T872 HydrophobicContact CB-CG2 4.08Å; E805-T872 HydrophobicContact CG-CG2 4.24Å; P807-T872 HydrophobicContact CG-CG2 4.46Å; I868-T872 WeakPolarHBondContact CA-O 3.47Å; H869-T872 PolarHBondContact N-O 3.04Å; H869-T872 PolarHBondContact O-N 2.9Å |
| 873 | M | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 125.3 | 171.5 | -55.3 | 176.8 | 77.8 | 0 | 0 | 109.5 | E805 F806 V808 A847 L849 V856 L858 I868 | E805-M873 CarbonylContact C-O 3.5Å; F806-M873 HydrophobicContact CB-CB 4.36Å; F806-M873 PolarHBondContact N-O 2.62Å; F806-M873 PolarHBondContact O-N 2.99Å; V808-M873 HydrophobicContact CG1-SD 4.19Å; V808-M873 HydrophobicContact CG2-CG 4.19Å; V808-M873 HydrophobicContact CG2-SD 4.14Å; A847-M873 WeakPolarHBondContact O-CE 3.43Å; L849-M873 HydrophobicContact CB-CE 4.21Å; L849-M873 HydrophobicContact CB-CG 4.29Å; L849-M873 HydrophobicContact CB-SD 4Å; L849-M873 HydrophobicContact CD2-CG 4.43Å; V856-M873 HydrophobicContact CB-SD 4.2Å; V856-M873 HydrophobicContact CG1-SD 4.22Å; V856-M873 VanDerWaalsContact O-CE 3.27Å; V856-M873 WeakPolarHBondContact O-CE 3.3Å; V856-M873 VanDerWaalsContact O-SD 3.41Å; L858-M873 HydrophobicContact CB-CE 3.77Å; L858-M873 HydrophobicContact CD2-CB 4.27Å; I868-M873 HydrophobicContact CD1-CB 4.45Å; I868-M873 HydrophobicContact CD1-CE 3.79Å; I868-M873 HydrophobicContact CD1-CG 4.15Å; I868-M873 HydrophobicContact CG1-CB 4.28Å; I868-M873 HydrophobicContact CG1-CG 4.3Å; I868-M873 HydrophobicContact CG2-CG 4.17Å |
| 874 | T | 98.8 | Very high | 98.1 | Very high | 11 Ų | 11 | 17.2 Ų | 17.2 | 7% | 0.067 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 134.8 | -178.1 | -51.7 | 0 | 0 | 0 | 0 | 110.4 | K803 V804 E805 Y866 S867 | K803-T874 HydrophobicContact CB-CG2 3.68Å; K803-T874 HydrophobicContact CD-CG2 3.7Å; K803-T874 HydrophobicContact CG-CG2 4.3Å; V804-T874 VanDerWaalsContact O-CA 3.31Å; V804-T874 WeakPolarHBondContact O-CA 3.39Å; E805-T874 HydrophobicContact CG-CG2 4.06Å; Y866-T874 WeakPolarHBondContact CA-O 3.22Å; S867-T874 PolarHBondContact N-O 3.24Å; S867-T874 WeakPolarHBondContact O-CA 3.04Å; S867-T874 WeakPolarHBondContact O-CB 3.48Å; S867-T874 PolarHBondContact O-N 3.23Å; S867-T874 PolarHBondContact O-OG1 2.69Å |
| 875 | L | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 129.2 | 169.7 | -173.9 | 72.1 | 0 | 0 | 0 | 109.5 | K803 V804 L858 N860 K863 Y866 L877 Y897 | K803-L875 WeakPolarHBondContact CA-O 3.45Å; K803-L875 WeakPolarHBondContact CB-O 3.37Å; V804-L875 HydrophobicContact CG1-CB 3.92Å; V804-L875 PolarHBondContact N-O 2.82Å; V804-L875 PolarHBondContact O-N 2.7Å; L858-L875 HydrophobicContact CD2-CB 3.84Å; N860-L875 HydrophobicContact CB-CD1 4.41Å; N860-L875 HydrophobicContact CB-CD2 4.12Å; K863-L875 HydrophobicContact CB-CD1 3.79Å; K863-L875 HydrophobicContact CB-CD2 3.98Å; K863-L875 HydrophobicContact CB-CG 3.97Å; K863-L875 HydrophobicContact CG-CD2 4.18Å; Y866-L875 HydrophobicContact CD1-CD1 3.85Å; Y866-L875 HydrophobicContact CD2-CD1 4.24Å; Y866-L875 HydrophobicContact CE1-CD1 3.53Å; Y866-L875 HydrophobicContact CE2-CD1 3.92Å; Y866-L875 HydrophobicContact CG-CD1 4.22Å; L875-L877 HydrophobicContact CB-CD2 4.43Å; L875-L877 HydrophobicContact CD2-CD2 3.85Å; L875-L877 HydrophobicContact CG-CD2 4.03Å; L875-Y897 HydrophobicContact CD2-CD1 4.27Å; L875-Y897 HydrophobicContact CD2-CG 4.06Å |
| 876 | S | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 122.4 | 176.5 | -70.4 | 0 | 0 | 0 | 0 | 109.9 | T524 F801 K803 E840 G865 | T524-S876 VanDerWaalsContact OG1-CB 3.31Å; T524-S876 WeakPolarHBondContact OG1-CB 3.31Å; F801-S876 WeakPolarHBondContact CZ-OG 3.22Å; K803-S876 VanDerWaalsContact CE-OG 3.3Å; K803-S876 WeakPolarHBondContact CE-OG 3.2Å; E840-S876 VanDerWaalsContact CD-OG 3.3Å; E840-S876 VanDerWaalsContact OE1-CB 3.29Å; E840-S876 WeakPolarHBondContact OE1-CB 3.29Å; E840-S876 PolarHBondContact OE1-OG 3.28Å; E840-S876 PolarHBondContact OE2-OG 3.36Å; G865-S876 WeakPolarHBondContact O-CB 3.42Å; G865-S876 PolarHBondContact O-N 3.21Å |
| 877 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -57.6 | -168.5 | -59.6 | -175.8 | 0 | 0 | 0 | 113.1 | F717 L802 V804 K863 L875 F895 Y897 | F717-L877 HydrophobicContact CD1-CD1 3.9Å; F717-L877 HydrophobicContact CE1-CD1 3.58Å; L802-L877 HydrophobicContact CD2-CB 4.39Å; L802-L877 HydrophobicContact CD2-CD1 4.39Å; L802-L877 HydrophobicContact CG-CB 4.25Å; L802-L877 HydrophobicContact CG-CD1 4.26Å; L802-L877 WeakPolarHBondContact O-CA 3.26Å; L802-L877 WeakPolarHBondContact O-CB 3.3Å; L802-L877 PolarHBondContact O-N 3.44Å; V804-L877 HydrophobicContact CB-CD1 3.98Å; V804-L877 HydrophobicContact CG1-CD1 4Å; V804-L877 HydrophobicContact CG1-CD2 3.98Å; V804-L877 HydrophobicContact CG1-CG 4.17Å; K863-L877 WeakPolarHBondContact CD-O 3.45Å; K863-L877 VanDerWaalsContact CE-O 3.24Å; K863-L877 WeakPolarHBondContact CE-O 3.39Å; K863-L877 HydrophobicContact CG-CD2 4.41Å; L875-L877 HydrophobicContact CB-CD2 4.43Å; L875-L877 HydrophobicContact CD2-CD2 3.85Å; L875-L877 HydrophobicContact CG-CD2 4.03Å; L877-F895 HydrophobicContact CB-CE2 4.42Å; L877-F895 HydrophobicContact CB-CZ 4.01Å; L877-F895 HydrophobicContact CD1-CE2 4.1Å; L877-F895 HydrophobicContact CD1-CZ 4.06Å; L877-F895 HydrophobicContact CD2-CD2 4.42Å; L877-F895 HydrophobicContact CD2-CE2 3.64Å; L877-F895 HydrophobicContact CD2-CZ 4.11Å; L877-F895 HydrophobicContact CG-CE2 4.27Å; L877-F895 HydrophobicContact CG-CZ 4.28Å; L877-Y897 HydrophobicContact CD2-CD1 4.41Å; L877-Y897 HydrophobicContact CD2-CE1 4.41Å |
| 878 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 143.2 | -176.2 | -66.1 | 174 | 0 | 0 | 0 | 110.6 | A527 V793 W795 F801 L802 H893 F895 | A527-L878 HydrophobicContact CB-CD2 3.61Å; V793-L878 HydrophobicContact CB-CD1 3.81Å; V793-L878 HydrophobicContact CG1-CD1 3.82Å; V793-L878 HydrophobicContact CG2-CD1 4.12Å; W795-L878 HydrophobicContact CB-CD1 4.05Å; W795-L878 HydrophobicContact CD2-CB 4.33Å; W795-L878 HydrophobicContact CD2-CD1 4.06Å; W795-L878 HydrophobicContact CE3-CD1 4.33Å; W795-L878 HydrophobicContact CG-CD1 3.96Å; W795-L878 HydrophobicContact CZ2-CB 4.38Å; F801-L878 CarbonylContact C-O 3.34Å; F801-L878 WeakPolarHBondContact CA-O 3.14Å; F801-L878 VanDerWaalsContact CD2-O 3.31Å; F801-L878 WeakPolarHBondContact CD2-O 3.12Å; L802-L878 HydrophobicContact CB-CB 4.32Å; L802-L878 HydrophobicContact CD2-CD1 4.38Å; L802-L878 PolarHBondContact N-O 3.04Å; L802-L878 PolarHBondContact O-N 3.07Å; L878-H893 HydrophobicContact CD1-CB 4.05Å; L878-H893 HydrophobicContact CD2-CB 4.2Å; L878-H893 WeakPolarHBondContact CD2-ND1 3.48Å; L878-F895 HydrophobicContact CG-CE1 4.47Å |
| 879 | R | 98.4 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -111.1 | 173.2 | 167.7 | -73.5 | 170.6 | 56.9 | 94.6 | -4.3 | 109.7 | G521 T524 T525 D722 D728 D731 W795 K800 F801 D889 | G521-R879 WeakPolarHBondContact O-CD 3.41Å; T524-R879 HydrophobicContact CG2-CG 3.98Å; T525-R879 WeakPolarHBondContact OG1-CD 3.38Å; T525-R879 PolarHBondContact OG1-NE 2.67Å; T525-R879 VanDerWaalsContact OG1-NE 3.07Å; D722-R879 IonicContact OD1-CZ 3.37Å; D722-R879 IonicContact OD1-NH1 2.84Å; D722-R879 PolarHBondContact OD1-NH1 3.29Å; D722-R879 IonicContact OD1-NH2 2.82Å; D722-R879 IonicContact OD2-CZ 3.08Å; D722-R879 IonicContact OD2-NE 2.63Å; D722-R879 PolarHBondContact OD2-NE 3.38Å; D722-R879 IonicContact OD2-NH1 3.37Å; D722-R879 PolarHBondContact OD2-NH1 3.47Å; D722-R879 IonicContact OD2-NH2 3.03Å; D722-R879 PolarHBondContact OD2-NH2 3.4Å; D728-R879 PolarHBondContact O-NH2 2.95Å; D731-R879 PolarHBondContact O-NH1 2.87Å; D731-R879 PolarHBondContact O-NH2 2.8Å; W795-R879 PolarHBondContact NE1-O 3.37Å; K800-R879 CarbonylContact O-C 3.53Å; K800-R879 WeakPolarHBondContact O-CA 3.18Å; F801-R879 HydrophobicContact CB-CG 4.48Å; F801-R879 HydrophobicContact CD1-CG 4.04Å; F801-R879 HydrophobicContact CD2-CG 3.71Å; F801-R879 HydrophobicContact CE1-CG 4.09Å; F801-R879 HydrophobicContact CE2-CG 3.78Å; F801-R879 HydrophobicContact CG-CG 3.84Å; F801-R879 HydrophobicContact CZ-CG 3.95Å; R879-D889 WeakPolarHBondContact O-CB 3.32Å | ||
| 880 | A | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.137 | C | C | . | . | trans | -141.3 | 54.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | W795 E797 H799 K800 M890 | W795-A880 HydrophobicContact CZ2-CB 3.99Å; E797-A880 HydrophobicContact CB-CB 4.18Å; H799-A880 PolarHBondContact N-O 2.84Å; K800-A880 PolarHBondContact O-N 3.48Å; A880-M890 HydrophobicContact CB-CE 3.66Å | ||
| 881 | P | 97.9 | Very high | 97.5 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | trans | -65.9 | 166.5 | 175.6 | 32.3 | -33.5 | 0 | 0 | 0 | 110.5 | T525 D728 A729 A888 | T525-P881 HydrophobicContact CG2-CG 3.68Å; D728-P881 HydrophobicContact CB-CB 4.29Å; D728-P881 WeakPolarHBondContact OD1-CA 3.35Å; D728-P881 WeakPolarHBondContact OD1-CB 3.43Å; A729-P881 HydrophobicContact CB-CB 4.25Å; A729-P881 HydrophobicContact CB-CG 4.18Å; P881-A888 HydrophobicContact CG-CB 3.77Å | ||
| 882 | K | 96.3 | Very high | 97.5 | Very high | 47 Ų | 47 | 23.3 Ų | 23.3 | 20% | 0.204 | 14% | 0.143 | C | C | . | . | trans | -128 | 4.3 | -178.6 | -57.7 | -62.4 | 164.6 | -156.9 | 0 | 113.9 | D728 E797 S798 H799 D885 A886 M890 | D728-K882 PolarHBondContact OD2-N 3.08Å; E797-K882 PolarHBondContact O-NZ 2.67Å; S798-K882 WeakPolarHBondContact OG-CE 3.47Å; H799-K882 VanDerWaalsContact CE1-CG 3.42Å; H799-K882 WeakPolarHBondContact CE1-CG 3.45Å; K882-D885 CarbonylContact C-O 3.55Å; K882-D885 VanDerWaalsContact C-O 3.23Å; K882-D885 WeakPolarHBondContact CA-O 3.47Å; K882-A886 WeakPolarHBondContact CD-O 3.39Å; K882-M890 VanDerWaalsContact NZ-CE 3.33Å; K882-M890 PolarHBondContact NZ-SD 3.33Å | ||
| 883 | A | 96.2 | Very high | 97.5 | Very high | 8 Ų | 8 | 22.3 Ų | 22.3 | 7% | 0.066 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -144.3 | 131.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | I162 D728 A729 | I162-A883 HydrophobicContact CG1-CB 4.46Å; I162-A883 WeakPolarHBondContact O-CB 3.41Å; D728-A883 HydrophobicContact CB-CB 4.09Å; D728-A883 PolarHBondContact OD2-N 3.02Å; A729-A883 WeakPolarHBondContact CB-O 3.43Å; A729-A883 PolarHBondContact N-O 2.93Å |
| 884 | P | 96.8 | Very high | 97.5 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.013 | 16% | 0.156 | C | C | . | . | S | Bend | cis | -89.9 | -6.6 | 9.4 | 35.4 | -30.9 | 0 | 0 | 0 | 114.7 | I162 A164 L266 C584 I585 W730 | I162-P884 WeakPolarHBondContact O-CA 3.48Å; I162-P884 VanDerWaalsContact O-CB 3.22Å; I162-P884 WeakPolarHBondContact O-CB 3.37Å; A164-P884 VanDerWaalsContact CA-O 3.24Å; A164-P884 WeakPolarHBondContact CA-O 2.98Å; L266-P884 HydrophobicContact CD2-CB 3.8Å; L266-P884 HydrophobicContact CD2-CG 4.39Å; C584-P884 VanDerWaalsContact C-CG 3.48Å; C584-P884 WeakPolarHBondContact O-CG 3.31Å; I585-P884 HydrophobicContact CG2-CB 4.01Å; W730-P884 HydrophobicContact CH2-CG 3.95Å; W730-P884 HydrophobicContact CZ3-CG 4.05Å |
| 885 | D | 96.8 | Very high | 97.5 | Very high | 17 Ų | 17 | 26.3 Ų | 26.3 | 9% | 0.091 | 15% | 0.154 | C | C | . | . | trans | -101.2 | 121.4 | 169.1 | -174.1 | -8 | 0 | 0 | 0 | 110.5 | G586 K882 T887 A888 | G586-D885 VanDerWaalsContact CA-OD2 3.31Å; G586-D885 WeakPolarHBondContact CA-OD2 3.35Å; K882-D885 CarbonylContact C-O 3.55Å; K882-D885 VanDerWaalsContact C-O 3.23Å; K882-D885 WeakPolarHBondContact CA-O 3.47Å; D885-T887 PolarHBondContact O-N 2.84Å; D885-T887 WeakPolarHBondContact OD1-CA 2.96Å; D885-T887 PolarHBondContact OD1-N 2.84Å; D885-T887 PolarHBondContact OD1-OG1 2.83Å; D885-A888 HydrophobicContact CB-CB 4.1Å; D885-A888 PolarHBondContact O-N 2.93Å; D885-A888 PolarHBondContact OD1-N 3.42Å | ||
| 886 | A | 95.1 | Very high | 97.5 | Very high | 53 Ų | 53 | 27.5 Ų | 27.5 | 44% | 0.438 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69 | -19.8 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | A164 K882 | A164-A886 HydrophobicContact CB-CB 4.22Å; K882-A886 WeakPolarHBondContact CD-O 3.39Å |
| 887 | T | 95.6 | Very high | 97.5 | Very high | 91 Ų | 91 | 27.5 Ų | 27.5 | 56% | 0.558 | 16% | 0.161 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | 14.9 | -178.1 | 44.9 | 0 | 0 | 0 | 0 | 113.2 | D885 D889 M890 | D885-T887 PolarHBondContact O-N 2.84Å; D885-T887 WeakPolarHBondContact OD1-CA 2.96Å; D885-T887 PolarHBondContact OD1-N 2.84Å; D885-T887 PolarHBondContact OD1-OG1 2.83Å; T887-D889 PolarHBondContact O-N 3.49Å; T887-M890 VanDerWaalsContact O-CB 3.3Å; T887-M890 WeakPolarHBondContact O-CB 3.38Å; T887-M890 VanDerWaalsContact O-CG 3.26Å; T887-M890 WeakPolarHBondContact O-CG 3.48Å; T887-M890 PolarHBondContact O-N 3.49Å |
| 888 | A | 97 | Very high | 97.5 | Very high | 2 Ų | 2 | 27.5 Ų | 27.5 | 2% | 0.017 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -46.6 | 127.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | E526 P881 D885 M890 | E526-A888 VanDerWaalsContact OE1-CA 3.28Å; E526-A888 WeakPolarHBondContact OE1-CA 3.45Å; E526-A888 WeakPolarHBondContact OE1-CB 3.34Å; P881-A888 HydrophobicContact CG-CB 3.77Å; D885-A888 HydrophobicContact CB-CB 4.1Å; D885-A888 PolarHBondContact O-N 2.93Å; D885-A888 PolarHBondContact OD1-N 3.42Å; A888-M890 WeakPolarHBondContact O-CE 3.2Å; A888-M890 PolarHBondContact O-N 2.8Å |
| 889 | D | 97.3 | Very high | 97.5 | Very high | 8 Ų | 8 | 27.5 Ų | 27.5 | 4% | 0.043 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 55.1 | 8.5 | -176.7 | -71 | -47.3 | 0 | 0 | 0 | 116.4 | E526 A527 W795 R879 T887 G891 H893 | E526-D889 VanDerWaalsContact CA-OD1 3.26Å; E526-D889 WeakPolarHBondContact CA-OD1 3.29Å; E526-D889 PolarHBondContact N-OD1 3.4Å; E526-D889 PolarHBondContact N-OD2 3.07Å; A527-D889 PolarHBondContact N-OD1 2.72Å; W795-D889 VanDerWaalsContact CD1-O 3.24Å; R879-D889 WeakPolarHBondContact O-CB 3.32Å; T887-D889 PolarHBondContact O-N 3.49Å; D889-G891 PolarHBondContact O-N 2.92Å; D889-H893 PolarHBondContact O-NE2 3.37Å; D889-H893 IonicContact OD1-CE1 2.85Å; D889-H893 PolarHBondContact OD1-CE1 2.96Å |
| 890 | M | 97.2 | Very high | 97.5 | Very high | 58 Ų | 58 | 27.7 Ų | 27.7 | 29% | 0.286 | 16% | 0.162 | S | C | . | . | trans | -71.2 | 129.5 | 177.8 | -58.6 | -64.9 | 101.9 | 0 | 0 | 110.4 | W795 E797 A880 K882 T887 A888 | W795-M890 WeakPolarHBondContact O-CA 3.23Å; E797-M890 WeakPolarHBondContact O-CE 3.27Å; A880-M890 HydrophobicContact CB-CE 3.66Å; K882-M890 VanDerWaalsContact NZ-CE 3.33Å; K882-M890 PolarHBondContact NZ-SD 3.33Å; T887-M890 VanDerWaalsContact O-CB 3.3Å; T887-M890 WeakPolarHBondContact O-CB 3.38Å; T887-M890 VanDerWaalsContact O-CG 3.26Å; T887-M890 WeakPolarHBondContact O-CG 3.48Å; T887-M890 PolarHBondContact O-N 3.49Å; A888-M890 WeakPolarHBondContact O-CE 3.2Å; A888-M890 PolarHBondContact O-N 2.8Å | ||
| 891 | G | 96.7 | Very high | 97.5 | Very high | 33 Ų | 33 | 27.8 Ų | 27.8 | 34% | 0.34 | 16% | 0.163 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 129.1 | -150.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | W795 D889 | W795-G891 PolarHBondContact N-O 2.71Å; W795-G891 PolarHBondContact O-N 2.97Å; D889-G891 PolarHBondContact O-N 2.92Å |
| 892 | D | 97.9 | Very high | 97.5 | Very high | 124 Ų | 124 | 28.1 Ų | 28.1 | 66% | 0.663 | 16% | 0.164 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 124.1 | -175.5 | -72.1 | -58.2 | 0 | 0 | 0 | 111.9 | Q794 | Q794-D892 WeakPolarHBondContact CG-OD1 3.27Å |
| 893 | H | 98.6 | Very high | 97.6 | Very high | 14 Ų | 14 | 29.7 Ų | 29.7 | 7% | 0.065 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 143 | 176.2 | -69.6 | -90.3 | 0 | 0 | 0 | 111.6 | K792 V793 L878 D889 F895 | K792-H893 CarbonylContact C-O 3.57Å; K792-H893 VanDerWaalsContact CA-O 3.26Å; K792-H893 WeakPolarHBondContact CA-O 3.38Å; V793-H893 HydrophobicContact CB-CB 4.38Å; V793-H893 PolarHBondContact N-O 3.26Å; V793-H893 PolarHBondContact O-N 2.95Å; L878-H893 HydrophobicContact CD1-CB 4.05Å; L878-H893 HydrophobicContact CD2-CB 4.2Å; L878-H893 WeakPolarHBondContact CD2-ND1 3.48Å; D889-H893 PolarHBondContact O-NE2 3.37Å; D889-H893 IonicContact OD1-CE1 2.85Å; D889-H893 PolarHBondContact OD1-CE1 2.96Å; H893-F895 HydrophobicContact CB-CD1 4.31Å; H893-F895 HydrophobicContact CB-CE1 4.19Å |
| 894 | Q | 98.2 | Very high | 97.5 | Very high | 91 Ų | 91 | 30.3 Ų | 30.3 | 43% | 0.425 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 126.5 | 173.4 | -55.9 | -170.8 | 2.3 | 0 | 0 | 110.4 | R531 T791 K792 | R531-Q894 VanDerWaalsContact CD-O 3.29Å; R531-Q894 WeakPolarHBondContact CD-O 3.42Å; R531-Q894 PolarHBondContact NE-O 3.29Å; R531-Q894 VanDerWaalsContact NE-O 3.16Å; T791-Q894 WeakPolarHBondContact O-CA 3.49Å; K792-Q894 HydrophobicContact CG-CG 4.09Å |
| 895 | F | 98.4 | Very high | 97.5 | Very high | 4 Ų | 4 | 32 Ų | 32 | 2% | 0.018 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 163.9 | -180 | 52.8 | -95.6 | 0 | 0 | 0 | 111.3 | T791 V793 S862 K863 L877 L878 H893 Y897 | T791-F895 HydrophobicContact CG2-CE2 3.8Å; T791-F895 HydrophobicContact CG2-CZ 3.76Å; T791-F895 PolarHBondContact N-O 3.01Å; T791-F895 PolarHBondContact O-N 3.45Å; T791-F895 VanDerWaalsContact O-N 3.11Å; V793-F895 HydrophobicContact CG2-CE1 3.99Å; V793-F895 HydrophobicContact CG2-CZ 3.96Å; S862-F895 WeakPolarHBondContact OG-CB 3.17Å; K863-F895 VanDerWaalsContact CE-CD1 3.47Å; K863-F895 VanDerWaalsContact CE-CG 3.44Å; L877-F895 HydrophobicContact CB-CE2 4.42Å; L877-F895 HydrophobicContact CB-CZ 4.01Å; L877-F895 HydrophobicContact CD1-CE2 4.1Å; L877-F895 HydrophobicContact CD1-CZ 4.06Å; L877-F895 HydrophobicContact CD2-CD2 4.42Å; L877-F895 HydrophobicContact CD2-CE2 3.64Å; L877-F895 HydrophobicContact CD2-CZ 4.11Å; L877-F895 HydrophobicContact CG-CE2 4.27Å; L877-F895 HydrophobicContact CG-CZ 4.28Å; L878-F895 HydrophobicContact CG-CE1 4.47Å; H893-F895 HydrophobicContact CB-CD1 4.31Å; H893-F895 HydrophobicContact CB-CE1 4.19Å; F895-Y897 HydrophobicContact CD2-CD1 4.2Å; F895-Y897 HydrophobicContact CE2-CD1 4.13Å; F895-Y897 HydrophobicContact CE2-CE1 4.08Å |
| 896 | T | 98.6 | Very high | 97.5 | Very high | 26 Ų | 26 | 31.9 Ų | 31.9 | 16% | 0.16 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 134.3 | -177.6 | -42.9 | 0 | 0 | 0 | 0 | 110.3 | F789 N790 D861 L918 | F789-T896 WeakPolarHBondContact O-CA 3.38Å; N790-T896 WeakPolarHBondContact OD1-CG2 3.31Å; D861-T896 VanDerWaalsContact CG-O 3.3Å; D861-T896 PolarHBondContact N-O 2.85Å; D861-T896 PolarHBondContact OD1-N 2.86Å; D861-T896 VanDerWaalsContact OD1-O 3.08Å; D861-T896 WeakPolarHBondContact OD2-CB 3.4Å; D861-T896 PolarHBondContact OD2-N 2.95Å; D861-T896 PolarHBondContact OD2-OG1 3.05Å; T896-L918 HydrophobicContact CG2-CD1 4.18Å |
| 897 | Y | 98.9 | Very high | 97.6 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 166.2 | 162.8 | 58.3 | -90.5 | 0 | 0 | 0 | 109.7 | N715 F717 Q776 F789 T791 V804 F806 L858 L859 L875 L877 F895 | N715-Y897 PolarHBondContact OD1-OH 3.2Å; F717-Y897 WeakPolarHBondContact CZ-OH 3.43Å; Q776-Y897 PolarHBondContact NE2-OH 2.58Å; F789-Y897 HydrophobicContact CB-CD1 4.21Å; F789-Y897 HydrophobicContact CB-CD2 3.76Å; F789-Y897 HydrophobicContact CB-CE1 3.96Å; F789-Y897 HydrophobicContact CB-CE2 3.43Å; F789-Y897 VanDerWaalsContact CB-CE2 3.43Å; F789-Y897 HydrophobicContact CB-CG 4.13Å; F789-Y897 HydrophobicContact CD1-CE2 4.09Å; F789-Y897 AromaticContact CD2-CD2 3.38Å; F789-Y897 HydrophobicContact CD2-CD2 3.38Å; F789-Y897 AromaticContact CD2-CE2 3.32Å; F789-Y897 HydrophobicContact CD2-CE2 3.32Å; F789-Y897 HydrophobicContact CD2-CG 4.37Å; F789-Y897 WeakPolarHBondContact CD2-O 3.35Å; F789-Y897 HydrophobicContact CE2-CD2 4.24Å; F789-Y897 HydrophobicContact CE2-CE2 4.1Å; F789-Y897 AromaticContact CG-CD2 3.79Å; F789-Y897 HydrophobicContact CG-CD2 3.79Å; F789-Y897 AromaticContact CG-CE2 3.33Å; F789-Y897 HydrophobicContact CG-CE2 3.33Å; F789-Y897 AromaticContact CG-CZ 3.88Å; F789-Y897 PolarHBondContact N-O 3.03Å; F789-Y897 PolarHBondContact O-N 2.81Å; T791-Y897 WeakPolarHBondContact OG1-CE1 3.14Å; V804-Y897 HydrophobicContact CG1-CE1 4.21Å; V804-Y897 HydrophobicContact CG1-CE2 4.13Å; V804-Y897 HydrophobicContact CG2-CE2 4.33Å; F806-Y897 HydrophobicContact CE2-CD2 4.29Å; F806-Y897 AromaticContact CE2-CE2 3.97Å; F806-Y897 HydrophobicContact CE2-CE2 3.97Å; F806-Y897 HydrophobicContact CZ-CD2 4.25Å; F806-Y897 AromaticContact CZ-CE2 3.76Å; F806-Y897 HydrophobicContact CZ-CE2 3.76Å; L858-Y897 HydrophobicContact CD1-CD2 4.35Å; L859-Y897 CarbonylContact O-C 3.2Å; L859-Y897 WeakPolarHBondContact O-CA 3.41Å; L859-Y897 VanDerWaalsContact O-CB 3.22Å; L859-Y897 WeakPolarHBondContact O-CB 3.4Å; L875-Y897 HydrophobicContact CD2-CD1 4.27Å; L875-Y897 HydrophobicContact CD2-CG 4.06Å; L877-Y897 HydrophobicContact CD2-CD1 4.41Å; L877-Y897 HydrophobicContact CD2-CE1 4.41Å; F895-Y897 HydrophobicContact CD2-CD1 4.2Å; F895-Y897 HydrophobicContact CE2-CD1 4.13Å; F895-Y897 HydrophobicContact CE2-CE1 4.08Å |
| 898 | A | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 151.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112 | Y786 V787 K788 L859 L918 | Y786-A898 HydrophobicContact CD2-CB 3.58Å; Y786-A898 HydrophobicContact CE2-CB 4.19Å; Y786-A898 HydrophobicContact CG-CB 4.19Å; V787-A898 WeakPolarHBondContact O-CA 3.12Å; V787-A898 WeakPolarHBondContact O-CB 3.25Å; K788-A898 HydrophobicContact CG-CB 4.29Å; L859-A898 HydrophobicContact CB-CB 4.17Å; L859-A898 HydrophobicContact CD1-CB 4.27Å; L859-A898 PolarHBondContact N-O 2.73Å; L859-A898 PolarHBondContact O-N 2.88Å; A898-L918 HydrophobicContact CB-CD2 4.36Å |
| 899 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 128.4 | 176.6 | -163.4 | 74.8 | 0 | 0 | 0 | 109.5 | L695 L698 Y786 V787 F789 F806 V856 T857 L858 | L695-I899 HydrophobicContact CD1-CG2 4.3Å; L698-I899 HydrophobicContact CD2-CB 4.44Å; L698-I899 HydrophobicContact CD2-CG1 3.98Å; L698-I899 HydrophobicContact CD2-CG2 3.6Å; Y786-I899 WeakPolarHBondContact CA-O 3.42Å; Y786-I899 VanDerWaalsContact CB-O 3.3Å; Y786-I899 WeakPolarHBondContact CB-O 3.16Å; V787-I899 HydrophobicContact CB-CG2 4.2Å; V787-I899 PolarHBondContact N-O 2.93Å; V787-I899 VanDerWaalsContact N-O 3.09Å; V787-I899 PolarHBondContact O-N 2.74Å; V787-I899 VanDerWaalsContact O-N 3.1Å; F789-I899 HydrophobicContact CE2-CB 4.15Å; F789-I899 HydrophobicContact CE2-CG2 3.73Å; F789-I899 HydrophobicContact CZ-CG2 3.97Å; F806-I899 HydrophobicContact CB-CD1 4.27Å; F806-I899 HydrophobicContact CD1-CB 4.42Å; F806-I899 HydrophobicContact CD1-CD1 3.9Å; F806-I899 HydrophobicContact CD1-CG1 4.02Å; F806-I899 HydrophobicContact CD2-CD1 4.38Å; F806-I899 HydrophobicContact CE1-CB 4.08Å; F806-I899 HydrophobicContact CE1-CD1 4.31Å; F806-I899 HydrophobicContact CE1-CG1 4.19Å; F806-I899 HydrophobicContact CE1-CG2 4.24Å; F806-I899 HydrophobicContact CG-CD1 3.93Å; V856-I899 HydrophobicContact CG1-CD1 3.49Å; V856-I899 VanDerWaalsContact CG1-CD1 3.49Å; V856-I899 HydrophobicContact CG1-CG1 3.69Å; T857-I899 WeakPolarHBondContact O-CA 3.27Å; L858-I899 HydrophobicContact CB-CD1 4.33Å; L858-I899 HydrophobicContact CD1-CD1 4.16Å |
| 900 | M | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 97.8 | -172.5 | -175.3 | 171.9 | 166.7 | 0 | 0 | 110.3 | P785 Y786 V856 T857 A909 V911 C914 | P785-M900 HydrophobicContact CB-CE 4.14Å; P785-M900 HydrophobicContact CG-CE 3.91Å; P785-M900 HydrophobicContact CG-SD 4.31Å; Y786-M900 HydrophobicContact CD1-SD 4.21Å; V856-M900 WeakPolarHBondContact CA-O 3.43Å; T857-M900 PolarHBondContact N-O 2.77Å; T857-M900 PolarHBondContact O-N 3.22Å; M900-A909 WeakPolarHBondContact CE-O 3.43Å; M900-V911 HydrophobicContact CE-CG2 4.17Å; M900-V911 HydrophobicContact SD-CG2 4.2Å; M900-C914 HydrophobicContact SD-CB 3.87Å |
| 901 | P | 98.4 | Very high | 97.6 | Very high | 3 Ų | 3 | 33 Ų | 33 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 140.4 | 167.5 | 33.8 | -32.9 | 0 | 0 | 0 | 109.4 | L685 L698 A707 F854 G855 V856 | L685-P901 HydrophobicContact CD2-CG 3.47Å; L685-P901 VanDerWaalsContact CD2-CG 3.47Å; L698-P901 HydrophobicContact CD1-CG 4.13Å; L698-P901 HydrophobicContact CD2-CG 4.21Å; L698-P901 HydrophobicContact CG-CG 4.02Å; A707-P901 HydrophobicContact CB-CB 3.86Å; F854-P901 HydrophobicContact CE2-CB 4.19Å; F854-P901 HydrophobicContact CZ-CB 4.09Å; G855-P901 WeakPolarHBondContact O-CA 3.45Å; V856-P901 HydrophobicContact CG2-CB 4.47Å |
| 902 | H | 98.3 | Very high | 97.6 | Very high | 6 Ų | 6 | 31.6 Ų | 31.6 | 3% | 0.028 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 163.3 | -175.7 | 67.4 | 79.6 | 0 | 0 | 0 | 113.2 | D848 S850 F854 G855 T857 A909 | D848-H902 IonicContact OD1-CD2 3.45Å; D848-H902 IonicContact OD1-CE1 2.77Å; D848-H902 IonicContact OD1-NE2 3.94Å; D848-H902 PolarHBondContact OD1-NE2 2.8Å; S850-H902 PolarHBondContact OG-CE1 2.81Å; S850-H902 VanDerWaalsContact OG-CE1 3.27Å; S850-H902 PolarHBondContact OG-NE2 3.46Å; F854-H902 WeakPolarHBondContact CA-O 3.48Å; F854-H902 WeakPolarHBondContact CD2-O 3.37Å; G855-H902 PolarHBondContact N-O 2.61Å; G855-H902 PolarHBondContact O-N 3.05Å; T857-H902 PolarHBondContact OG1-CD2 3.31Å; T857-H902 PolarHBondContact OG1-NE2 2.77Å; H902-A909 HydrophobicContact CB-CB 3.48Å; H902-A909 VanDerWaalsContact CB-CB 3.48Å |
| 903 | L | 97.3 | Very high | 97.6 | Very high | 80 Ų | 80 | 26.4 Ų | 26.4 | 42% | 0.419 | 15% | 0.151 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 149.6 | 172.9 | -63.1 | 172.3 | 0 | 0 | 0 | 109.8 | L700 A703 N853 F854 | L700-L903 HydrophobicContact CD2-CD1 4.22Å; L700-L903 HydrophobicContact CD2-CD2 4.02Å; L700-L903 HydrophobicContact CD2-CG 3.61Å; A703-L903 HydrophobicContact CB-CD1 4.05Å; A703-L903 HydrophobicContact CB-CD2 3.79Å; A703-L903 HydrophobicContact CB-CG 4.44Å; N853-L903 WeakPolarHBondContact O-CA 3.2Å; F854-L903 HydrophobicContact CD2-CD2 4.2Å |
| 904 | G | 94.9 | Very high | 97.6 | Very high | 22 Ų | 22 | 26.5 Ų | 26.5 | 23% | 0.227 | 15% | 0.153 | C | C | . | . | S | Bend | trans | 75.6 | -154.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | N853 | N853-G904 PolarHBondContact O-N 3.47Å; N853-G904 VanDerWaalsContact O-N 3.16Å |
| 905 | S | 95.9 | Very high | 97.6 | Very high | 37 Ų | 37 | 22.1 Ų | 22.1 | 26% | 0.259 | 13% | 0.132 | S | C | . | . | trans | -83 | 159.6 | 174.8 | 70.3 | 0 | 0 | 0 | 0 | 111 | Q907 D908 A909 | S905-Q907 PolarHBondContact O-N 2.8Å; S905-Q907 PolarHBondContact OG-OE1 3.3Å; S905-D908 PolarHBondContact O-N 3.31Å; S905-D908 PolarHBondContact OG-N 3.02Å; S905-D908 PolarHBondContact OG-OD2 3.09Å; S905-A909 VanDerWaalsContact O-CB 3.26Å; S905-A909 WeakPolarHBondContact O-CB 3.2Å; S905-A909 PolarHBondContact O-N 3.38Å | ||
| 906 | F | 97.3 | Very high | 97.6 | Very high | 14 Ų | 14 | 22.2 Ų | 22.2 | 6% | 0.061 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -29.3 | 175.2 | 66.8 | -93.7 | 0 | 0 | 0 | 112.2 | T816 H823 W846 D848 S910 V911 | T816-F906 HydrophobicContact CG2-CE1 3.94Å; T816-F906 HydrophobicContact CG2-CZ 4Å; H823-F906 AromaticContact CD2-CE2 3.21Å; H823-F906 WeakPolarHBondContact CD2-CE2 3.42Å; H823-F906 AromaticContact CD2-CZ 3.31Å; H823-F906 WeakPolarHBondContact CD2-CZ 3.44Å; H823-F906 AromaticContact CE1-CZ 3.88Å; H823-F906 AromaticContact NE2-CE2 3.22Å; H823-F906 WeakPolarHBondContact NE2-CE2 3.5Å; H823-F906 AromaticContact NE2-CZ 3.08Å; H823-F906 WeakPolarHBondContact NE2-CZ 3.41Å; W846-F906 AromaticContact CH2-CD2 3.6Å; W846-F906 HydrophobicContact CH2-CD2 3.6Å; W846-F906 AromaticContact CH2-CE2 3.62Å; W846-F906 HydrophobicContact CH2-CE2 3.62Å; W846-F906 HydrophobicContact CH2-CG 4.18Å; W846-F906 HydrophobicContact CH2-CZ 4.17Å; W846-F906 HydrophobicContact CZ2-CD2 4.13Å; W846-F906 HydrophobicContact CZ2-CE2 4.13Å; W846-F906 HydrophobicContact CZ3-CD2 4.22Å; W846-F906 HydrophobicContact CZ3-CG 4.39Å; D848-F906 HydrophobicContact CB-CB 4.33Å; F906-S910 PolarHBondContact O-N 3.3Å; F906-V911 HydrophobicContact CB-CB 3.92Å; F906-V911 HydrophobicContact CB-CG1 4.34Å; F906-V911 HydrophobicContact CB-CG2 3.75Å; F906-V911 VanDerWaalsContact O-CB 3.28Å; F906-V911 WeakPolarHBondContact O-CB 3.37Å; F906-V911 WeakPolarHBondContact O-CG2 3.21Å; F906-V911 PolarHBondContact O-N 3Å |
| 907 | Q | 96.4 | Very high | 97.5 | Very high | 36 Ų | 36 | 21.7 Ų | 21.7 | 17% | 0.168 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -54.1 | 174.2 | -66.3 | 97.6 | -27.9 | 0 | 0 | 111.6 | S905 A909 S910 H967 | S905-Q907 PolarHBondContact O-N 2.8Å; S905-Q907 PolarHBondContact OG-OE1 3.3Å; Q907-A909 VanDerWaalsContact C-N 3.3Å; Q907-A909 PolarHBondContact O-N 3.44Å; Q907-S910 PolarHBondContact O-N 2.98Å; Q907-H967 HydrophobicContact CB-CB 4.42Å; Q907-H967 HydrophobicContact CG-CB 3.74Å; Q907-H967 PolarHBondContact NE2-O 2.94Å; Q907-H967 VanDerWaalsContact NE2-O 3.1Å |
| 908 | D | 95.3 | Very high | 97.4 | Very high | 128 Ų | 128 | 23.1 Ų | 23.1 | 68% | 0.684 | 14% | 0.138 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -31 | -177.3 | -65.3 | -27.4 | 0 | 0 | 0 | 111.6 | S905 S910 | S905-D908 PolarHBondContact O-N 3.31Å; S905-D908 PolarHBondContact OG-N 3.02Å; S905-D908 PolarHBondContact OG-OD2 3.09Å; D908-S910 PolarHBondContact O-N 2.83Å |
| 909 | A | 96.5 | Very high | 97.4 | Very high | 22 Ų | 22 | 23.9 Ų | 23.9 | 18% | 0.182 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | M900 H902 S905 Q907 V911 | M900-A909 WeakPolarHBondContact CE-O 3.43Å; H902-A909 HydrophobicContact CB-CB 3.48Å; H902-A909 VanDerWaalsContact CB-CB 3.48Å; S905-A909 VanDerWaalsContact O-CB 3.26Å; S905-A909 WeakPolarHBondContact O-CB 3.2Å; S905-A909 PolarHBondContact O-N 3.38Å; Q907-A909 VanDerWaalsContact C-N 3.3Å; Q907-A909 PolarHBondContact O-N 3.44Å; A909-V911 VanDerWaalsContact C-N 3.27Å; A909-V911 HydrophobicContact CB-CG2 4.16Å; A909-V911 PolarHBondContact O-N 2.97Å |
| 910 | S | 96.6 | Very high | 97.3 | Very high | 50 Ų | 50 | 24.4 Ų | 24.4 | 35% | 0.35 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.2 | 33.1 | -178.3 | -52.2 | 0 | 0 | 0 | 0 | 114.1 | F906 Q907 D908 I912 Q913 C914 | F906-S910 PolarHBondContact O-N 3.3Å; Q907-S910 PolarHBondContact O-N 2.98Å; D908-S910 PolarHBondContact O-N 2.83Å; S910-I912 VanDerWaalsContact C-N 3.29Å; S910-I912 PolarHBondContact O-N 3.32Å; S910-Q913 VanDerWaalsContact C-OE1 3.28Å; S910-Q913 PolarHBondContact O-N 3.43Å; S910-Q913 PolarHBondContact O-OE1 2.94Å; S910-C914 PolarHBondContact O-N 2.92Å; S910-C914 PolarHBondContact O-SG 3.24Å |
| 911 | V | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -59.5 | -42 | 178.9 | 163.3 | 0 | 0 | 0 | 0 | 111.3 | W846 T857 L859 M900 F906 A909 Q913 C914 A915 | W846-V911 HydrophobicContact CD2-CG1 3.85Å; W846-V911 HydrophobicContact CE3-CG1 4.05Å; W846-V911 HydrophobicContact CG-CG1 4.1Å; T857-V911 HydrophobicContact CG2-CG1 3.5Å; T857-V911 VanDerWaalsContact CG2-CG1 3.5Å; T857-V911 HydrophobicContact CG2-CG2 4.44Å; T857-V911 VanDerWaalsContact OG1-CG2 3.28Å; T857-V911 WeakPolarHBondContact OG1-CG2 3.1Å; L859-V911 HydrophobicContact CD2-CG1 4.36Å; M900-V911 HydrophobicContact CE-CG2 4.17Å; M900-V911 HydrophobicContact SD-CG2 4.2Å; F906-V911 HydrophobicContact CB-CB 3.92Å; F906-V911 HydrophobicContact CB-CG1 4.34Å; F906-V911 HydrophobicContact CB-CG2 3.75Å; F906-V911 VanDerWaalsContact O-CB 3.28Å; F906-V911 WeakPolarHBondContact O-CB 3.37Å; F906-V911 WeakPolarHBondContact O-CG2 3.21Å; F906-V911 PolarHBondContact O-N 3Å; A909-V911 VanDerWaalsContact C-N 3.27Å; A909-V911 HydrophobicContact CB-CG2 4.16Å; A909-V911 PolarHBondContact O-N 2.97Å; V911-Q913 PolarHBondContact O-N 3.24Å; V911-C914 PolarHBondContact O-N 3.14Å; V911-A915 WeakPolarHBondContact O-CB 3.35Å; V911-A915 PolarHBondContact O-N 3.19Å |
| 912 | I | 98.2 | Very high | 97 | Very high | 4 Ų | 4 | 27.6 Ų | 27.6 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.4 | -49.4 | 179.5 | -61.7 | 165 | 0 | 0 | 0 | 109.2 | W846 S910 C914 A915 Y916 V945 S966 | W846-I912 HydrophobicContact CZ2-CG1 4.11Å; S910-I912 VanDerWaalsContact C-N 3.29Å; S910-I912 PolarHBondContact O-N 3.32Å; I912-C914 VanDerWaalsContact C-N 3.34Å; I912-C914 PolarHBondContact O-N 3.47Å; I912-A915 PolarHBondContact O-N 3.14Å; I912-Y916 HydrophobicContact CG2-CD2 4.06Å; I912-Y916 HydrophobicContact CG2-CE2 4.04Å; I912-Y916 WeakPolarHBondContact O-CD2 3.34Å; I912-Y916 PolarHBondContact O-N 3.5Å; I912-V945 HydrophobicContact CG2-CG2 4.37Å; I912-S966 WeakPolarHBondContact CD1-O 3.38Å |
| 913 | Q | 97.8 | Very high | 96.8 | Very high | 15 Ų | 15 | 29.7 Ų | 29.7 | 7% | 0.07 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62 | -41.4 | 178.8 | -64.7 | 78.5 | 0.9 | 0 | 0 | 111.6 | W629 S910 V911 Y916 S917 S942 | W629-Q913 HydrophobicContact CD2-CB 4.13Å; W629-Q913 HydrophobicContact CD2-CG 3.64Å; W629-Q913 HydrophobicContact CE3-CG 3.78Å; W629-Q913 HydrophobicContact CG-CG 4.2Å; W629-Q913 HydrophobicContact CH2-CB 4.35Å; W629-Q913 HydrophobicContact CH2-CG 4.09Å; W629-Q913 VanDerWaalsContact CZ2-CA 3.47Å; W629-Q913 HydrophobicContact CZ2-CB 3.79Å; W629-Q913 HydrophobicContact CZ2-CG 3.94Å; W629-Q913 HydrophobicContact CZ3-CG 4Å; S910-Q913 VanDerWaalsContact C-OE1 3.28Å; S910-Q913 PolarHBondContact O-N 3.43Å; S910-Q913 PolarHBondContact O-OE1 2.94Å; V911-Q913 PolarHBondContact O-N 3.24Å; Q913-Y916 PolarHBondContact O-N 2.68Å; Q913-S917 WeakPolarHBondContact O-CB 3.41Å; Q913-S917 PolarHBondContact O-N 2.87Å; Q913-S942 PolarHBondContact NE2-O 3.33Å |
| 914 | C | 98.2 | Very high | 96.6 | Very high | 15 Ų | 15 | 31 Ų | 31 | 10% | 0.101 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -63.6 | -40.3 | 176.3 | -69.3 | 0 | 0 | 0 | 0 | 112.3 | Y786 L859 M900 S910 V911 I912 S917 L918 | Y786-C914 HydrophobicContact CD1-CB 4.1Å; Y786-C914 HydrophobicContact CE1-CB 3.78Å; L859-C914 HydrophobicContact CD1-CB 4.24Å; M900-C914 HydrophobicContact SD-CB 3.87Å; S910-C914 PolarHBondContact O-N 2.92Å; S910-C914 PolarHBondContact O-SG 3.24Å; V911-C914 PolarHBondContact O-N 3.14Å; I912-C914 VanDerWaalsContact C-N 3.34Å; I912-C914 PolarHBondContact O-N 3.47Å; C914-S917 PolarHBondContact O-N 2.88Å; C914-L918 PolarHBondContact O-N 3.16Å |
| 915 | A | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.5 | -43.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112 | K845 W846 L859 V911 I912 L918 N919 | K845-A915 HydrophobicContact CB-CB 4.03Å; W846-A915 HydrophobicContact CB-CB 4.24Å; W846-A915 VanDerWaalsContact CD1-CB 3.44Å; W846-A915 HydrophobicContact CG-CB 4.13Å; L859-A915 HydrophobicContact CD2-CB 4.07Å; V911-A915 WeakPolarHBondContact O-CB 3.35Å; V911-A915 PolarHBondContact O-N 3.19Å; I912-A915 PolarHBondContact O-N 3.14Å; A915-L918 PolarHBondContact O-N 2.82Å; A915-N919 PolarHBondContact O-N 3.07Å; A915-N919 PolarHBondContact O-ND2 2.98Å |
| 916 | Y | 98 | Very high | 96.2 | Very high | 5 Ų | 5 | 33.4 Ų | 33.4 | 2% | 0.02 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | 172.2 | -88.2 | -90.7 | 0 | 0 | 0 | 111.5 | L627 W629 I912 Q913 L918 N919 Y920 E947 Y964 | L627-Y916 HydrophobicContact CD2-CD1 3.97Å; W629-Y916 HydrophobicContact CH2-CD2 4.05Å; W629-Y916 AromaticContact CH2-CG 3.88Å; W629-Y916 HydrophobicContact CH2-CG 3.88Å; W629-Y916 HydrophobicContact CZ2-CG 4.2Å; I912-Y916 HydrophobicContact CG2-CD2 4.06Å; I912-Y916 HydrophobicContact CG2-CE2 4.04Å; I912-Y916 WeakPolarHBondContact O-CD2 3.34Å; I912-Y916 PolarHBondContact O-N 3.5Å; Q913-Y916 PolarHBondContact O-N 2.68Å; Y916-L918 VanDerWaalsContact C-N 3.25Å; Y916-L918 PolarHBondContact O-N 2.72Å; Y916-N919 PolarHBondContact O-N 2.85Å; Y916-Y920 AromaticContact CD1-CD2 3.8Å; Y916-Y920 HydrophobicContact CD1-CD2 3.8Å; Y916-Y920 AromaticContact CD1-CE2 3.49Å; Y916-Y920 HydrophobicContact CD1-CE2 3.49Å; Y916-Y920 VanDerWaalsContact CD1-CE2 3.49Å; Y916-Y920 AromaticContact CE1-CE2 3.93Å; Y916-Y920 HydrophobicContact CE1-CE2 3.93Å; Y916-Y920 HydrophobicContact CG-CE2 4.46Å; Y916-Y920 VanDerWaalsContact O-CD2 3.3Å; Y916-Y920 WeakPolarHBondContact O-CD2 3.41Å; Y916-Y920 PolarHBondContact O-N 2.83Å; Y916-E947 VanDerWaalsContact CE1-OE2 3.23Å; Y916-E947 WeakPolarHBondContact CE1-OE2 3.44Å; Y916-E947 VanDerWaalsContact OH-CD 3.24Å; Y916-E947 PolarHBondContact OH-OE1 2.86Å; Y916-E947 PolarHBondContact OH-OE2 2.84Å; Y916-Y964 WeakPolarHBondContact CE2-OH 3.3Å; Y916-Y964 PolarHBondContact OH-OH 2.93Å |
| 917 | S | 96.6 | Very high | 95.7 | Very high | 15 Ų | 15 | 32.8 Ų | 32.8 | 11% | 0.105 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.1 | -38.3 | 176.9 | -97.2 | 0 | 0 | 0 | 0 | 113.1 | R631 E633 Q913 C914 N919 | R631-S917 WeakPolarHBondContact CD-OG 3.31Å; E633-S917 WeakPolarHBondContact OE1-CB 3.45Å; E633-S917 PolarHBondContact OE1-OG 2.87Å; Q913-S917 WeakPolarHBondContact O-CB 3.41Å; Q913-S917 PolarHBondContact O-N 2.87Å; C914-S917 PolarHBondContact O-N 2.88Å; S917-N919 VanDerWaalsContact C-N 3.32Å; S917-N919 PolarHBondContact O-N 2.89Å |
| 918 | L | 97.3 | Very high | 95.2 | Very high | 31 Ų | 31 | 36.4 Ų | 36.4 | 16% | 0.162 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -64.1 | -36 | 175.8 | -175.6 | 65.3 | 0 | 0 | 0 | 112.6 | Y786 K788 L859 T896 A898 C914 A915 Y916 | Y786-L918 HydrophobicContact CE2-CD1 4.37Å; K788-L918 HydrophobicContact CD-CD1 4.12Å; K788-L918 HydrophobicContact CG-CD1 4.34Å; L859-L918 HydrophobicContact CB-CD2 3.73Å; T896-L918 HydrophobicContact CG2-CD1 4.18Å; A898-L918 HydrophobicContact CB-CD2 4.36Å; C914-L918 PolarHBondContact O-N 3.16Å; A915-L918 PolarHBondContact O-N 2.82Å; Y916-L918 VanDerWaalsContact C-N 3.25Å; Y916-L918 PolarHBondContact O-N 2.72Å |
| 919 | N | 97.8 | Very high | 94.5 | Very high | 16 Ų | 16 | 34.5 Ų | 34.5 | 9% | 0.086 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -91.8 | -30.8 | -173.6 | -76.7 | -95.3 | 0 | 0 | 0 | 113.2 | R534 T538 K845 N860 D861 A915 Y916 S917 P921 | R534-N919 WeakPolarHBondContact CD-OD1 3.22Å; R534-N919 PolarHBondContact NH1-OD1 2.76Å; T538-N919 WeakPolarHBondContact CG2-O 3.42Å; K845-N919 HydrophobicContact CD-CB 4.4Å; N860-N919 PolarHBondContact O-ND2 3.43Å; D861-N919 WeakPolarHBondContact CA-OD1 3.36Å; A915-N919 PolarHBondContact O-N 3.07Å; A915-N919 PolarHBondContact O-ND2 2.98Å; Y916-N919 PolarHBondContact O-N 2.85Å; S917-N919 VanDerWaalsContact C-N 3.32Å; S917-N919 PolarHBondContact O-N 2.89Å; N919-P921 VanDerWaalsContact O-CD 3.29Å; N919-P921 WeakPolarHBondContact O-CD 3.39Å |
| 920 | Y | 97.4 | Very high | 93.8 | Very high | 10 Ų | 10 | 41 Ų | 41 | 4% | 0.039 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -108.9 | 93.4 | -174.8 | -67.7 | -107.3 | 0 | 0 | 0 | 110.2 | T538 H541 L627 R631 Y916 | T538-Y920 HydrophobicContact CG2-CD1 3.59Å; T538-Y920 HydrophobicContact CG2-CD2 4.46Å; T538-Y920 HydrophobicContact CG2-CE1 3.97Å; T538-Y920 HydrophobicContact CG2-CG 3.86Å; H541-Y920 HydrophobicContact CB-CE1 4.08Å; H541-Y920 AromaticContact CE1-CE1 3.94Å; H541-Y920 AromaticContact CG-CE1 3.67Å; H541-Y920 AromaticContact ND1-CD1 3.69Å; H541-Y920 AromaticContact ND1-CE1 3.49Å; H541-Y920 WeakPolarHBondContact ND1-CE1 3.44Å; L627-Y920 HydrophobicContact CD2-CD1 4.11Å; L627-Y920 HydrophobicContact CD2-CD2 4.23Å; L627-Y920 HydrophobicContact CD2-CG 3.82Å; R631-Y920 VanDerWaalsContact CZ-O 3.27Å; R631-Y920 PolarHBondContact NH1-O 2.79Å; R631-Y920 PolarHBondContact NH2-O 3.38Å; Y916-Y920 AromaticContact CD1-CD2 3.8Å; Y916-Y920 HydrophobicContact CD1-CD2 3.8Å; Y916-Y920 AromaticContact CD1-CE2 3.49Å; Y916-Y920 HydrophobicContact CD1-CE2 3.49Å; Y916-Y920 VanDerWaalsContact CD1-CE2 3.49Å; Y916-Y920 AromaticContact CE1-CE2 3.93Å; Y916-Y920 HydrophobicContact CE1-CE2 3.93Å; Y916-Y920 HydrophobicContact CG-CE2 4.46Å; Y916-Y920 VanDerWaalsContact O-CD2 3.3Å; Y916-Y920 WeakPolarHBondContact O-CD2 3.41Å; Y916-Y920 PolarHBondContact O-N 2.83Å |
| 921 | P | 94.1 | Very high | 93.3 | Very high | 57 Ų | 57 | 39.6 Ų | 39.6 | 37% | 0.37 | 21% | 0.212 | S | C | . | . | P | Polyproline II helix | trans | -69.1 | 148.9 | -176.2 | 29.7 | -35.9 | 0 | 0 | 0 | 111.8 | N919 R923 | N919-P921 VanDerWaalsContact O-CD 3.29Å; N919-P921 WeakPolarHBondContact O-CD 3.39Å; P921-R923 PolarHBondContact O-N 2.97Å |
| 922 | L | 95.4 | Very high | 92.8 | Very high | 17 Ų | 17 | 43 Ų | 43 | 9% | 0.089 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 127.9 | 164.8 | -70.8 | 177 | 0 | 0 | 0 | 110 | V623 N625 R631 E633 V635 A651 | V623-L922 HydrophobicContact CB-CB 4.34Å; V623-L922 HydrophobicContact CG2-CD1 4.43Å; N625-L922 HydrophobicContact CB-CD2 3.58Å; R631-L922 HydrophobicContact CG-CD2 4.46Å; E633-L922 HydrophobicContact CB-CD1 4.06Å; V635-L922 HydrophobicContact CG1-CB 4.05Å; V635-L922 HydrophobicContact CG1-CD1 3.8Å; V635-L922 HydrophobicContact CG1-CG 4.46Å; A651-L922 HydrophobicContact CB-CD1 4.21Å; A651-L922 HydrophobicContact CB-CD2 3.65Å |
| 923 | R | 94.9 | Very high | 92.6 | Very high | 50 Ų | 50 | 46.7 Ų | 46.7 | 19% | 0.189 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.9 | -178.2 | -59.1 | -58.9 | -175.1 | 173 | -0.9 | 110.2 | D542 L607 L611 V623 F624 P921 | D542-R923 IonicContact OD2-CZ 2.72Å; D542-R923 IonicContact OD2-NE 2.68Å; D542-R923 PolarHBondContact OD2-NE 2.96Å; D542-R923 IonicContact OD2-NH2 2.62Å; D542-R923 PolarHBondContact OD2-NH2 3.28Å; L607-R923 HydrophobicContact CD2-CG 4.25Å; L611-R923 HydrophobicContact CD1-CB 4.23Å; V623-R923 CarbonylContact C-O 3.53Å; V623-R923 WeakPolarHBondContact CA-O 3.47Å; F624-R923 HydrophobicContact CB-CB 4.31Å; F624-R923 HydrophobicContact CD1-CB 4.37Å; F624-R923 PolarHBondContact N-O 2.83Å; F624-R923 PolarHBondContact O-N 2.86Å; P921-R923 PolarHBondContact O-N 2.97Å |
| 924 | P | 92.4 | Very high | 92.4 | Very high | 107 Ų | 107 | 47.6 Ų | 47.6 | 70% | 0.695 | 27% | 0.267 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 136 | 175.1 | 28.2 | -33.4 | 0 | 0 | 0 | 110.3 | ||
| 925 | I | 92.1 | Very high | 92.3 | Very high | 8 Ų | 8 | 48.1 Ų | 48.1 | 4% | 0.041 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 153.7 | 175.4 | -176.2 | 170.8 | 0 | 0 | 0 | 108.8 | L611 L614 E615 G622 F624 M656 | L611-I925 HydrophobicContact CB-CD1 4.1Å; L611-I925 HydrophobicContact CB-CG1 4.19Å; L611-I925 HydrophobicContact CD2-CD1 4.1Å; L611-I925 WeakPolarHBondContact O-CD1 3.33Å; L614-I925 HydrophobicContact CB-CD1 4.42Å; E615-I925 HydrophobicContact CB-CD1 4.35Å; E615-I925 HydrophobicContact CG-CD1 4.38Å; G622-I925 VanDerWaalsContact C-CG2 3.48Å; G622-I925 CarbonylContact C-O 3.51Å; G622-I925 VanDerWaalsContact CA-O 3.27Å; G622-I925 WeakPolarHBondContact CA-O 3.13Å; G622-I925 PolarHBondContact N-O 3.31Å; G622-I925 PolarHBondContact O-N 2.82Å; G622-I925 VanDerWaalsContact O-O 3.09Å; F624-I925 HydrophobicContact CB-CG2 4.32Å; M656-I925 HydrophobicContact CE-CD1 4.22Å; M656-I925 HydrophobicContact SD-CD1 4.49Å |
| 926 | Q | 90.7 | Very high | 92.2 | Very high | 102 Ų | 102 | 48.1 Ų | 48.1 | 48% | 0.477 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 117.5 | 169.3 | -62.6 | -61 | -36.5 | 0 | 0 | 109 | G618 S620 | G618-Q926 WeakPolarHBondContact CA-O 3.26Å; S620-Q926 CarbonylContact O-C 3.59Å; S620-Q926 WeakPolarHBondContact O-CA 3.45Å; S620-Q926 PolarHBondContact O-OE1 3.16Å |
| 927 | C | 87.5 | Confident | 92.1 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.007 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 156.8 | 174.6 | -68.4 | 0 | 0 | 0 | 0 | 110.5 | G618 S619 S620 P658 | G618-C927 CarbonylContact C-O 3.6Å; G618-C927 VanDerWaalsContact CA-C 3.46Å; G618-C927 VanDerWaalsContact CA-O 3.31Å; G618-C927 WeakPolarHBondContact CA-O 3.43Å; S619-C927 PolarHBondContact N-O 2.88Å; S620-C927 PolarHBondContact N-O 2.61Å; S620-C927 PolarHBondContact O-N 2.82Å; P658-C927 HydrophobicContact CB-CB 4.44Å |
| 928 | R | 85.7 | Confident | 92.1 | Very high | 111 Ų | 111 | 49.4 Ų | 49.4 | 42% | 0.419 | 28% | 0.28 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 151.1 | 167.4 | -54.5 | 174.7 | -176.9 | 155.5 | 7.8 | 108.9 | P616 D930 S931 | P616-R928 PolarHBondContact O-NE 2.95Å; P616-R928 PolarHBondContact O-NH2 2.89Å; R928-D930 PolarHBondContact O-N 2.84Å; R928-D930 VanDerWaalsContact O-N 3.09Å; R928-S931 VanDerWaalsContact CB-OG 3.3Å; R928-S931 WeakPolarHBondContact CB-OG 3.17Å; R928-S931 PolarHBondContact N-OG 2.97Å; R928-S931 VanDerWaalsContact N-OG 3.11Å; R928-S931 WeakPolarHBondContact O-CB 3.35Å; R928-S931 PolarHBondContact O-N 2.99Å; R928-S931 PolarHBondContact O-OG 2.97Å |
| 929 | P | 80.1 | Confident | 92 | Very high | 88 Ų | 88 | 49.2 Ų | 49.2 | 57% | 0.571 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -33.1 | -179.8 | -28.2 | 35.4 | 0 | 0 | 0 | 114 | ||
| 930 | D | 82.4 | Confident | 91.8 | Very high | 160 Ų | 160 | 52.3 Ų | 52.3 | 86% | 0.856 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | 7.1 | -178.4 | -55.8 | -35.6 | 0 | 0 | 0 | 113.6 | R928 A932 | R928-D930 PolarHBondContact O-N 2.84Å; R928-D930 VanDerWaalsContact O-N 3.09Å; D930-A932 PolarHBondContact O-N 2.89Å |
| 931 | S | 85.3 | Confident | 91.7 | Very high | 19 Ų | 19 | 53.9 Ų | 53.9 | 13% | 0.133 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -65 | 129 | -179.6 | -63.8 | 0 | 0 | 0 | 0 | 110.5 | E615 P658 R928 | E615-S931 PolarHBondContact OE2-OG 2.86Å; P658-S931 WeakPolarHBondContact CG-O 3.25Å; R928-S931 VanDerWaalsContact CB-OG 3.3Å; R928-S931 WeakPolarHBondContact CB-OG 3.17Å; R928-S931 PolarHBondContact N-OG 2.97Å; R928-S931 VanDerWaalsContact N-OG 3.11Å; R928-S931 WeakPolarHBondContact O-CB 3.35Å; R928-S931 PolarHBondContact O-N 2.99Å; R928-S931 PolarHBondContact O-OG 2.97Å |
| 932 | A | 89.1 | Confident | 91.7 | Very high | 73 Ų | 73 | 54.4 Ų | 54.4 | 60% | 0.603 | 32% | 0.318 | S | S | * | . | P | Polyproline II helix | trans | -86.4 | 155.4 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | D930 W934 | D930-A932 PolarHBondContact O-N 2.89Å; A932-W934 PolarHBondContact O-N 2.87Å |
| 933 | P | 92.5 | Very high | 91.8 | Very high | 80 Ų | 80 | 53.9 Ų | 53.9 | 52% | 0.519 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 133.9 | 167.7 | -24 | 34 | 0 | 0 | 0 | 111 | P652 M656 A657 | P652-P933 HydrophobicContact CG-CB 4.45Å; M656-P933 WeakPolarHBondContact O-CA 3.29Å; A657-P933 HydrophobicContact CB-CB 4.1Å; A657-P933 HydrophobicContact CB-CG 4.26Å |
| 934 | W | 94.5 | Very high | 92 | Very high | 35 Ų | 35 | 51.8 Ų | 51.8 | 13% | 0.133 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 140.7 | -177.8 | 172.3 | 71.6 | 0 | 0 | 0 | 110.7 | L549 P652 G655 M656 A932 A936 L979 | L549-W934 HydrophobicContact CD1-CH2 4.38Å; L549-W934 HydrophobicContact CD1-CZ3 4.28Å; L549-W934 HydrophobicContact CD2-CH2 4.36Å; P652-W934 WeakPolarHBondContact CG-O 3.08Å; G655-W934 CarbonylContact C-O 3.59Å; G655-W934 WeakPolarHBondContact CA-O 3.45Å; M656-W934 HydrophobicContact CE-CE3 4.12Å; M656-W934 HydrophobicContact CE-CZ3 4.28Å; M656-W934 HydrophobicContact CG-CB 4.46Å; M656-W934 HydrophobicContact CG-CE3 4.3Å; M656-W934 PolarHBondContact N-O 3.09Å; M656-W934 PolarHBondContact O-N 3.03Å; A932-W934 PolarHBondContact O-N 2.87Å; W934-A936 HydrophobicContact CH2-CB 3.42Å; W934-A936 VanDerWaalsContact CH2-CB 3.42Å; W934-A936 HydrophobicContact CZ2-CB 3.66Å; W934-A936 HydrophobicContact CZ3-CB 4.09Å; W934-L979 HydrophobicContact CH2-CD2 4.37Å; W934-L979 HydrophobicContact CZ2-CD2 3.97Å |
| 935 | S | 96.1 | Very high | 92.2 | Very high | 25 Ų | 25 | 46.7 Ų | 46.7 | 18% | 0.175 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 125.6 | 178 | -179.1 | 0 | 0 | 0 | 0 | 109.1 | S653 F937 D978 | S653-S935 WeakPolarHBondContact O-CA 3.25Å; S653-S935 WeakPolarHBondContact O-CB 3.31Å; S653-S935 PolarHBondContact O-OG 2.62Å; S653-S935 PolarHBondContact OG-OG 2.86Å; S935-F937 PolarHBondContact OG-O 3.14Å; S935-D978 WeakPolarHBondContact O-CB 3.42Å |
| 936 | A | 96.3 | Very high | 92.5 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -75.8 | -38.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | L549 V654 W934 S977 D978 | L549-A936 HydrophobicContact CD1-CB 4.04Å; L549-A936 HydrophobicContact CD2-CB 3.35Å; L549-A936 HydrophobicContact CG-CB 4.31Å; V654-A936 HydrophobicContact CG1-CB 4.2Å; V654-A936 VanDerWaalsContact O-CB 3.23Å; V654-A936 WeakPolarHBondContact O-CB 3.44Å; V654-A936 PolarHBondContact O-N 3.13Å; W934-A936 HydrophobicContact CH2-CB 3.42Å; W934-A936 VanDerWaalsContact CH2-CB 3.42Å; W934-A936 HydrophobicContact CZ2-CB 3.66Å; W934-A936 HydrophobicContact CZ3-CB 4.09Å; A936-S977 VanDerWaalsContact O-CA 3.26Å; A936-S977 WeakPolarHBondContact O-CA 3.46Å; A936-S977 PolarHBondContact O-OG 3.47Å; A936-S977 VanDerWaalsContact O-OG 3.12Å; A936-D978 PolarHBondContact O-N 3.25Å; A936-D978 VanDerWaalsContact O-N 3.11Å |
| 937 | F | 96.8 | Very high | 92.8 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.009 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 140.3 | -177.6 | -63.6 | -77.9 | 0 | 0 | 0 | 111.1 | L549 S653 V654 S935 L946 I949 V961 L975 R976 S977 L979 L1020 | L549-F937 HydrophobicContact CD2-CE2 4.14Å; S653-F937 VanDerWaalsContact CB-O 3.32Å; S653-F937 WeakPolarHBondContact CB-O 3.34Å; S653-F937 PolarHBondContact OG-O 2.68Å; V654-F937 HydrophobicContact CB-CB 4.22Å; V654-F937 HydrophobicContact CB-CD2 4.48Å; V654-F937 HydrophobicContact CG1-CD2 4.07Å; V654-F937 HydrophobicContact CG2-CB 4.19Å; S935-F937 PolarHBondContact OG-O 3.14Å; F937-L946 HydrophobicContact CB-CD2 3.9Å; F937-L946 HydrophobicContact CD2-CD2 4.42Å; F937-L946 HydrophobicContact CG-CD2 4.15Å; F937-I949 HydrophobicContact CD2-CD1 3.83Å; F937-I949 HydrophobicContact CE2-CD1 4.1Å; F937-I949 HydrophobicContact CE2-CG2 4.36Å; F937-V961 HydrophobicContact CZ-CG1 4.31Å; F937-L975 HydrophobicContact CB-CD1 4.15Å; F937-L975 HydrophobicContact CD1-CD1 3.87Å; F937-L975 HydrophobicContact CD1-CD2 4.44Å; F937-L975 HydrophobicContact CD1-CG 4.23Å; F937-L975 HydrophobicContact CG-CD1 4.36Å; F937-R976 VanDerWaalsContact CA-O 3.25Å; F937-R976 WeakPolarHBondContact CA-O 3.25Å; F937-S977 WeakPolarHBondContact CE1-OG 3.24Å; F937-L979 HydrophobicContact CE2-CD1 3.91Å; F937-L979 HydrophobicContact CZ-CD1 3.76Å; F937-L1020 HydrophobicContact CE1-CD1 3.71Å; F937-L1020 HydrophobicContact CZ-CD1 3.8Å |
| 938 | S | 95.4 | Very high | 93.3 | Very high | 44 Ų | 44 | 42.2 Ų | 42.2 | 31% | 0.308 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 148.3 | 165.4 | 57.6 | 0 | 0 | 0 | 0 | 110.1 | R976 | S938-R976 PolarHBondContact N-O 2.72Å; S938-R976 VanDerWaalsContact N-O 3.07Å; S938-R976 PolarHBondContact O-N 3.01Å; S938-R976 WeakPolarHBondContact OG-CB 3.34Å |
| 939 | L | 95.1 | Very high | 93.9 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 138.2 | -171.3 | -171.9 | 63 | 0 | 0 | 0 | 110.5 | V944 L946 L963 A973 L975 | L939-V944 HydrophobicContact CD2-CB 4.01Å; L939-V944 HydrophobicContact CD2-CG1 3.91Å; L939-V944 WeakPolarHBondContact CD2-O 3.43Å; L939-V944 HydrophobicContact CG-CB 4.47Å; L939-L946 HydrophobicContact CD2-CB 4.13Å; L939-L963 HydrophobicContact CD1-CD2 3.78Å; L939-L963 HydrophobicContact CD2-CD2 3.91Å; L939-A973 HydrophobicContact CD1-CB 4.31Å; L939-L975 HydrophobicContact CD1-CB 4.17Å; L939-L975 HydrophobicContact CD1-CD1 4.3Å |
| 940 | C | 93.6 | Very high | 94.8 | Very high | 80 Ų | 80 | 33.1 Ų | 33.1 | 54% | 0.541 | 21% | 0.21 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 136.3 | 176.3 | -177.3 | 0 | 0 | 0 | 0 | 109.7 | A973 T974 | C940-A973 CarbonylContact O-C 3.26Å; C940-A973 WeakPolarHBondContact O-CA 3.41Å; C940-T974 PolarHBondContact N-O 3.12Å; C940-T974 PolarHBondContact O-N 3.06Å |
| 941 | P | 95.8 | Very high | 95.4 | Very high | 43 Ų | 43 | 28.3 Ų | 28.3 | 28% | 0.279 | 18% | 0.18 | S | C | . | . | S | Bend | cis | -81.3 | 178.7 | -1.1 | 34.2 | -34 | 0 | 0 | 0 | 113.2 | A943 V944 V971 T972 | P941-A943 HydrophobicContact CG-CB 4.37Å; P941-A943 PolarHBondContact O-N 3.26Å; P941-A943 VanDerWaalsContact O-N 3.17Å; P941-V944 PolarHBondContact O-N 3.18Å; P941-V971 HydrophobicContact CG-CG2 3.33Å; P941-T972 WeakPolarHBondContact CD-O 3.47Å |
| 942 | S | 94.5 | Very high | 95.9 | Very high | 69 Ų | 69 | 27.7 Ų | 27.7 | 48% | 0.483 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -11 | -180 | 53.2 | 0 | 0 | 0 | 0 | 114.9 | Q913 V944 | Q913-S942 PolarHBondContact NE2-O 3.33Å; S942-V944 PolarHBondContact O-N 3.05Å |
| 943 | A | 96.9 | Very high | 96.1 | Very high | 6 Ų | 6 | 26.6 Ų | 26.6 | 5% | 0.05 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -15.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P941 E965 S966 H967 V971 | P941-A943 HydrophobicContact CG-CB 4.37Å; P941-A943 PolarHBondContact O-N 3.26Å; P941-A943 VanDerWaalsContact O-N 3.17Å; A943-E965 CarbonylContact O-C 3.49Å; A943-E965 WeakPolarHBondContact O-CA 3.22Å; A943-S966 PolarHBondContact O-N 3.21Å; A943-S966 PolarHBondContact O-OG 3.21Å; A943-H967 HydrophobicContact CB-CB 4.09Å; A943-H967 WeakPolarHBondContact CB-ND1 3.49Å; A943-V971 HydrophobicContact CB-CG1 4.36Å |
| 944 | V | 98.3 | Very high | 95.8 | Very high | 5 Ų | 5 | 26.9 Ų | 26.9 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 137.3 | 176.3 | -175.2 | 0 | 0 | 0 | 0 | 108.8 | L939 P941 S942 L963 Y964 E965 V971 A973 F1010 | L939-V944 HydrophobicContact CD2-CB 4.01Å; L939-V944 HydrophobicContact CD2-CG1 3.91Å; L939-V944 WeakPolarHBondContact CD2-O 3.43Å; L939-V944 HydrophobicContact CG-CB 4.47Å; P941-V944 PolarHBondContact O-N 3.18Å; S942-V944 PolarHBondContact O-N 3.05Å; V944-L963 HydrophobicContact CG1-CB 3.9Å; V944-L963 HydrophobicContact CG1-CD2 4.02Å; V944-Y964 CarbonylContact C-O 3.53Å; V944-Y964 WeakPolarHBondContact CA-O 3.35Å; V944-Y964 WeakPolarHBondContact CG1-O 3.1Å; V944-E965 HydrophobicContact CG2-CG 4.48Å; V944-V971 HydrophobicContact CG2-CG1 3.79Å; V944-A973 HydrophobicContact CB-CB 4.13Å; V944-A973 HydrophobicContact CG2-CB 3.7Å; V944-F1010 HydrophobicContact CG1-CD2 4.47Å; V944-F1010 HydrophobicContact CG1-CE1 4.02Å; V944-F1010 HydrophobicContact CG1-CE2 3.86Å; V944-F1010 HydrophobicContact CG1-CZ 3.62Å; V944-F1010 HydrophobicContact CG2-CD2 3.84Å; V944-F1010 HydrophobicContact CG2-CE2 4.01Å; V944-F1010 HydrophobicContact CG2-CG 4.14Å; V944-F1010 HydrophobicContact CG2-CZ 4.44Å |
| 945 | V | 98.2 | Very high | 95 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.3 | 177.2 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | P628 W629 I912 E947 L963 Y964 | P628-V945 HydrophobicContact CG-CG1 4.26Å; W629-V945 HydrophobicContact CZ3-CG1 4.12Å; W629-V945 HydrophobicContact CZ3-CG2 4.25Å; I912-V945 HydrophobicContact CG2-CG2 4.37Å; V945-E947 PolarHBondContact O-N 3.38Å; V945-L963 CarbonylContact O-C 3.6Å; V945-L963 WeakPolarHBondContact O-CA 3.47Å; V945-Y964 HydrophobicContact CB-CD1 3.93Å; V945-Y964 HydrophobicContact CB-CE1 3.47Å; V945-Y964 VanDerWaalsContact CB-CE1 3.47Å; V945-Y964 HydrophobicContact CG1-CD1 4.36Å; V945-Y964 HydrophobicContact CG1-CE1 3.64Å; V945-Y964 HydrophobicContact CG2-CE1 4.18Å; V945-Y964 PolarHBondContact N-O 2.89Å; V945-Y964 PolarHBondContact O-N 3.47Å |
| 946 | L | 98.3 | Very high | 94.3 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 103.3 | 165.6 | 166 | 64.9 | 0 | 0 | 0 | 107.9 | P628 V654 F937 L939 I949 V961 L963 L975 | P628-L946 HydrophobicContact CB-CB 3.72Å; P628-L946 HydrophobicContact CB-CD2 4.44Å; P628-L946 HydrophobicContact CB-CG 4.44Å; P628-L946 HydrophobicContact CG-CB 4.15Å; P628-L946 WeakPolarHBondContact CG-O 3.18Å; V654-L946 HydrophobicContact CG2-CD2 4.22Å; F937-L946 HydrophobicContact CB-CD2 3.9Å; F937-L946 HydrophobicContact CD2-CD2 4.42Å; F937-L946 HydrophobicContact CG-CD2 4.15Å; L939-L946 HydrophobicContact CD2-CB 4.13Å; L946-I949 HydrophobicContact CD1-CG1 4.06Å; L946-I949 HydrophobicContact CD2-CD1 3.88Å; L946-I949 HydrophobicContact CD2-CG1 4.15Å; L946-I949 HydrophobicContact CG-CD1 4.32Å; L946-I949 HydrophobicContact CG-CG1 4.18Å; L946-V961 HydrophobicContact CD1-CB 3.85Å; L946-V961 HydrophobicContact CD1-CG1 4.4Å; L946-L963 HydrophobicContact CB-CD2 4.21Å; L946-L963 HydrophobicContact CB-CG 4.28Å; L946-L963 HydrophobicContact CD1-CD1 4.38Å; L946-L963 HydrophobicContact CD1-CG 4.02Å; L946-L975 HydrophobicContact CD2-CD1 4.17Å |
| 947 | E | 97.4 | Very high | 93.5 | Very high | 9 Ų | 9 | 32.6 Ų | 32.6 | 4% | 0.042 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -33.4 | -171.3 | -175.4 | 67.8 | -179.1 | 0 | 0 | 113 | H541 F821 Y916 V945 R962 Y964 | H541-E947 PolarHBondContact CD2-O 2.9Å; H541-E947 PolarHBondContact NE2-O 2.9Å; H541-E947 VanDerWaalsContact NE2-O 3.1Å; F821-E947 HydrophobicContact CE1-CB 4.27Å; F821-E947 HydrophobicContact CE1-CG 3.87Å; Y916-E947 VanDerWaalsContact CE1-OE2 3.23Å; Y916-E947 WeakPolarHBondContact CE1-OE2 3.44Å; Y916-E947 VanDerWaalsContact OH-CD 3.24Å; Y916-E947 PolarHBondContact OH-OE1 2.86Å; Y916-E947 PolarHBondContact OH-OE2 2.84Å; V945-E947 PolarHBondContact O-N 3.38Å; E947-R962 PolarHBondContact N-O 3.1Å; E947-Y964 HydrophobicContact CB-CD1 4.11Å; E947-Y964 HydrophobicContact CB-CE1 4.19Å |
| 948 | T | 97.9 | Very high | 93.3 | Very high | 3 Ų | 3 | 33.9 Ų | 33.9 | 2% | 0.018 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 136.1 | -172.3 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | E344 K950 V961 R962 | E344-T948 HydrophobicContact CG-CG2 4.49Å; E344-T948 WeakPolarHBondContact CG-OG1 3.43Å; E344-T948 PolarHBondContact OE2-OG1 2.85Å; E344-T948 VanDerWaalsContact OE2-OG1 3.07Å; T948-K950 HydrophobicContact CG2-CB 4.46Å; T948-K950 HydrophobicContact CG2-CD 4.29Å; T948-K950 HydrophobicContact CG2-CG 4.22Å; T948-V961 CarbonylContact O-C 3.46Å; T948-V961 VanDerWaalsContact O-CA 3.29Å; T948-V961 WeakPolarHBondContact O-CA 3.35Å; T948-R962 PolarHBondContact N-O 3.13Å; T948-R962 PolarHBondContact O-N 3.31Å |
| 949 | I | 98.2 | Very high | 93.4 | Very high | 6 Ų | 6 | 31.8 Ų | 31.8 | 3% | 0.031 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 113.2 | 171.8 | -54.8 | 168.5 | 0 | 0 | 0 | 106.5 | E544 A545 V654 F937 L946 L959 V960 V961 | E544-I949 CarbonylContact C-O 3.57Å; E544-I949 VanDerWaalsContact C-O 3.26Å; A545-I949 PolarHBondContact N-O 3.04Å; V654-I949 HydrophobicContact CB-CD1 4.41Å; V654-I949 HydrophobicContact CG1-CD1 3.42Å; V654-I949 VanDerWaalsContact CG1-CD1 3.42Å; V654-I949 HydrophobicContact CG2-CD1 4.15Å; F937-I949 HydrophobicContact CD2-CD1 3.83Å; F937-I949 HydrophobicContact CE2-CD1 4.1Å; F937-I949 HydrophobicContact CE2-CG2 4.36Å; L946-I949 HydrophobicContact CD1-CG1 4.06Å; L946-I949 HydrophobicContact CD2-CD1 3.88Å; L946-I949 HydrophobicContact CD2-CG1 4.15Å; L946-I949 HydrophobicContact CG-CD1 4.32Å; L946-I949 HydrophobicContact CG-CG1 4.18Å; I949-L959 HydrophobicContact CG2-CD1 4.41Å; I949-V960 WeakPolarHBondContact CA-O 3.18Å; I949-V961 HydrophobicContact CG1-CG1 4.32Å; I949-V961 HydrophobicContact CG2-CG1 4.43Å |
| 950 | K | 97.6 | Very high | 93.5 | Very high | 1 Ų | 1 | 30.5 Ų | 30.5 | 0% | 0.004 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 163.5 | 179.2 | 66.6 | 176.7 | -112.8 | 71.7 | 0 | 111.3 | R348 E544 S548 T948 E953 L959 V960 E991 | R348-K950 VanDerWaalsContact CZ-CD 3.46Å; E544-K950 HydrophobicContact CB-CB 4.19Å; S548-K950 VanDerWaalsContact OG-C 3.25Å; S548-K950 WeakPolarHBondContact OG-CA 3.31Å; T948-K950 HydrophobicContact CG2-CB 4.46Å; T948-K950 HydrophobicContact CG2-CD 4.29Å; T948-K950 HydrophobicContact CG2-CG 4.22Å; K950-E953 IonicContact NZ-OE1 3.43Å; K950-E953 PolarHBondContact NZ-OE1 2.79Å; K950-L959 CarbonylContact O-C 3.53Å; K950-L959 WeakPolarHBondContact O-CA 3.4Å; K950-V960 HydrophobicContact CG-CB 3.86Å; K950-V960 HydrophobicContact CG-CG1 4.34Å; K950-V960 PolarHBondContact N-O 3.37Å; K950-V960 PolarHBondContact O-N 3.04Å; K950-E991 WeakPolarHBondContact CE-OE1 3.38Å; K950-E991 IonicContact NZ-OE1 3.7Å |
| 951 | R | 96.3 | Very high | 93.7 | Very high | 60 Ų | 60 | 26.7 Ų | 26.7 | 23% | 0.226 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 138.7 | 165.2 | -177.2 | -176.4 | 174.4 | -169 | 1 | 109.8 | S548 L551 Y559 G955 | S548-R951 PolarHBondContact OG-N 2.96Å; L551-R951 HydrophobicContact CD2-CG 4.21Å; Y559-R951 HydrophobicContact CD1-CB 3.89Å; Y559-R951 HydrophobicContact CD1-CG 4.44Å; Y559-R951 HydrophobicContact CD2-CB 3.73Å; Y559-R951 HydrophobicContact CE1-CB 3.83Å; Y559-R951 HydrophobicContact CE2-CB 3.65Å; Y559-R951 HydrophobicContact CG-CB 3.83Å; Y559-R951 HydrophobicContact CG-CG 4.38Å; R951-G955 PolarHBondContact NH2-O 2.76Å |
| 952 | A | 95.4 | Very high | 93.9 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 4% | 0.041 | 15% | 0.148 | C | C | . | . | trans | -61.2 | 145.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.5 | D954 G955 N958 V960 L1019 | A952-D954 WeakPolarHBondContact CB-OD1 3.5Å; A952-D954 PolarHBondContact O-N 2.99Å; A952-G955 PolarHBondContact O-N 2.91Å; A952-N958 HydrophobicContact CB-CB 4.18Å; A952-N958 PolarHBondContact N-O 3.2Å; A952-V960 HydrophobicContact CB-CG2 3.88Å; A952-L1019 HydrophobicContact CB-CD2 3.79Å | ||
| 953 | E | 93.4 | Very high | 94.1 | Very high | 50 Ų | 50 | 21.4 Ų | 21.4 | 23% | 0.234 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -14.7 | -177.7 | -75.3 | -48.8 | 145.9 | 0 | 0 | 114.6 | L351 R355 K950 G955 E991 | L351-E953 HydrophobicContact CD1-CG 4.39Å; L351-E953 HydrophobicContact CD2-CG 4.01Å; R355-E953 VanDerWaalsContact CZ-CB 3.5Å; R355-E953 IonicContact CZ-OE2 2.67Å; R355-E953 IonicContact NH1-OE2 4Å; R355-E953 PolarHBondContact NH1-OE2 3.45Å; R355-E953 PolarHBondContact NH2-O 3.38Å; R355-E953 VanDerWaalsContact NH2-O 3.12Å; R355-E953 IonicContact NH2-OE2 3.99Å; R355-E953 PolarHBondContact NH2-OE2 2.89Å; R355-E953 VanDerWaalsContact NH2-OE2 3.08Å; K950-E953 IonicContact NZ-OE1 3.43Å; K950-E953 PolarHBondContact NZ-OE1 2.79Å; E953-G955 PolarHBondContact O-N 3.38Å; E953-E991 VanDerWaalsContact CB-OE2 3.25Å; E953-E991 WeakPolarHBondContact CB-OE2 3.16Å; E953-E991 VanDerWaalsContact CG-OE2 3.31Å; E953-E991 WeakPolarHBondContact CG-OE2 3.32Å; E953-E991 PolarHBondContact N-OE2 3.34Å |
| 954 | D | 85.8 | Confident | 94.2 | Very high | 87 Ų | 87 | 21.3 Ų | 21.3 | 47% | 0.465 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.4 | -9.1 | 174.6 | 73 | -3.8 | 0 | 0 | 0 | 113.3 | A952 N956 | A952-D954 WeakPolarHBondContact CB-OD1 3.5Å; A952-D954 PolarHBondContact O-N 2.99Å; D954-N956 VanDerWaalsContact C-N 3.27Å; D954-N956 PolarHBondContact O-N 3.33Å; D954-N956 WeakPolarHBondContact OD1-CB 3.2Å; D954-N956 PolarHBondContact OD1-N 3.23Å; D954-N956 PolarHBondContact OD2-ND2 3.16Å |
| 955 | G | 78.3 | Confident | 94.2 | Very high | 33 Ų | 33 | 21 Ų | 21 | 34% | 0.34 | 12% | 0.122 | S | C | . | . | trans | 76.9 | 2.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R951 A952 E953 G957 | R951-G955 PolarHBondContact NH2-O 2.76Å; A952-G955 PolarHBondContact O-N 2.91Å; E953-G955 PolarHBondContact O-N 3.38Å; G955-G957 PolarHBondContact O-N 2.85Å | ||
| 956 | N | 79.8 | Confident | 94.2 | Very high | 117 Ų | 117 | 21.1 Ų | 21.1 | 63% | 0.626 | 12% | 0.122 | S | C | * | . | S | Bend | trans | -75.4 | 8.9 | -172.8 | -71.6 | -37.7 | 0 | 0 | 0 | 115 | D954 N958 | D954-N956 VanDerWaalsContact C-N 3.27Å; D954-N956 PolarHBondContact O-N 3.33Å; D954-N956 WeakPolarHBondContact OD1-CB 3.2Å; D954-N956 PolarHBondContact OD1-N 3.23Å; D954-N956 PolarHBondContact OD2-ND2 3.16Å; N956-N958 PolarHBondContact O-N 3.36Å |
| 957 | G | 80.7 | Confident | 94.1 | Very high | 31 Ų | 31 | 22.1 Ų | 22.1 | 32% | 0.32 | 13% | 0.127 | S | C | . | . | S | Bend | trans | 77.4 | -0.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | G955 | G955-G957 PolarHBondContact O-N 2.85Š|
| 958 | N | 93.2 | Very high | 94.1 | Very high | 29 Ų | 29 | 23.1 Ų | 23.1 | 16% | 0.155 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -67.4 | 152.2 | 171.7 | -63.1 | -35.4 | 0 | 0 | 0 | 110.8 | A952 N956 L1019 L1020 C1021 | A952-N958 HydrophobicContact CB-CB 4.18Å; A952-N958 PolarHBondContact N-O 3.2Å; N956-N958 PolarHBondContact O-N 3.36Å; N958-L1019 HydrophobicContact CB-CD2 4.41Å; N958-L1020 WeakPolarHBondContact CA-O 3.36Å; N958-L1020 WeakPolarHBondContact CB-O 3.38Å; N958-C1021 WeakPolarHBondContact OD1-CA 3.24Å; N958-C1021 PolarHBondContact OD1-SG 3.47Å |
| 959 | L | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 137.8 | 171.6 | -63 | -171.1 | 0 | 0 | 0 | 110.6 | I949 K950 L979 L1019 L1020 F1022 | I949-L959 HydrophobicContact CG2-CD1 4.41Å; K950-L959 CarbonylContact O-C 3.53Å; K950-L959 WeakPolarHBondContact O-CA 3.4Å; L959-L979 HydrophobicContact CD1-CD1 4.4Å; L959-L1019 CarbonylContact O-C 3.56Å; L959-L1019 WeakPolarHBondContact O-CA 3.5Å; L959-L1020 HydrophobicContact CB-CB 4.47Å; L959-L1020 PolarHBondContact N-O 2.87Å; L959-L1020 PolarHBondContact O-N 2.88Å; L959-F1022 HydrophobicContact CB-CE2 3.93Å; L959-F1022 HydrophobicContact CB-CZ 4.45Å; L959-F1022 HydrophobicContact CD1-CE2 3.87Å; L959-F1022 HydrophobicContact CD1-CZ 3.91Å; L959-F1022 HydrophobicContact CG-CE2 3.6Å; L959-F1022 HydrophobicContact CG-CZ 4.16Å |
| 960 | V | 97.9 | Very high | 94 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 125.4 | 165.7 | 172.8 | 0 | 0 | 0 | 0 | 107.6 | I949 K950 A952 E991 T1017 L1018 L1019 | I949-V960 WeakPolarHBondContact CA-O 3.18Å; K950-V960 HydrophobicContact CG-CB 3.86Å; K950-V960 HydrophobicContact CG-CG1 4.34Å; K950-V960 PolarHBondContact N-O 3.37Å; K950-V960 PolarHBondContact O-N 3.04Å; A952-V960 HydrophobicContact CB-CG2 3.88Å; V960-E991 HydrophobicContact CG1-CG 4.44Å; V960-E991 HydrophobicContact CG2-CB 4.24Å; V960-E991 HydrophobicContact CG2-CG 3.84Å; V960-T1017 HydrophobicContact CG1-CG2 3.5Å; V960-T1017 VanDerWaalsContact CG1-CG2 3.5Å; V960-L1018 WeakPolarHBondContact CA-O 3.46Å; V960-L1019 HydrophobicContact CG2-CD2 3.62Å |
| 961 | V | 98.1 | Very high | 94 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 125.4 | 169.2 | -61.7 | 0 | 0 | 0 | 0 | 109.6 | F937 L946 T948 I949 L963 L975 T1017 L1018 L1020 | F937-V961 HydrophobicContact CZ-CG1 4.31Å; L946-V961 HydrophobicContact CD1-CB 3.85Å; L946-V961 HydrophobicContact CD1-CG1 4.4Å; T948-V961 CarbonylContact O-C 3.46Å; T948-V961 VanDerWaalsContact O-CA 3.29Å; T948-V961 WeakPolarHBondContact O-CA 3.35Å; I949-V961 HydrophobicContact CG1-CG1 4.32Å; I949-V961 HydrophobicContact CG2-CG1 4.43Å; V961-L963 HydrophobicContact CG2-CD1 4.2Å; V961-L975 HydrophobicContact CG2-CD2 4.13Å; V961-T1017 WeakPolarHBondContact O-CA 3.41Å; V961-L1018 HydrophobicContact CG2-CB 3.69Å; V961-L1018 HydrophobicContact CG2-CD1 4.16Å; V961-L1018 HydrophobicContact CG2-CG 4.32Å; V961-L1018 PolarHBondContact N-O 2.62Å; V961-L1018 PolarHBondContact O-N 3.01Å; V961-L1020 HydrophobicContact CG1-CD1 3.7Å; V961-L1020 HydrophobicContact CG1-CG 4.27Å; V961-L1020 HydrophobicContact CG2-CD1 3.92Å; V961-L1020 HydrophobicContact CG2-CD2 4.16Å; V961-L1020 HydrophobicContact CG2-CG 3.91Å |
| 962 | R | 98.5 | Very high | 94.1 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 0% | 0.004 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 127.1 | 179.9 | -172.2 | 168.9 | -67 | 151.8 | -0.2 | 110.3 | E344 E947 T948 L989 I1015 T1017 | E344-R962 VanDerWaalsContact CD-NH1 3.27Å; E344-R962 IonicContact OE1-NH1 3.36Å; E344-R962 PolarHBondContact OE1-NH1 3.41Å; E344-R962 IonicContact OE2-CZ 3.08Å; E344-R962 IonicContact OE2-NH1 3.78Å; E344-R962 PolarHBondContact OE2-NH1 2.97Å; E947-R962 PolarHBondContact N-O 3.1Å; T948-R962 PolarHBondContact N-O 3.13Å; T948-R962 PolarHBondContact O-N 3.31Å; R962-L989 PolarHBondContact NH2-O 3.35Å; R962-I1015 HydrophobicContact CG-CG2 3.92Å; R962-T1017 HydrophobicContact CB-CG2 4.43Å; R962-T1017 PolarHBondContact NE-OG1 3.37Å; R962-T1017 VanDerWaalsContact NE-OG1 3.13Å |
| 963 | L | 98.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 150.3 | -179.4 | -57.1 | 96.8 | 0 | 0 | 0 | 109.5 | L939 V944 V945 L946 V961 L1008 F1010 I1015 V1016 L1018 | L939-L963 HydrophobicContact CD1-CD2 3.78Å; L939-L963 HydrophobicContact CD2-CD2 3.91Å; V944-L963 HydrophobicContact CG1-CB 3.9Å; V944-L963 HydrophobicContact CG1-CD2 4.02Å; V945-L963 CarbonylContact O-C 3.6Å; V945-L963 WeakPolarHBondContact O-CA 3.47Å; L946-L963 HydrophobicContact CB-CD2 4.21Å; L946-L963 HydrophobicContact CB-CG 4.28Å; L946-L963 HydrophobicContact CD1-CD1 4.38Å; L946-L963 HydrophobicContact CD1-CG 4.02Å; V961-L963 HydrophobicContact CG2-CD1 4.2Å; L963-L1008 HydrophobicContact CD1-CD1 4.27Å; L963-L1008 HydrophobicContact CD2-CD1 4.41Å; L963-F1010 HydrophobicContact CB-CE1 4.2Å; L963-F1010 HydrophobicContact CB-CZ 3.82Å; L963-I1015 WeakPolarHBondContact O-CA 3.3Å; L963-V1016 PolarHBondContact N-O 3.41Å; L963-V1016 PolarHBondContact O-N 2.89Å; L963-V1016 VanDerWaalsContact O-O 3.13Å; L963-L1018 HydrophobicContact CD1-CD1 4.48Å |
| 964 | Y | 98.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 30 Ų | 30 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 148.3 | 168.9 | 75.5 | -80.1 | 0 | 0 | 0 | 111.3 | F821 Y916 V944 V945 E947 S966 Q1014 | F821-Y964 HydrophobicContact CB-CD2 3.82Å; F821-Y964 HydrophobicContact CB-CE2 4.34Å; F821-Y964 HydrophobicContact CB-CG 3.95Å; F821-Y964 AromaticContact CD1-CD1 3.54Å; F821-Y964 HydrophobicContact CD1-CD1 3.54Å; F821-Y964 HydrophobicContact CD1-CD2 4.29Å; F821-Y964 AromaticContact CD1-CE1 3.99Å; F821-Y964 HydrophobicContact CD1-CE1 3.99Å; F821-Y964 AromaticContact CD1-CG 3.69Å; F821-Y964 HydrophobicContact CD1-CG 3.69Å; F821-Y964 HydrophobicContact CE1-CD1 4.23Å; F821-Y964 HydrophobicContact CG-CG 4.3Å; F821-Y964 VanDerWaalsContact O-CD2 3.24Å; F821-Y964 WeakPolarHBondContact O-CD2 3.4Å; Y916-Y964 WeakPolarHBondContact CE2-OH 3.3Å; Y916-Y964 PolarHBondContact OH-OH 2.93Å; V944-Y964 CarbonylContact C-O 3.53Å; V944-Y964 WeakPolarHBondContact CA-O 3.35Å; V944-Y964 WeakPolarHBondContact CG1-O 3.1Å; V945-Y964 HydrophobicContact CB-CD1 3.93Å; V945-Y964 HydrophobicContact CB-CE1 3.47Å; V945-Y964 VanDerWaalsContact CB-CE1 3.47Å; V945-Y964 HydrophobicContact CG1-CD1 4.36Å; V945-Y964 HydrophobicContact CG1-CE1 3.64Å; V945-Y964 HydrophobicContact CG2-CE1 4.18Å; V945-Y964 PolarHBondContact N-O 2.89Å; V945-Y964 PolarHBondContact O-N 3.47Å; E947-Y964 HydrophobicContact CB-CD1 4.11Å; E947-Y964 HydrophobicContact CB-CE1 4.19Å; Y964-S966 VanDerWaalsContact CE2-CB 3.4Å; Y964-Q1014 VanDerWaalsContact CA-O 3.3Å; Y964-Q1014 WeakPolarHBondContact CA-O 3.33Å |
| 965 | E | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 125.6 | 170.1 | -162.4 | -76.6 | 148.3 | 0 | 0 | 109.3 | A943 V944 H967 G968 S969 V971 F1010 F1013 Q1014 | A943-E965 CarbonylContact O-C 3.49Å; A943-E965 WeakPolarHBondContact O-CA 3.22Å; V944-E965 HydrophobicContact CG2-CG 4.48Å; E965-H967 WeakPolarHBondContact OE1-CA 3.48Å; E965-H967 VanDerWaalsContact OE1-CB 3.26Å; E965-H967 WeakPolarHBondContact OE1-CB 3.38Å; E965-H967 PolarHBondContact OE1-N 2.9Å; E965-G968 PolarHBondContact OE1-N 2.86Å; E965-G968 VanDerWaalsContact OE1-N 3.14Å; E965-G968 VanDerWaalsContact OE2-CA 3.23Å; E965-G968 WeakPolarHBondContact OE2-CA 3.46Å; E965-G968 PolarHBondContact OE2-N 2.79Å; E965-S969 WeakPolarHBondContact CG-O 3.45Å; E965-S969 PolarHBondContact OE1-N 2.87Å; E965-S969 PolarHBondContact OE1-OG 2.91Å; E965-S969 PolarHBondContact OE2-N 2.92Å; E965-V971 HydrophobicContact CG-CG1 3.91Å; E965-F1010 HydrophobicContact CB-CB 3.95Å; E965-F1010 HydrophobicContact CB-CD1 3.95Å; E965-F1010 HydrophobicContact CB-CG 4.22Å; E965-F1010 HydrophobicContact CG-CB 4.09Å; E965-F1013 VanDerWaalsContact O-CA 3.3Å; E965-F1013 WeakPolarHBondContact O-CA 3.44Å; E965-F1013 PolarHBondContact OE2-N 2.67Å; E965-Q1014 PolarHBondContact N-O 2.8Å |
| 966 | S | 97.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 2% | 0.021 | 18% | 0.181 | C | C | . | . | trans | -112.3 | -9.5 | -167.3 | 67.8 | 0 | 0 | 0 | 0 | 113.8 | H823 I912 A943 Y964 | H823-S966 PolarHBondContact NE2-O 3.11Å; I912-S966 WeakPolarHBondContact CD1-O 3.38Å; A943-S966 PolarHBondContact O-N 3.21Å; A943-S966 PolarHBondContact O-OG 3.21Å; Y964-S966 VanDerWaalsContact CE2-CB 3.4Å | ||
| 967 | H | 97.6 | Very high | 96.5 | Very high | 25 Ų | 25 | 26.2 Ų | 26.2 | 12% | 0.116 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -93.8 | -16.5 | -176.7 | -71.7 | -166.6 | 0 | 0 | 0 | 113.3 | Q907 A943 E965 | Q907-H967 HydrophobicContact CB-CB 4.42Å; Q907-H967 HydrophobicContact CG-CB 3.74Å; Q907-H967 PolarHBondContact NE2-O 2.94Å; Q907-H967 VanDerWaalsContact NE2-O 3.1Å; A943-H967 HydrophobicContact CB-CB 4.09Å; A943-H967 WeakPolarHBondContact CB-ND1 3.49Å; E965-H967 WeakPolarHBondContact OE1-CA 3.48Å; E965-H967 VanDerWaalsContact OE1-CB 3.26Å; E965-H967 WeakPolarHBondContact OE1-CB 3.38Å; E965-H967 PolarHBondContact OE1-N 2.9Å |
| 968 | G | 97.3 | Very high | 97.2 | Very high | 30 Ų | 30 | 30.5 Ų | 30.5 | 31% | 0.309 | 18% | 0.178 | S | C | . | . | S | Bend | trans | 81.7 | 35.7 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E965 | E965-G968 PolarHBondContact OE1-N 2.86Å; E965-G968 VanDerWaalsContact OE1-N 3.14Å; E965-G968 VanDerWaalsContact OE2-CA 3.23Å; E965-G968 WeakPolarHBondContact OE2-CA 3.46Å; E965-G968 PolarHBondContact OE2-N 2.79Å |
| 969 | S | 95.9 | Very high | 97.1 | Very high | 40 Ų | 40 | 29.8 Ų | 29.8 | 28% | 0.28 | 17% | 0.174 | S | C | . | . | trans | -127.6 | 152.9 | -172 | 70 | 0 | 0 | 0 | 0 | 113.9 | E965 E1011 | E965-S969 WeakPolarHBondContact CG-O 3.45Å; E965-S969 PolarHBondContact OE1-N 2.87Å; E965-S969 PolarHBondContact OE1-OG 2.91Å; E965-S969 PolarHBondContact OE2-N 2.92Å; S969-E1011 CarbonylContact O-C 3.59Å | ||
| 970 | S | 97.8 | Very high | 96.7 | Very high | 93 Ų | 93 | 34.1 Ų | 34.1 | 65% | 0.65 | 20% | 0.203 | S | C | * | . | trans | -82.2 | 122.3 | 166.6 | -61.4 | 0 | 0 | 0 | 0 | 109.9 | F1010 | S970-F1010 CarbonylContact C-O 3.23Å; S970-F1010 VanDerWaalsContact CA-O 3.28Å; S970-F1010 WeakPolarHBondContact CA-O 3.45Å | ||
| 971 | V | 97.8 | Very high | 96.5 | Very high | 30 Ų | 30 | 35.7 Ų | 35.7 | 18% | 0.182 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 146.6 | -172.6 | 70.1 | 0 | 0 | 0 | 0 | 112.8 | P941 A943 V944 E965 F1010 | P941-V971 HydrophobicContact CG-CG2 3.33Å; A943-V971 HydrophobicContact CB-CG1 4.36Å; V944-V971 HydrophobicContact CG2-CG1 3.79Å; E965-V971 HydrophobicContact CG-CG1 3.91Å; V971-F1010 HydrophobicContact CG1-CB 4.03Å; V971-F1010 PolarHBondContact N-O 2.99Å; V971-F1010 PolarHBondContact O-N 2.77Å |
| 972 | T | 97.6 | Very high | 96.2 | Very high | 79 Ų | 79 | 42.7 Ų | 42.7 | 49% | 0.485 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 120.5 | 166 | -58.7 | 0 | 0 | 0 | 0 | 108.6 | P941 L1008 N1009 | P941-T972 WeakPolarHBondContact CD-O 3.47Å; T972-L1008 CarbonylContact C-O 3.54Å; T972-L1008 VanDerWaalsContact CA-O 3.32Å; T972-L1008 WeakPolarHBondContact CA-O 3.49Å; T972-N1009 WeakPolarHBondContact CG2-OD1 3.43Å; T972-N1009 PolarHBondContact OG1-OD1 2.64Å |
| 973 | A | 97.3 | Very high | 96 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 151.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L939 C940 V944 S1007 L1008 F1010 | L939-A973 HydrophobicContact CD1-CB 4.31Å; C940-A973 CarbonylContact O-C 3.26Å; C940-A973 WeakPolarHBondContact O-CA 3.41Å; V944-A973 HydrophobicContact CB-CB 4.13Å; V944-A973 HydrophobicContact CG2-CB 3.7Å; A973-S1007 WeakPolarHBondContact O-CA 3.31Å; A973-L1008 PolarHBondContact N-O 3.11Å; A973-L1008 PolarHBondContact O-N 3.3Å; A973-F1010 HydrophobicContact CB-CD2 4.17Å; A973-F1010 HydrophobicContact CB-CE2 3.97Å |
| 974 | T | 97.8 | Very high | 95.9 | Very high | 27 Ų | 27 | 47 Ų | 47 | 17% | 0.166 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 114.6 | 174.1 | -56.5 | 0 | 0 | 0 | 0 | 109.2 | C940 R976 E1004 I1006 | C940-T974 PolarHBondContact N-O 3.12Å; C940-T974 PolarHBondContact O-N 3.06Å; T974-R976 HydrophobicContact CG2-CG 4.29Å; T974-E1004 VanDerWaalsContact CG2-O 3.26Å; T974-E1004 WeakPolarHBondContact CG2-O 3.27Å; T974-I1006 WeakPolarHBondContact CA-O 3.39Å |
| 975 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 111.6 | 172 | 176.6 | 66.1 | 0 | 0 | 0 | 108.9 | F937 L939 L946 V961 G1005 I1006 | F937-L975 HydrophobicContact CB-CD1 4.15Å; F937-L975 HydrophobicContact CD1-CD1 3.87Å; F937-L975 HydrophobicContact CD1-CD2 4.44Å; F937-L975 HydrophobicContact CD1-CG 4.23Å; F937-L975 HydrophobicContact CG-CD1 4.36Å; L939-L975 HydrophobicContact CD1-CB 4.17Å; L939-L975 HydrophobicContact CD1-CD1 4.3Å; L946-L975 HydrophobicContact CD2-CD1 4.17Å; V961-L975 HydrophobicContact CG2-CD2 4.13Å; L975-G1005 WeakPolarHBondContact O-CA 3.44Å; L975-I1006 HydrophobicContact CB-CB 4.34Å; L975-I1006 HydrophobicContact CD2-CD1 4.33Å; L975-I1006 PolarHBondContact N-O 3.37Å; L975-I1006 PolarHBondContact O-N 2.98Å |
| 976 | R | 96.7 | Very high | 95.8 | Very high | 123 Ų | 123 | 50.2 Ų | 50.2 | 46% | 0.464 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 142.8 | 174.5 | -61 | -172.3 | 173.4 | 158.8 | 2.7 | 109.5 | F937 S938 T974 E1004 | F937-R976 VanDerWaalsContact CA-O 3.25Å; F937-R976 WeakPolarHBondContact CA-O 3.25Å; S938-R976 PolarHBondContact N-O 2.72Å; S938-R976 VanDerWaalsContact N-O 3.07Å; S938-R976 PolarHBondContact O-N 3.01Å; S938-R976 WeakPolarHBondContact OG-CB 3.34Å; T974-R976 HydrophobicContact CG2-CG 4.29Å; R976-E1004 WeakPolarHBondContact CG-O 3.37Å; R976-E1004 PolarHBondContact NE-O 3.25Å; R976-E1004 VanDerWaalsContact NE-O 3.08Å |
| 977 | S | 95 | Very high | 95.8 | Very high | 35 Ų | 35 | 50.7 Ų | 50.7 | 25% | 0.245 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 137.1 | 175 | -167.7 | 0 | 0 | 0 | 0 | 111.1 | A936 F937 L979 | A936-S977 VanDerWaalsContact O-CA 3.26Å; A936-S977 WeakPolarHBondContact O-CA 3.46Å; A936-S977 PolarHBondContact O-OG 3.47Å; A936-S977 VanDerWaalsContact O-OG 3.12Å; F937-S977 WeakPolarHBondContact CE1-OG 3.24Å; S977-L979 VanDerWaalsContact C-N 3.28Å; S977-L979 WeakPolarHBondContact OG-CB 3.38Å; S977-L979 PolarHBondContact OG-N 2.9Å; S977-L979 VanDerWaalsContact OG-N 3.14Å |
| 978 | D | 93.6 | Very high | 95.7 | Very high | 121 Ų | 121 | 51.6 Ų | 51.6 | 65% | 0.647 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -86.6 | -4.2 | 167.9 | -99.5 | 20.8 | 0 | 0 | 0 | 112 | S935 A936 | S935-D978 WeakPolarHBondContact O-CB 3.42Å; A936-D978 PolarHBondContact O-N 3.25Å; A936-D978 VanDerWaalsContact O-N 3.11Å |
| 979 | L | 91.8 | Very high | 95.8 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -81.2 | 149.9 | 173.2 | -54.9 | 178.1 | 0 | 0 | 0 | 109.5 | L549 C552 W934 F937 L959 S977 V981 F1022 | L549-L979 HydrophobicContact CD2-CD1 4.08Å; C552-L979 HydrophobicContact CB-CD1 4.29Å; C552-L979 HydrophobicContact CB-CD2 4.03Å; W934-L979 HydrophobicContact CH2-CD2 4.37Å; W934-L979 HydrophobicContact CZ2-CD2 3.97Å; F937-L979 HydrophobicContact CE2-CD1 3.91Å; F937-L979 HydrophobicContact CZ-CD1 3.76Å; L959-L979 HydrophobicContact CD1-CD1 4.4Å; S977-L979 VanDerWaalsContact C-N 3.28Å; S977-L979 WeakPolarHBondContact OG-CB 3.38Å; S977-L979 PolarHBondContact OG-N 2.9Å; S977-L979 VanDerWaalsContact OG-N 3.14Å; L979-V981 PolarHBondContact O-N 2.81Å; L979-F1022 HydrophobicContact CB-CD1 4.22Å; L979-F1022 HydrophobicContact CB-CE1 3.49Å; L979-F1022 VanDerWaalsContact CB-CE1 3.49Å; L979-F1022 HydrophobicContact CB-CZ 4.34Å; L979-F1022 HydrophobicContact CD1-CE1 4.08Å; L979-F1022 HydrophobicContact CD1-CZ 4.14Å; L979-F1022 HydrophobicContact CG-CE1 4.44Å |
| 980 | P | 89.1 | Confident | 95.8 | Very high | 92 Ų | 92 | 49.3 Ų | 49.3 | 60% | 0.597 | 26% | 0.263 | S | S | * | . | trans | -77 | 61.9 | -175.2 | 33.3 | -37.1 | 0 | 0 | 0 | 112.4 | K982 F1022 | P980-K982 PolarHBondContact O-N 2.9Å; P980-F1022 HydrophobicContact CG-CD1 4.33Å | ||
| 981 | V | 92.7 | Very high | 95.8 | Very high | 32 Ų | 32 | 45.7 Ų | 45.7 | 19% | 0.194 | 24% | 0.236 | C | C | . | . | trans | -64.6 | 116.9 | -179.9 | -177.4 | 0 | 0 | 0 | 0 | 110 | L979 E983 I1006 L1020 F1022 | L979-V981 PolarHBondContact O-N 2.81Å; V981-E983 WeakPolarHBondContact CG1-O 3.48Å; V981-I1006 HydrophobicContact CG1-CD1 4.47Å; V981-L1020 HydrophobicContact CG1-CB 4.39Å; V981-L1020 HydrophobicContact CG1-CD2 4.31Å; V981-L1020 HydrophobicContact CG2-CD1 4.32Å; V981-F1022 HydrophobicContact CB-CE1 4.38Å; V981-F1022 HydrophobicContact CG2-CD1 4.28Å; V981-F1022 HydrophobicContact CG2-CE1 3.51Å; V981-F1022 HydrophobicContact CG2-CZ 4.05Å | ||
| 982 | K | 92.6 | Very high | 95.7 | Very high | 148 Ų | 148 | 48.6 Ų | 48.6 | 64% | 0.643 | 24% | 0.243 | S | C | * | . | trans | -88.3 | -41.9 | 176 | -66.6 | -179.4 | -174.9 | 134.3 | 0 | 112.2 | P980 C1021 F1022 | P980-K982 PolarHBondContact O-N 2.9Å; K982-C1021 PolarHBondContact N-O 3.26Å; K982-F1022 WeakPolarHBondContact CD-OXT 3.35Å; K982-F1022 WeakPolarHBondContact CE-OXT 3.44Å; K982-F1022 PolarHBondContact NZ-O 2.79Å; K982-F1022 PolarHBondContact NZ-OXT 3.34Å | ||
| 983 | E | 94.8 | Very high | 95.5 | Very high | 89 Ų | 89 | 50.2 Ų | 50.2 | 42% | 0.416 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 150.8 | -179.8 | -52.7 | -176.6 | 177.3 | 0 | 0 | 110.8 | V981 W985 C1021 | V981-E983 WeakPolarHBondContact CG1-O 3.48Å; E983-W985 PolarHBondContact OE2-NE1 3.02Å; E983-C1021 HydrophobicContact CB-CB 4.08Å; E983-C1021 PolarHBondContact N-O 2.86Å; E983-C1021 PolarHBondContact O-N 2.79Å |
| 984 | A | 96.6 | Very high | 95.3 | Very high | 3 Ų | 3 | 52.5 Ų | 52.5 | 3% | 0.025 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 129.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | A999 I1001 I1006 L1019 L1020 | A984-A999 HydrophobicContact CB-CB 3.85Å; A984-A999 PolarHBondContact O-N 3.34Å; A984-I1001 HydrophobicContact CB-CD1 4.24Å; A984-I1001 HydrophobicContact CB-CG1 4.35Å; A984-I1006 HydrophobicContact CB-CD1 3.84Å; A984-I1006 HydrophobicContact CB-CG1 4.34Å; A984-I1006 HydrophobicContact CB-CG2 4.43Å; A984-L1019 WeakPolarHBondContact CA-O 3.19Å; A984-L1020 HydrophobicContact CB-CD2 3.76Å |
| 985 | W | 96.9 | Very high | 95 | Very high | 40 Ų | 40 | 55.5 Ų | 55.5 | 15% | 0.152 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 137.8 | -174.5 | -64 | 91.2 | 0 | 0 | 0 | 110.7 | E983 R993 P995 P998 L1018 L1019 | E983-W985 PolarHBondContact OE2-NE1 3.02Å; W985-R993 HydrophobicContact CB-CG 3.99Å; W985-R993 VanDerWaalsContact CD2-CZ 3.5Å; W985-R993 VanDerWaalsContact CD2-NE 3.27Å; W985-R993 VanDerWaalsContact CD2-NH2 3.34Å; W985-R993 HydrophobicContact CG-CG 4.29Å; W985-R993 VanDerWaalsContact CH2-NH2 3.25Å; W985-P995 WeakPolarHBondContact CZ3-O 3.15Å; W985-P998 HydrophobicContact CD2-CB 4.49Å; W985-P998 HydrophobicContact CE3-CB 3.94Å; W985-P998 HydrophobicContact CH2-CB 3.98Å; W985-P998 HydrophobicContact CZ3-CB 3.67Å; W985-P998 HydrophobicContact CZ3-CG 4.23Å; W985-L1018 CarbonylContact O-C 3.54Å; W985-L1018 WeakPolarHBondContact O-CA 3.23Å; W985-L1019 PolarHBondContact N-O 2.87Å; W985-L1019 PolarHBondContact O-N 3.24Å |
| 986 | H | 97.7 | Very high | 94.7 | Very high | 30 Ų | 30 | 60.9 Ų | 60.9 | 14% | 0.139 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 141.2 | 167.1 | -75.8 | -91.2 | 0 | 0 | 0 | 110.1 | D994 R997 | H986-D994 PolarHBondContact O-N 2.97Å; H986-R997 HydrophobicContact CB-CB 3.98Å; H986-R997 PolarHBondContact CD2-O 2.99Å; H986-R997 PolarHBondContact N-O 2.99Å; H986-R997 VanDerWaalsContact N-O 3.11Å |
| 987 | C | 96.9 | Very high | 94.5 | Very high | 14 Ų | 14 | 61 Ų | 61 | 10% | 0.095 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 164.1 | 168.7 | 61.3 | 0 | 0 | 0 | 0 | 110.1 | R992 T1017 L1019 | C987-R992 VanDerWaalsContact CA-O 3.23Å; C987-R992 WeakPolarHBondContact CA-O 3.37Å; C987-R992 VanDerWaalsContact CB-O 3.24Å; C987-R992 WeakPolarHBondContact CB-O 3.36Å; C987-T1017 PolarHBondContact N-O 2.77Å; C987-T1017 WeakPolarHBondContact SG-CG2 3.4Å; C987-L1019 HydrophobicContact CB-CD1 3.91Å; C987-L1019 HydrophobicContact CB-CG 4.09Å |
| 988 | D | 97 | Very high | 94.5 | Very high | 43 Ų | 43 | 63 Ų | 63 | 23% | 0.23 | 32% | 0.319 | C | S | . | . | trans | -79.9 | -178.9 | 171.9 | 72.4 | 9.4 | 0 | 0 | 0 | 111.7 | G386 L990 E991 R992 | G386-D988 WeakPolarHBondContact O-CB 3.21Å; D988-L990 PolarHBondContact O-N 3.32Å; D988-L990 VanDerWaalsContact OD1-C 3.3Å; D988-L990 WeakPolarHBondContact OD1-CA 3.39Å; D988-L990 WeakPolarHBondContact OD1-CB 3.26Å; D988-L990 PolarHBondContact OD1-N 3.02Å; D988-E991 WeakPolarHBondContact O-CA 3.47Å; D988-E991 PolarHBondContact O-N 3.27Å; D988-E991 PolarHBondContact OD1-N 3.15Å; D988-E991 VanDerWaalsContact OD1-N 3.11Å; D988-R992 PolarHBondContact N-O 3.44Å; D988-R992 WeakPolarHBondContact OD1-CB 3.35Å; D988-R992 PolarHBondContact OD1-N 3.02Å; D988-R992 IonicContact OD1-NE 2.7Å; D988-R992 IonicContact OD2-CZ 3.83Å; D988-R992 IonicContact OD2-NE 3.94Å; D988-R992 PolarHBondContact OD2-NE 3.49Å; D988-R992 IonicContact OD2-NH2 3.06Å; D988-R992 PolarHBondContact OD2-NH2 3.44Å | ||
| 989 | L | 98.1 | Very high | 94.5 | Very high | 7 Ų | 7 | 57.8 Ų | 57.8 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -12.3 | -177.7 | -63 | 178.9 | 0 | 0 | 0 | 113.3 | V347 I383 G386 C387 R962 E991 I1015 T1017 | V347-L989 HydrophobicContact CG1-CB 3.82Å; V347-L989 HydrophobicContact CG1-CD2 4.43Å; V347-L989 HydrophobicContact CG2-CD1 4.12Å; V347-L989 HydrophobicContact CG2-CD2 4.34Å; I383-L989 HydrophobicContact CB-CD1 4.4Å; I383-L989 HydrophobicContact CG2-CD1 4.21Å; G386-L989 WeakPolarHBondContact O-CB 3.28Å; G386-L989 PolarHBondContact O-N 3.18Å; C387-L989 VanDerWaalsContact SG-CB 3.59Å; R962-L989 PolarHBondContact NH2-O 3.35Å; L989-E991 VanDerWaalsContact C-N 3.28Å; L989-I1015 HydrophobicContact CD2-CG2 3.85Å; L989-T1017 WeakPolarHBondContact CD2-OG1 3.31Å |
| 990 | L | 97.5 | Very high | 94.7 | Very high | 15 Ų | 15 | 65.8 Ų | 65.8 | 8% | 0.079 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 10.1 | 168.4 | -56.9 | -176.2 | 0 | 0 | 0 | 112.6 | L351 Q354 Y364 C387 D988 R992 | L351-L990 HydrophobicContact CD1-CD2 4.23Å; Q354-L990 HydrophobicContact CB-CD1 3.93Å; Q354-L990 HydrophobicContact CB-CD2 3.95Å; Q354-L990 HydrophobicContact CG-CD1 3.97Å; Q354-L990 HydrophobicContact CG-CD2 4.05Å; Y364-L990 HydrophobicContact CD1-CD1 4.13Å; Y364-L990 HydrophobicContact CE1-CD1 4.03Å; C387-L990 HydrophobicContact CB-CD2 4.27Å; C387-L990 HydrophobicContact CB-CG 4.4Å; C387-L990 WeakPolarHBondContact O-CD1 3.4Å; D988-L990 PolarHBondContact O-N 3.32Å; D988-L990 VanDerWaalsContact OD1-C 3.3Å; D988-L990 WeakPolarHBondContact OD1-CA 3.39Å; D988-L990 WeakPolarHBondContact OD1-CB 3.26Å; D988-L990 PolarHBondContact OD1-N 3.02Å; L990-R992 HydrophobicContact CB-CG 4.33Å; L990-R992 PolarHBondContact O-N 3.05Å |
| 991 | E | 97 | Very high | 94.9 | Very high | 18 Ų | 18 | 65.4 Ų | 65.4 | 8% | 0.084 | 31% | 0.313 | C | S | . | . | trans | 67.3 | 18.3 | 176.4 | -47.7 | 171.9 | -170.8 | 0 | 0 | 113.6 | K950 E953 V960 D988 L989 R993 | K950-E991 WeakPolarHBondContact CE-OE1 3.38Å; K950-E991 IonicContact NZ-OE1 3.7Å; E953-E991 VanDerWaalsContact CB-OE2 3.25Å; E953-E991 WeakPolarHBondContact CB-OE2 3.16Å; E953-E991 VanDerWaalsContact CG-OE2 3.31Å; E953-E991 WeakPolarHBondContact CG-OE2 3.32Å; E953-E991 PolarHBondContact N-OE2 3.34Å; V960-E991 HydrophobicContact CG1-CG 4.44Å; V960-E991 HydrophobicContact CG2-CB 4.24Å; V960-E991 HydrophobicContact CG2-CG 3.84Å; D988-E991 WeakPolarHBondContact O-CA 3.47Å; D988-E991 PolarHBondContact O-N 3.27Å; D988-E991 PolarHBondContact OD1-N 3.15Å; D988-E991 VanDerWaalsContact OD1-N 3.11Å; L989-E991 VanDerWaalsContact C-N 3.28Å; E991-R993 PolarHBondContact O-N 2.89Å | ||
| 992 | R | 94.8 | Very high | 94.9 | Very high | 90 Ų | 90 | 66 Ų | 66 | 34% | 0.34 | 32% | 0.317 | S | S | . | . | trans | -78.1 | 114.8 | 176.1 | -59.2 | -179.9 | -62.7 | -157.8 | -4.2 | 109 | C987 D988 L990 D994 | C987-R992 VanDerWaalsContact CA-O 3.23Å; C987-R992 WeakPolarHBondContact CA-O 3.37Å; C987-R992 VanDerWaalsContact CB-O 3.24Å; C987-R992 WeakPolarHBondContact CB-O 3.36Å; D988-R992 PolarHBondContact N-O 3.44Å; D988-R992 WeakPolarHBondContact OD1-CB 3.35Å; D988-R992 PolarHBondContact OD1-N 3.02Å; D988-R992 IonicContact OD1-NE 2.7Å; D988-R992 IonicContact OD2-CZ 3.83Å; D988-R992 IonicContact OD2-NE 3.94Å; D988-R992 PolarHBondContact OD2-NE 3.49Å; D988-R992 IonicContact OD2-NH2 3.06Å; D988-R992 PolarHBondContact OD2-NH2 3.44Å; L990-R992 HydrophobicContact CB-CG 4.33Å; L990-R992 PolarHBondContact O-N 3.05Å; R992-D994 PolarHBondContact O-N 2.85Å | ||
| 993 | R | 94.6 | Very high | 94.7 | Very high | 113 Ų | 113 | 65.2 Ų | 65.2 | 43% | 0.426 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 133.3 | 177.6 | 178.9 | 174.4 | 166.9 | -179 | -5.4 | 111.4 | W985 E991 P995 L1019 | W985-R993 HydrophobicContact CB-CG 3.99Å; W985-R993 VanDerWaalsContact CD2-CZ 3.5Å; W985-R993 VanDerWaalsContact CD2-NE 3.27Å; W985-R993 VanDerWaalsContact CD2-NH2 3.34Å; W985-R993 HydrophobicContact CG-CG 4.29Å; W985-R993 VanDerWaalsContact CH2-NH2 3.25Å; E991-R993 PolarHBondContact O-N 2.89Å; R993-P995 WeakPolarHBondContact O-CD 3.45Å; R993-L1019 HydrophobicContact CB-CD1 3.78Å; R993-L1019 HydrophobicContact CG-CD1 4.48Å |
| 994 | D | 93.3 | Very high | 94.4 | Very high | 48 Ų | 48 | 66.7 Ų | 66.7 | 26% | 0.257 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 104.1 | 165.8 | -173.1 | -17.3 | 0 | 0 | 0 | 109.8 | H986 R992 T996 R997 | H986-D994 PolarHBondContact O-N 2.97Å; R992-D994 PolarHBondContact O-N 2.85Å; D994-T996 PolarHBondContact O-N 2.93Å; D994-T996 WeakPolarHBondContact OD1-CA 3.41Å; D994-T996 WeakPolarHBondContact OD1-CB 3.5Å; D994-T996 PolarHBondContact OD1-N 3.26Å; D994-T996 PolarHBondContact OD1-OG1 2.95Å; D994-R997 HydrophobicContact CB-CB 4.28Å; D994-R997 PolarHBondContact O-N 3.4Å; D994-R997 WeakPolarHBondContact OD2-CD 3.44Å; D994-R997 WeakPolarHBondContact OD2-CG 3.38Å |
| 995 | P | 90.2 | Very high | 94.3 | Very high | 91 Ų | 91 | 67.2 Ų | 67.2 | 59% | 0.591 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.2 | -12.8 | -179.2 | 30.3 | -35.8 | 0 | 0 | 0 | 113.2 | W985 R993 | W985-P995 WeakPolarHBondContact CZ3-O 3.15Å; R993-P995 WeakPolarHBondContact O-CD 3.45Å |
| 996 | T | 92.8 | Very high | 94.3 | Very high | 113 Ų | 113 | 65.6 Ų | 65.6 | 69% | 0.693 | 34% | 0.337 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88 | -10 | 178.8 | 72.6 | 0 | 0 | 0 | 0 | 112.8 | D994 P998 | D994-T996 PolarHBondContact O-N 2.93Å; D994-T996 WeakPolarHBondContact OD1-CA 3.41Å; D994-T996 WeakPolarHBondContact OD1-CB 3.5Å; D994-T996 PolarHBondContact OD1-N 3.26Å; D994-T996 PolarHBondContact OD1-OG1 2.95Å; T996-P998 WeakPolarHBondContact O-CD 3.31Å |
| 997 | R | 92.3 | Very high | 94.3 | Very high | 125 Ų | 125 | 65.5 Ų | 65.5 | 47% | 0.472 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 70.1 | -175 | -64.3 | 179.5 | 67.2 | -166.5 | -0.9 | 112.3 | H986 D994 | H986-R997 HydrophobicContact CB-CB 3.98Å; H986-R997 PolarHBondContact CD2-O 2.99Å; H986-R997 PolarHBondContact N-O 2.99Å; H986-R997 VanDerWaalsContact N-O 3.11Å; D994-R997 HydrophobicContact CB-CB 4.28Å; D994-R997 PolarHBondContact O-N 3.4Å; D994-R997 WeakPolarHBondContact OD2-CD 3.44Å; D994-R997 WeakPolarHBondContact OD2-CG 3.38Å |
| 998 | P | 94 | Very high | 94.3 | Very high | 78 Ų | 78 | 65 Ų | 65 | 51% | 0.506 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 139.6 | 167.5 | 28 | -32.8 | 0 | 0 | 0 | 110.4 | W985 T996 | W985-P998 HydrophobicContact CD2-CB 4.49Å; W985-P998 HydrophobicContact CE3-CB 3.94Å; W985-P998 HydrophobicContact CH2-CB 3.98Å; W985-P998 HydrophobicContact CZ3-CB 3.67Å; W985-P998 HydrophobicContact CZ3-CG 4.23Å; T996-P998 WeakPolarHBondContact O-CD 3.31Å |
| 999 | A | 94.7 | Very high | 94.3 | Very high | 10 Ų | 10 | 68.3 Ų | 68.3 | 8% | 0.083 | 35% | 0.354 | C | S | . | . | trans | -76.3 | 143 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110 | A984 I1001 I1006 L1008 L1018 | A984-A999 HydrophobicContact CB-CB 3.85Å; A984-A999 PolarHBondContact O-N 3.34Å; A999-I1001 PolarHBondContact O-N 2.93Å; A999-I1001 VanDerWaalsContact O-N 3.17Å; A999-I1006 HydrophobicContact CB-CG2 3.77Å; A999-L1008 HydrophobicContact CB-CD2 4.26Å; A999-L1018 HydrophobicContact CB-CD2 4.05Å | ||
| 1000 | R | 94.2 | Very high | 94.3 | Very high | 182 Ų | 182 | 68.3 Ų | 68.3 | 69% | 0.687 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 104.2 | -175.4 | -174.9 | -178 | 178.7 | -174.8 | -1.2 | 110.6 | T1002 S1007 | R1000-T1002 HydrophobicContact CG-CG2 4.11Å; R1000-S1007 PolarHBondContact O-N 3.08Å |
| 1001 | I | 94.4 | Very high | 94.3 | Very high | 84 Ų | 84 | 73 Ų | 73 | 43% | 0.431 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 128.8 | 171.6 | -52.8 | -177.8 | 0 | 0 | 0 | 109.4 | A984 A999 I1006 | A984-I1001 HydrophobicContact CB-CD1 4.24Å; A984-I1001 HydrophobicContact CB-CG1 4.35Å; A999-I1001 PolarHBondContact O-N 2.93Å; A999-I1001 VanDerWaalsContact O-N 3.17Å; I1001-I1006 HydrophobicContact CG1-CG1 4.34Å |
| 1002 | T | 92.3 | Very high | 94.4 | Very high | 46 Ų | 46 | 74.3 Ų | 74.3 | 28% | 0.282 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 173 | 177.2 | 72.2 | 0 | 0 | 0 | 0 | 110.3 | R1000 E1004 G1005 | R1000-T1002 HydrophobicContact CG-CG2 4.11Å; T1002-E1004 PolarHBondContact O-N 2.81Å; T1002-E1004 PolarHBondContact OG1-N 2.81Å; T1002-G1005 PolarHBondContact N-O 2.99Å; T1002-G1005 PolarHBondContact O-N 2.89Å; T1002-G1005 PolarHBondContact OG1-N 3.44Å; T1002-G1005 PolarHBondContact OG1-O 3.07Å |
| 1003 | S | 88 | Confident | 94.6 | Very high | 130 Ų | 130 | 71.2 Ų | 71.2 | 91% | 0.909 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -20.3 | 171.7 | 53.4 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1004 | E | 88.8 | Confident | 94.8 | Very high | 121 Ų | 121 | 68 Ų | 68 | 57% | 0.565 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | -4.4 | -179 | -62.3 | -170.1 | -179.4 | 0 | 0 | 113.8 | T974 R976 T1002 | T974-E1004 VanDerWaalsContact CG2-O 3.26Å; T974-E1004 WeakPolarHBondContact CG2-O 3.27Å; R976-E1004 WeakPolarHBondContact CG-O 3.37Å; R976-E1004 PolarHBondContact NE-O 3.25Å; R976-E1004 VanDerWaalsContact NE-O 3.08Å; T1002-E1004 PolarHBondContact O-N 2.81Å; T1002-E1004 PolarHBondContact OG1-N 2.81Å |
| 1005 | G | 94.6 | Very high | 95 | Very high | 14 Ų | 14 | 66.7 Ų | 66.7 | 14% | 0.144 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 128.1 | -170.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | L975 T1002 | L975-G1005 WeakPolarHBondContact O-CA 3.44Å; T1002-G1005 PolarHBondContact N-O 2.99Å; T1002-G1005 PolarHBondContact O-N 2.89Å; T1002-G1005 PolarHBondContact OG1-N 3.44Å; T1002-G1005 PolarHBondContact OG1-O 3.07Å |
| 1006 | I | 97.4 | Very high | 95.4 | Very high | 6 Ų | 6 | 62.8 Ų | 62.8 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 116.5 | 176.2 | -55.5 | 166 | 0 | 0 | 0 | 108.5 | T974 L975 V981 A984 A999 I1001 L1008 L1018 L1020 | T974-I1006 WeakPolarHBondContact CA-O 3.39Å; L975-I1006 HydrophobicContact CB-CB 4.34Å; L975-I1006 HydrophobicContact CD2-CD1 4.33Å; L975-I1006 PolarHBondContact N-O 3.37Å; L975-I1006 PolarHBondContact O-N 2.98Å; V981-I1006 HydrophobicContact CG1-CD1 4.47Å; A984-I1006 HydrophobicContact CB-CD1 3.84Å; A984-I1006 HydrophobicContact CB-CG1 4.34Å; A984-I1006 HydrophobicContact CB-CG2 4.43Å; A999-I1006 HydrophobicContact CB-CG2 3.77Å; I1001-I1006 HydrophobicContact CG1-CG1 4.34Å; I1006-L1008 HydrophobicContact CG2-CD2 4.06Å; I1006-L1008 HydrophobicContact CG2-CG 4.27Å; I1006-L1018 HydrophobicContact CG2-CD1 4.19Å; I1006-L1020 HydrophobicContact CD1-CD2 3.67Å |
| 1007 | S | 97.2 | Very high | 95.7 | Very high | 28 Ų | 28 | 57.6 Ų | 57.6 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 128.2 | -179.8 | -178.8 | 0 | 0 | 0 | 0 | 111 | A973 R1000 | A973-S1007 WeakPolarHBondContact O-CA 3.31Å; R1000-S1007 PolarHBondContact O-N 3.08Å |
| 1008 | L | 97.4 | Very high | 96 | Very high | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.016 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.6 | -175.2 | -58.6 | 172 | 0 | 0 | 0 | 109.8 | L963 T972 A973 A999 I1006 F1010 L1018 | L963-L1008 HydrophobicContact CD1-CD1 4.27Å; L963-L1008 HydrophobicContact CD2-CD1 4.41Å; T972-L1008 CarbonylContact C-O 3.54Å; T972-L1008 VanDerWaalsContact CA-O 3.32Å; T972-L1008 WeakPolarHBondContact CA-O 3.49Å; A973-L1008 PolarHBondContact N-O 3.11Å; A973-L1008 PolarHBondContact O-N 3.3Å; A999-L1008 HydrophobicContact CB-CD2 4.26Å; I1006-L1008 HydrophobicContact CG2-CD2 4.06Å; I1006-L1008 HydrophobicContact CG2-CG 4.27Å; L1008-F1010 HydrophobicContact CB-CD2 4.25Å; L1008-F1010 HydrophobicContact CB-CE2 3.58Å; L1008-F1010 HydrophobicContact CB-CZ 4.37Å; L1008-F1010 HydrophobicContact CD1-CE2 4.11Å; L1008-F1010 HydrophobicContact CD1-CZ 4.24Å; L1008-L1018 HydrophobicContact CD1-CD1 3.87Å; L1008-L1018 HydrophobicContact CD2-CD1 3.96Å; L1008-L1018 HydrophobicContact CD2-CD2 4.04Å; L1008-L1018 HydrophobicContact CG-CD1 4.46Å |
| 1009 | N | 97.2 | Very high | 96.1 | Very high | 113 Ų | 113 | 48.2 Ų | 48.2 | 60% | 0.604 | 25% | 0.254 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 135.9 | 172.3 | -63.4 | -39.9 | 0 | 0 | 0 | 109.1 | T972 | T972-N1009 WeakPolarHBondContact CG2-OD1 3.43Å; T972-N1009 PolarHBondContact OG1-OD1 2.64Å |
| 1010 | F | 98.3 | Very high | 96.2 | Very high | 6 Ų | 6 | 47.8 Ų | 47.8 | 3% | 0.026 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 139.3 | 178.6 | -71.3 | -99 | 0 | 0 | 0 | 110.5 | V944 L963 E965 S970 V971 A973 L1008 Q1014 V1016 | V944-F1010 HydrophobicContact CG1-CD2 4.47Å; V944-F1010 HydrophobicContact CG1-CE1 4.02Å; V944-F1010 HydrophobicContact CG1-CE2 3.86Å; V944-F1010 HydrophobicContact CG1-CZ 3.62Å; V944-F1010 HydrophobicContact CG2-CD2 3.84Å; V944-F1010 HydrophobicContact CG2-CE2 4.01Å; V944-F1010 HydrophobicContact CG2-CG 4.14Å; V944-F1010 HydrophobicContact CG2-CZ 4.44Å; L963-F1010 HydrophobicContact CB-CE1 4.2Å; L963-F1010 HydrophobicContact CB-CZ 3.82Å; E965-F1010 HydrophobicContact CB-CB 3.95Å; E965-F1010 HydrophobicContact CB-CD1 3.95Å; E965-F1010 HydrophobicContact CB-CG 4.22Å; E965-F1010 HydrophobicContact CG-CB 4.09Å; S970-F1010 CarbonylContact C-O 3.23Å; S970-F1010 VanDerWaalsContact CA-O 3.28Å; S970-F1010 WeakPolarHBondContact CA-O 3.45Å; V971-F1010 HydrophobicContact CG1-CB 4.03Å; V971-F1010 PolarHBondContact N-O 2.99Å; V971-F1010 PolarHBondContact O-N 2.77Å; A973-F1010 HydrophobicContact CB-CD2 4.17Å; A973-F1010 HydrophobicContact CB-CE2 3.97Å; L1008-F1010 HydrophobicContact CB-CD2 4.25Å; L1008-F1010 HydrophobicContact CB-CE2 3.58Å; L1008-F1010 HydrophobicContact CB-CZ 4.37Å; L1008-F1010 HydrophobicContact CD1-CE2 4.11Å; L1008-F1010 HydrophobicContact CD1-CZ 4.24Å; F1010-Q1014 HydrophobicContact CD1-CB 4.16Å; F1010-Q1014 WeakPolarHBondContact CD1-O 3.37Å; F1010-V1016 HydrophobicContact CD1-CG2 3.82Å; F1010-V1016 HydrophobicContact CE1-CB 3.62Å; F1010-V1016 HydrophobicContact CE1-CG2 3.37Å; F1010-V1016 HydrophobicContact CZ-CB 3.83Å; F1010-V1016 HydrophobicContact CZ-CG1 4.49Å; F1010-V1016 HydrophobicContact CZ-CG2 3.84Å |
| 1011 | E | 97.9 | Very high | 96.2 | Very high | 115 Ų | 115 | 40 Ų | 40 | 54% | 0.537 | 22% | 0.223 | S | C | . | . | trans | -88.7 | 164.7 | 158.3 | -68.3 | -175.4 | 171.2 | 0 | 0 | 110.1 | S969 F1013 Q1014 | S969-E1011 CarbonylContact O-C 3.59Å; E1011-F1013 PolarHBondContact O-N 2.86Å; E1011-Q1014 HydrophobicContact CB-CB 4.34Å; E1011-Q1014 WeakPolarHBondContact O-CB 3.36Å; E1011-Q1014 PolarHBondContact O-N 2.91Å | ||
| 1012 | P | 98.3 | Very high | 95.9 | Very high | 45 Ų | 45 | 39.1 Ų | 39.1 | 29% | 0.292 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.4 | 128.3 | 177.8 | -30.6 | 38.1 | 0 | 0 | 0 | 112.3 | D416 Q1014 | D416-P1012 WeakPolarHBondContact CA-O 3.27Å; D416-P1012 VanDerWaalsContact CB-O 3.31Å; D416-P1012 WeakPolarHBondContact CB-O 3.46Å; P1012-Q1014 PolarHBondContact O-N 3.09Å; P1012-Q1014 VanDerWaalsContact O-N 3.13Å |
| 1013 | F | 98.6 | Very high | 96.1 | Very high | 24 Ų | 24 | 38.8 Ų | 38.8 | 11% | 0.105 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 21 | -179.4 | -51 | -70.6 | 0 | 0 | 0 | 115.5 | Q379 Q382 L415 D416 H823 E965 E1011 I1015 | Q379-F1013 PolarHBondContact NE2-O 3.35Å; Q382-F1013 PolarHBondContact NE2-O 2.92Å; Q382-F1013 VanDerWaalsContact NE2-O 3.14Å; Q382-F1013 PolarHBondContact OE1-O 3.22Å; L415-F1013 HydrophobicContact CB-CB 3.88Å; L415-F1013 HydrophobicContact CB-CD2 3.57Å; L415-F1013 HydrophobicContact CB-CE2 4.17Å; L415-F1013 HydrophobicContact CB-CG 3.77Å; L415-F1013 HydrophobicContact CD1-CD1 4.04Å; L415-F1013 HydrophobicContact CD1-CD2 4.27Å; L415-F1013 HydrophobicContact CD1-CE1 4.2Å; L415-F1013 HydrophobicContact CD1-CE2 4.4Å; L415-F1013 HydrophobicContact CD1-CG 4.04Å; L415-F1013 HydrophobicContact CD1-CZ 4.35Å; D416-F1013 HydrophobicContact CB-CB 4.37Å; H823-F1013 AromaticContact CE1-CE1 3.35Å; H823-F1013 WeakPolarHBondContact CE1-CE1 3.31Å; H823-F1013 AromaticContact CE1-CZ 3.22Å; H823-F1013 WeakPolarHBondContact CE1-CZ 3.17Å; H823-F1013 AromaticContact ND1-CE1 3.37Å; H823-F1013 WeakPolarHBondContact ND1-CE1 3.5Å; H823-F1013 AromaticContact ND1-CZ 3.26Å; H823-F1013 VanDerWaalsContact ND1-CZ 3.26Å; H823-F1013 WeakPolarHBondContact ND1-CZ 3.46Å; E965-F1013 VanDerWaalsContact O-CA 3.3Å; E965-F1013 WeakPolarHBondContact O-CA 3.44Å; E965-F1013 PolarHBondContact OE2-N 2.67Å; E1011-F1013 PolarHBondContact O-N 2.86Å; F1013-I1015 PolarHBondContact O-N 2.94Å |
| 1014 | Q | 98.6 | Very high | 96.5 | Very high | 46 Ų | 46 | 33.9 Ų | 33.9 | 22% | 0.215 | 18% | 0.177 | C | C | . | . | trans | -70.9 | 127.8 | -178.9 | -170.4 | 173.8 | 32.9 | 0 | 0 | 111.7 | Q382 Y964 E965 F1010 E1011 P1012 V1016 | Q382-Q1014 VanDerWaalsContact NE2-CA 3.31Å; Y964-Q1014 VanDerWaalsContact CA-O 3.3Å; Y964-Q1014 WeakPolarHBondContact CA-O 3.33Å; E965-Q1014 PolarHBondContact N-O 2.8Å; F1010-Q1014 HydrophobicContact CD1-CB 4.16Å; F1010-Q1014 WeakPolarHBondContact CD1-O 3.37Å; E1011-Q1014 HydrophobicContact CB-CB 4.34Å; E1011-Q1014 WeakPolarHBondContact O-CB 3.36Å; E1011-Q1014 PolarHBondContact O-N 2.91Å; P1012-Q1014 PolarHBondContact O-N 3.09Å; P1012-Q1014 VanDerWaalsContact O-N 3.13Å; Q1014-V1016 HydrophobicContact CG-CG2 4.09Å | ||
| 1015 | I | 98.7 | Very high | 96.9 | Very high | 21 Ų | 21 | 29.1 Ų | 29.1 | 11% | 0.108 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 128.3 | 166.6 | -58.6 | 161.7 | 0 | 0 | 0 | 109 | Q379 Q382 I383 F821 R962 L963 L989 F1013 | Q379-I1015 HydrophobicContact CG-CD1 4.41Å; Q382-I1015 VanDerWaalsContact NE2-N 3.16Å; I383-I1015 HydrophobicContact CG1-CD1 4.02Å; F821-I1015 HydrophobicContact CB-CD1 4.02Å; F821-I1015 HydrophobicContact CB-CG1 4.01Å; F821-I1015 HydrophobicContact CD1-CG1 4.43Å; F821-I1015 HydrophobicContact CD2-CD1 3.31Å; F821-I1015 HydrophobicContact CD2-CG1 4.05Å; F821-I1015 HydrophobicContact CE2-CD1 3.76Å; F821-I1015 HydrophobicContact CG-CD1 3.73Å; F821-I1015 HydrophobicContact CG-CG1 3.95Å; R962-I1015 HydrophobicContact CG-CG2 3.92Å; L963-I1015 WeakPolarHBondContact O-CA 3.3Å; L989-I1015 HydrophobicContact CD2-CG2 3.85Å; F1013-I1015 PolarHBondContact O-N 2.94Å |
| 1016 | V | 98.3 | Very high | 97.1 | Very high | 8 Ų | 8 | 30 Ų | 30 | 5% | 0.048 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 127.1 | 176.5 | 174.6 | 0 | 0 | 0 | 0 | 109.2 | L963 F1010 Q1014 L1018 | L963-V1016 PolarHBondContact N-O 3.41Å; L963-V1016 PolarHBondContact O-N 2.89Å; L963-V1016 VanDerWaalsContact O-O 3.13Å; F1010-V1016 HydrophobicContact CD1-CG2 3.82Å; F1010-V1016 HydrophobicContact CE1-CB 3.62Å; F1010-V1016 HydrophobicContact CE1-CG2 3.37Å; F1010-V1016 HydrophobicContact CZ-CB 3.83Å; F1010-V1016 HydrophobicContact CZ-CG1 4.49Å; F1010-V1016 HydrophobicContact CZ-CG2 3.84Å; Q1014-V1016 HydrophobicContact CG-CG2 4.09Å; V1016-L1018 HydrophobicContact CG1-CD2 4.16Å; V1016-L1018 HydrophobicContact CG1-CG 4.42Å |
| 1017 | T | 98.4 | Very high | 97 | Very high | 4 Ų | 4 | 31.5 Ų | 31.5 | 3% | 0.025 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 136.3 | 172.7 | -50.7 | 0 | 0 | 0 | 0 | 109.8 | V960 V961 R962 C987 L989 | V960-T1017 HydrophobicContact CG1-CG2 3.5Å; V960-T1017 VanDerWaalsContact CG1-CG2 3.5Å; V961-T1017 WeakPolarHBondContact O-CA 3.41Å; R962-T1017 HydrophobicContact CB-CG2 4.43Å; R962-T1017 PolarHBondContact NE-OG1 3.37Å; R962-T1017 VanDerWaalsContact NE-OG1 3.13Å; C987-T1017 PolarHBondContact N-O 2.77Å; C987-T1017 WeakPolarHBondContact SG-CG2 3.4Å; L989-T1017 WeakPolarHBondContact CD2-OG1 3.31Å |
| 1018 | L | 98 | Very high | 97 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 146.3 | 175.8 | -54.2 | 175.3 | 0 | 0 | 0 | 111.3 | V960 V961 L963 W985 A999 I1006 L1008 V1016 L1020 | V960-L1018 WeakPolarHBondContact CA-O 3.46Å; V961-L1018 HydrophobicContact CG2-CB 3.69Å; V961-L1018 HydrophobicContact CG2-CD1 4.16Å; V961-L1018 HydrophobicContact CG2-CG 4.32Å; V961-L1018 PolarHBondContact N-O 2.62Å; V961-L1018 PolarHBondContact O-N 3.01Å; L963-L1018 HydrophobicContact CD1-CD1 4.48Å; W985-L1018 CarbonylContact O-C 3.54Å; W985-L1018 WeakPolarHBondContact O-CA 3.23Å; A999-L1018 HydrophobicContact CB-CD2 4.05Å; I1006-L1018 HydrophobicContact CG2-CD1 4.19Å; L1008-L1018 HydrophobicContact CD1-CD1 3.87Å; L1008-L1018 HydrophobicContact CD2-CD1 3.96Å; L1008-L1018 HydrophobicContact CD2-CD2 4.04Å; L1008-L1018 HydrophobicContact CG-CD1 4.46Å; V1016-L1018 HydrophobicContact CG1-CD2 4.16Å; V1016-L1018 HydrophobicContact CG1-CG 4.42Å; L1018-L1020 HydrophobicContact CB-CD2 4.31Å |
| 1019 | L | 97.1 | Very high | 97 | Very high | 7 Ų | 7 | 33.8 Ų | 33.8 | 4% | 0.037 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 120 | 161.8 | -74.6 | 164.9 | 0 | 0 | 0 | 109.3 | A952 N958 L959 V960 A984 W985 C987 R993 | A952-L1019 HydrophobicContact CB-CD2 3.79Å; N958-L1019 HydrophobicContact CB-CD2 4.41Å; L959-L1019 CarbonylContact O-C 3.56Å; L959-L1019 WeakPolarHBondContact O-CA 3.5Å; V960-L1019 HydrophobicContact CG2-CD2 3.62Å; A984-L1019 WeakPolarHBondContact CA-O 3.19Å; W985-L1019 PolarHBondContact N-O 2.87Å; W985-L1019 PolarHBondContact O-N 3.24Å; C987-L1019 HydrophobicContact CB-CD1 3.91Å; C987-L1019 HydrophobicContact CB-CG 4.09Å; R993-L1019 HydrophobicContact CB-CD1 3.78Å; R993-L1019 HydrophobicContact CG-CD1 4.48Å |
| 1020 | L | 96.6 | Very high | 97 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 125.7 | 174.3 | -52.9 | -174.9 | 0 | 0 | 0 | 109.9 | F937 N958 L959 V961 V981 A984 I1006 L1018 F1022 | F937-L1020 HydrophobicContact CE1-CD1 3.71Å; F937-L1020 HydrophobicContact CZ-CD1 3.8Å; N958-L1020 WeakPolarHBondContact CA-O 3.36Å; N958-L1020 WeakPolarHBondContact CB-O 3.38Å; L959-L1020 HydrophobicContact CB-CB 4.47Å; L959-L1020 PolarHBondContact N-O 2.87Å; L959-L1020 PolarHBondContact O-N 2.88Å; V961-L1020 HydrophobicContact CG1-CD1 3.7Å; V961-L1020 HydrophobicContact CG1-CG 4.27Å; V961-L1020 HydrophobicContact CG2-CD1 3.92Å; V961-L1020 HydrophobicContact CG2-CD2 4.16Å; V961-L1020 HydrophobicContact CG2-CG 3.91Å; V981-L1020 HydrophobicContact CG1-CB 4.39Å; V981-L1020 HydrophobicContact CG1-CD2 4.31Å; V981-L1020 HydrophobicContact CG2-CD1 4.32Å; A984-L1020 HydrophobicContact CB-CD2 3.76Å; I1006-L1020 HydrophobicContact CD1-CD2 3.67Å; L1018-L1020 HydrophobicContact CB-CD2 4.31Å; L1020-F1022 HydrophobicContact CB-CE2 3.89Å; L1020-F1022 HydrophobicContact CB-CZ 3.86Å; L1020-F1022 HydrophobicContact CD1-CZ 4.4Å; L1020-F1022 WeakPolarHBondContact O-CE2 3.43Å |
| 1021 | C | 93.6 | Very high | 96.9 | Very high | 18 Ų | 18 | 29.5 Ų | 29.5 | 12% | 0.122 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 136.6 | 179.1 | -56 | 0 | 0 | 0 | 0 | 110.2 | N958 K982 E983 | N958-C1021 WeakPolarHBondContact OD1-CA 3.24Å; N958-C1021 PolarHBondContact OD1-SG 3.47Å; K982-C1021 PolarHBondContact N-O 3.26Å; E983-C1021 HydrophobicContact CB-CB 4.08Å; E983-C1021 PolarHBondContact N-O 2.86Å; E983-C1021 PolarHBondContact O-N 2.79Å |
| 1022 | F | 88.6 | Confident | 96.8 | Very high | 66 Ų | 66 | 21.7 Ų | 21.7 | 29% | 0.289 | 11% | 0.113 | S | C | . | . | trans | -114.2 | 0 | -169.6 | -63.1 | -82.1 | 0 | 0 | 0 | 114.9 | L959 L979 P980 V981 K982 L1020 | L959-F1022 HydrophobicContact CB-CE2 3.93Å; L959-F1022 HydrophobicContact CB-CZ 4.45Å; L959-F1022 HydrophobicContact CD1-CE2 3.87Å; L959-F1022 HydrophobicContact CD1-CZ 3.91Å; L959-F1022 HydrophobicContact CG-CE2 3.6Å; L959-F1022 HydrophobicContact CG-CZ 4.16Å; L979-F1022 HydrophobicContact CB-CD1 4.22Å; L979-F1022 HydrophobicContact CB-CE1 3.49Å; L979-F1022 VanDerWaalsContact CB-CE1 3.49Å; L979-F1022 HydrophobicContact CB-CZ 4.34Å; L979-F1022 HydrophobicContact CD1-CE1 4.08Å; L979-F1022 HydrophobicContact CD1-CZ 4.14Å; L979-F1022 HydrophobicContact CG-CE1 4.44Å; P980-F1022 HydrophobicContact CG-CD1 4.33Å; V981-F1022 HydrophobicContact CB-CE1 4.38Å; V981-F1022 HydrophobicContact CG2-CD1 4.28Å; V981-F1022 HydrophobicContact CG2-CE1 3.51Å; V981-F1022 HydrophobicContact CG2-CZ 4.05Å; K982-F1022 WeakPolarHBondContact CD-OXT 3.35Å; K982-F1022 WeakPolarHBondContact CE-OXT 3.44Å; K982-F1022 PolarHBondContact NZ-O 2.79Å; K982-F1022 PolarHBondContact NZ-OXT 3.34Å; L1020-F1022 HydrophobicContact CB-CE2 3.89Å; L1020-F1022 HydrophobicContact CB-CZ 3.86Å; L1020-F1022 HydrophobicContact CD1-CZ 4.4Å; L1020-F1022 WeakPolarHBondContact O-CE2 3.43Å |
Retrieved 1,022 of 1,022 residues in 424.6 ms
(Link to these results)