| 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 | 25.2 | Very low | 51.6 | Low | 232 Ų | 232 | 120.1 Ų | 120.1 | 100% | 1.143 | 66% | 0.661 | S | S | * | * | 0 | 164.6 | 0 | -74.3 | 179 | 171 | 0 | 0 | 109 | |||||
| 2 | N | 28.5 | Very low | 54.8 | Low | 142 Ų | 142 | 117.2 Ų | 117.2 | 76% | 0.759 | 64% | 0.639 | S | S | * | * | trans | 60.2 | 63.6 | -177.9 | -63.7 | 19.2 | 0 | 0 | 0 | 115.5 | T4 | N2-T4 PolarHBondContact O-N 3.04Š| ||
| 3 | V | 30.6 | Very low | 57.7 | Low | 140 Ų | 140 | 110.3 Ų | 110.3 | 85% | 0.848 | 60% | 0.599 | S | S | * | * | trans | -88.3 | 79.3 | 161.2 | -178.1 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 4 | T | 33.8 | Very low | 60.2 | Low | 129 Ų | 129 | 102.4 Ų | 102.4 | 79% | 0.791 | 56% | 0.556 | S | S | * | * | trans | -146.8 | 64.3 | 176.7 | 54.7 | 0 | 0 | 0 | 0 | 110 | N2 | N2-T4 PolarHBondContact O-N 3.04Š| ||
| 5 | G | 34.6 | Very low | 62.5 | Low | 60 Ų | 60 | 98.1 Ų | 98.1 | 62% | 0.619 | 53% | 0.533 | S | S | * | . | trans | -128.2 | 113.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | H7 | G5-H7 PolarHBondContact O-N 2.78Š| ||
| 6 | L | 39.6 | Very low | 64.4 | Low | 127 Ų | 127 | 94.9 Ų | 94.9 | 67% | 0.665 | 52% | 0.515 | S | S | * | . | trans | -56.1 | 128.6 | 161.7 | -103.4 | 81 | 0 | 0 | 0 | 107.4 | R8 Y1749 | L6-R8 VanDerWaalsContact C-N 3.32Å; L6-R8 PolarHBondContact O-N 2.93Å; L6-Y1749 WeakPolarHBondContact CD1-OH 3.12Å | ||
| 7 | H | 52 | Low | 66.3 | Low | 182 Ų | 182 | 89.4 Ų | 89.4 | 84% | 0.843 | 49% | 0.485 | S | S | * | . | trans | -75.7 | 90.6 | 177.4 | -138.5 | -84.6 | 0 | 0 | 0 | 108.2 | G5 G9 | G5-H7 PolarHBondContact O-N 2.78Å; H7-G9 PolarHBondContact O-N 2.62Å | ||
| 8 | R | 66.3 | Low | 67.9 | Low | 110 Ų | 110 | 84.5 Ų | 84.5 | 42% | 0.415 | 46% | 0.458 | S | S | . | . | trans | -47 | 136.3 | -175.1 | -72 | -171.6 | 145.1 | 141.2 | -1 | 112.3 | L6 E12 K13 L16 | L6-R8 VanDerWaalsContact C-N 3.32Å; L6-R8 PolarHBondContact O-N 2.93Å; R8-E12 WeakPolarHBondContact CA-OE2 3.38Å; R8-E12 VanDerWaalsContact CB-OE2 3.32Å; R8-E12 WeakPolarHBondContact CB-OE2 3.37Å; R8-E12 WeakPolarHBondContact CD-OE1 3.4Å; R8-E12 VanDerWaalsContact CG-OE2 3.31Å; R8-E12 WeakPolarHBondContact CG-OE2 3.41Å; R8-E12 IonicContact CZ-OE1 3.83Å; R8-E12 IonicContact NE-OE1 2.66Å; R8-E12 PolarHBondContact NE-OE1 2.69Å; R8-E12 IonicContact NE-OE2 3.52Å; R8-E12 IonicContact NH2-OE1 3.28Å; R8-K13 HydrophobicContact CB-CG 4.13Å; R8-L16 VanDerWaalsContact CZ-CD1 3.44Å | ||
| 9 | G | 80.8 | Confident | 69.2 | Low | 39 Ų | 39 | 83.9 Ų | 83.9 | 40% | 0.402 | 46% | 0.461 | S | S | . | . | trans | -58.7 | 148.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | H7 E11 E12 K13 | H7-G9 PolarHBondContact O-N 2.62Å; G9-E11 PolarHBondContact O-N 2.84Å; G9-E12 PolarHBondContact N-OE2 2.87Å; G9-E12 WeakPolarHBondContact O-CB 3.32Å; G9-E12 PolarHBondContact O-N 2.79Å; G9-E12 VanDerWaalsContact O-N 3.11Å; G9-K13 PolarHBondContact O-N 2.68Å | ||
| 10 | L | 86 | Confident | 70.5 | Confident | 64 Ų | 64 | 80.3 Ų | 80.3 | 34% | 0.335 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.9 | -37.5 | 179.9 | 177.5 | 56.6 | 0 | 0 | 0 | 111.9 | K13 F14 L33 I37 F56 | L10-K13 PolarHBondContact O-N 3.23Å; L10-F14 PolarHBondContact O-N 2.95Å; L10-L33 HydrophobicContact CD1-CD1 4.48Å; L10-I37 HydrophobicContact CD1-CD1 3.39Å; L10-I37 HydrophobicContact CD1-CG1 4.27Å; L10-I37 HydrophobicContact CD2-CD1 4.4Å; L10-F56 HydrophobicContact CD1-CE1 4.04Å; L10-F56 HydrophobicContact CD1-CE2 3.89Å; L10-F56 HydrophobicContact CD1-CZ 3.3Å; L10-F56 HydrophobicContact CD2-CE1 4.37Å; L10-F56 HydrophobicContact CD2-CZ 4.25Å; L10-F56 HydrophobicContact CG-CE1 3.68Å; L10-F56 HydrophobicContact CG-CE2 4.3Å; L10-F56 HydrophobicContact CG-CZ 3.5Å; L10-F56 VanDerWaalsContact CG-CZ 3.5Å; L10-F56 WeakPolarHBondContact O-CE1 3.45Å; L10-F56 WeakPolarHBondContact O-CZ 3.42Å |
| 11 | E | 89.8 | Confident | 71.6 | Confident | 96 Ų | 96 | 81 Ų | 81 | 45% | 0.449 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.9 | -42.4 | 175.5 | -52.8 | -174 | 147.1 | 0 | 0 | 111.6 | G9 K13 F14 D15 Y59 | G9-E11 PolarHBondContact O-N 2.84Å; E11-K13 PolarHBondContact O-N 3.4Å; E11-F14 WeakPolarHBondContact O-CB 3.19Å; E11-F14 PolarHBondContact O-N 2.91Å; E11-F14 VanDerWaalsContact O-N 3.15Å; E11-D15 PolarHBondContact O-N 2.88Å; E11-Y59 HydrophobicContact CB-CD1 3.91Å; E11-Y59 HydrophobicContact CB-CD2 4.15Å; E11-Y59 HydrophobicContact CB-CE1 3.94Å; E11-Y59 HydrophobicContact CB-CE2 4.24Å; E11-Y59 HydrophobicContact CB-CG 4.04Å; E11-Y59 HydrophobicContact CG-CD1 3.97Å; E11-Y59 HydrophobicContact CG-CD2 3.85Å; E11-Y59 HydrophobicContact CG-CE1 4.47Å; E11-Y59 HydrophobicContact CG-CE2 4.42Å; E11-Y59 HydrophobicContact CG-CG 3.66Å; E11-Y59 WeakPolarHBondContact OE1-CB 3.48Å; E11-Y59 WeakPolarHBondContact OE1-CD2 3.49Å |
| 12 | E | 90.8 | Very high | 74.8 | Confident | 85 Ų | 85 | 73 Ų | 73 | 40% | 0.397 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 175 | -169.2 | -162 | 163.6 | 0 | 0 | 111.4 | R8 G9 F14 D15 L16 | R8-E12 WeakPolarHBondContact CA-OE2 3.38Å; R8-E12 VanDerWaalsContact CB-OE2 3.32Å; R8-E12 WeakPolarHBondContact CB-OE2 3.37Å; R8-E12 WeakPolarHBondContact CD-OE1 3.4Å; R8-E12 VanDerWaalsContact CG-OE2 3.31Å; R8-E12 WeakPolarHBondContact CG-OE2 3.41Å; R8-E12 IonicContact CZ-OE1 3.83Å; R8-E12 IonicContact NE-OE1 2.66Å; R8-E12 PolarHBondContact NE-OE1 2.69Å; R8-E12 IonicContact NE-OE2 3.52Å; R8-E12 IonicContact NH2-OE1 3.28Å; G9-E12 PolarHBondContact N-OE2 2.87Å; G9-E12 WeakPolarHBondContact O-CB 3.32Å; G9-E12 PolarHBondContact O-N 2.79Å; G9-E12 VanDerWaalsContact O-N 3.11Å; E12-F14 VanDerWaalsContact C-N 3.29Å; E12-F14 PolarHBondContact O-N 2.56Å; E12-D15 PolarHBondContact O-N 3.14Å; E12-L16 HydrophobicContact CG-CD1 4.09Å; E12-L16 WeakPolarHBondContact O-CB 3.41Å; E12-L16 VanDerWaalsContact O-CG 3.26Å; E12-L16 WeakPolarHBondContact O-CG 3.42Å; E12-L16 PolarHBondContact O-N 3.41Å |
| 13 | K | 91.7 | Very high | 78 | Confident | 28 Ų | 28 | 66.6 Ų | 66.6 | 12% | 0.122 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -56.7 | -42.9 | 174.1 | -70.9 | 178.3 | 168.4 | -163.2 | 0 | 111.6 | R8 G9 L10 E11 F17 E32 L33 D35 | R8-K13 HydrophobicContact CB-CG 4.13Å; G9-K13 PolarHBondContact O-N 2.68Å; L10-K13 PolarHBondContact O-N 3.23Å; E11-K13 PolarHBondContact O-N 3.4Å; K13-F17 WeakPolarHBondContact O-CB 3.36Å; K13-F17 PolarHBondContact O-N 3.4Å; K13-E32 WeakPolarHBondContact CD-O 3.28Å; K13-E32 VanDerWaalsContact CE-O 3.29Å; K13-E32 WeakPolarHBondContact CE-O 3.5Å; K13-E32 PolarHBondContact NZ-O 3.46Å; K13-L33 HydrophobicContact CB-CD1 3.9Å; K13-D35 PolarHBondContact NZ-O 2.9Å |
| 14 | F | 93.6 | Very high | 80.9 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.2 | -39.6 | 178.2 | -179.2 | -88.5 | 0 | 0 | 0 | 112.4 | L10 E11 E12 F17 C18 L33 F56 Y59 A62 L65 F66 | L10-F14 PolarHBondContact O-N 2.95Å; E11-F14 WeakPolarHBondContact O-CB 3.19Å; E11-F14 PolarHBondContact O-N 2.91Å; E11-F14 VanDerWaalsContact O-N 3.15Å; E12-F14 VanDerWaalsContact C-N 3.29Å; E12-F14 PolarHBondContact O-N 2.56Å; F14-F17 PolarHBondContact O-N 3.13Å; F14-C18 WeakPolarHBondContact CE1-SG 3.25Å; F14-C18 VanDerWaalsContact CZ-SG 3.57Å; F14-C18 WeakPolarHBondContact O-CB 3.37Å; F14-C18 PolarHBondContact O-N 2.84Å; F14-C18 PolarHBondContact O-SG 3.19Å; F14-L33 HydrophobicContact CB-CD1 3.97Å; F14-L33 HydrophobicContact CD2-CD2 4.5Å; F14-F56 HydrophobicContact CB-CD1 4.35Å; F14-F56 HydrophobicContact CB-CE1 3.49Å; F14-F56 VanDerWaalsContact CB-CE1 3.49Å; F14-F56 HydrophobicContact CB-CE2 4.5Å; F14-F56 HydrophobicContact CB-CZ 3.59Å; F14-F56 HydrophobicContact CD2-CD1 4.2Å; F14-F56 HydrophobicContact CD2-CD2 4.28Å; F14-F56 HydrophobicContact CD2-CE1 4.01Å; F14-F56 HydrophobicContact CD2-CE2 4.1Å; F14-F56 HydrophobicContact CD2-CG 4.35Å; F14-F56 AromaticContact CD2-CZ 3.96Å; F14-F56 HydrophobicContact CD2-CZ 3.96Å; F14-F56 HydrophobicContact CG-CD1 4.33Å; F14-F56 AromaticContact CG-CE1 3.91Å; F14-F56 HydrophobicContact CG-CE1 3.91Å; F14-F56 HydrophobicContact CG-CZ 4.14Å; F14-Y59 HydrophobicContact CD1-CD1 4.18Å; F14-Y59 AromaticContact CD1-CE1 3.9Å; F14-Y59 HydrophobicContact CD1-CE1 3.9Å; F14-A62 HydrophobicContact CD1-CB 3.96Å; F14-A62 HydrophobicContact CD2-CB 4Å; F14-A62 HydrophobicContact CE1-CB 3.6Å; F14-A62 HydrophobicContact CE2-CB 3.67Å; F14-A62 HydrophobicContact CG-CB 4.15Å; F14-A62 HydrophobicContact CZ-CB 3.45Å; F14-A62 VanDerWaalsContact CZ-CB 3.45Å; F14-L65 HydrophobicContact CE2-CD2 4.28Å; F14-L65 HydrophobicContact CZ-CD2 3.82Å; F14-F66 HydrophobicContact CE2-CE2 4.02Å |
| 15 | D | 93.8 | Very high | 83.8 | Confident | 38 Ų | 38 | 61.1 Ų | 61.1 | 20% | 0.203 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -70.6 | -34.4 | 177.4 | -80.4 | -38.7 | 0 | 0 | 0 | 113.2 | E11 E12 C18 S19 Y59 R61 | E11-D15 PolarHBondContact O-N 2.88Å; E12-D15 PolarHBondContact O-N 3.14Å; D15-C18 PolarHBondContact O-N 3.28Å; D15-S19 VanDerWaalsContact O-CB 3.27Å; D15-S19 WeakPolarHBondContact O-CB 3.37Å; D15-S19 PolarHBondContact O-N 3.43Å; D15-S19 PolarHBondContact O-OG 3.39Å; D15-Y59 PolarHBondContact OD1-OH 2.99Å; D15-Y59 PolarHBondContact OD2-OH 3.02Å; D15-R61 VanDerWaalsContact OD1-CD 3.26Å; D15-R61 WeakPolarHBondContact OD1-CD 3.44Å; D15-R61 IonicContact OD1-CZ 2.68Å; D15-R61 IonicContact OD1-NE 2.82Å; D15-R61 PolarHBondContact OD1-NE 3.04Å; D15-R61 IonicContact OD1-NH1 3.05Å; D15-R61 PolarHBondContact OD1-NH1 2.85Å; D15-R61 IonicContact OD2-NH1 3.7Å |
| 16 | L | 94 | Very high | 86.8 | Confident | 47 Ų | 47 | 58.2 Ų | 58.2 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.9 | -46.8 | 169.9 | -70.7 | 165.4 | 0 | 0 | 0 | 110.9 | R8 E12 C18 S19 A20 | R8-L16 VanDerWaalsContact CZ-CD1 3.44Å; E12-L16 HydrophobicContact CG-CD1 4.09Å; E12-L16 WeakPolarHBondContact O-CB 3.41Å; E12-L16 VanDerWaalsContact O-CG 3.26Å; E12-L16 WeakPolarHBondContact O-CG 3.42Å; E12-L16 PolarHBondContact O-N 3.41Å; L16-C18 PolarHBondContact O-N 2.83Å; L16-S19 PolarHBondContact O-N 3.17Å; L16-S19 PolarHBondContact O-OG 2.78Å; L16-A20 WeakPolarHBondContact O-CB 3.49Å; L16-A20 PolarHBondContact O-N 2.84Å |
| 17 | F | 95.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -59.5 | -42.7 | 172.6 | 168.2 | -105.8 | 0 | 0 | 0 | 112.6 | K13 F14 I26 C29 F30 L33 F145 K168 L171 L172 | K13-F17 WeakPolarHBondContact O-CB 3.36Å; K13-F17 PolarHBondContact O-N 3.4Å; F14-F17 PolarHBondContact O-N 3.13Å; F17-I26 HydrophobicContact CD2-CG2 4.49Å; F17-I26 HydrophobicContact CE2-CG2 4.09Å; F17-C29 HydrophobicContact CB-CB 3.99Å; F17-F30 HydrophobicContact CD2-CB 3.81Å; F17-F30 HydrophobicContact CD2-CD2 4.2Å; F17-F30 HydrophobicContact CE2-CB 3.77Å; F17-F30 AromaticContact CE2-CD2 3.69Å; F17-F30 HydrophobicContact CE2-CD2 3.69Å; F17-F30 HydrophobicContact CE2-CG 4.13Å; F17-F30 AromaticContact CZ-CD2 3.97Å; F17-F30 HydrophobicContact CZ-CD2 3.97Å; F17-L33 HydrophobicContact CB-CD2 4.42Å; F17-L33 HydrophobicContact CD1-CD2 4.08Å; F17-L33 HydrophobicContact CG-CD2 4.21Å; F17-F145 HydrophobicContact CE1-CE1 4.23Å; F17-K168 HydrophobicContact CE1-CB 4.23Å; F17-K168 HydrophobicContact CE1-CG 4.42Å; F17-K168 HydrophobicContact CE2-CB 4.19Å; F17-K168 HydrophobicContact CE2-CG 3.9Å; F17-K168 HydrophobicContact CZ-CB 3.63Å; F17-K168 HydrophobicContact CZ-CG 3.81Å; F17-K168 WeakPolarHBondContact O-CE 3.33Å; F17-L171 HydrophobicContact CE2-CD1 4.37Å; F17-L172 HydrophobicContact CE1-CD1 4.15Å; F17-L172 HydrophobicContact CE1-CD2 4.11Å; F17-L172 HydrophobicContact CE1-CG 4.06Å; F17-L172 HydrophobicContact CZ-CD2 4.45Å; F17-L172 HydrophobicContact CZ-CG 4.12Å |
| 18 | C | 94.7 | Very high | 91.4 | Very high | 2 Ų | 2 | 46.5 Ų | 46.5 | 1% | 0.014 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.3 | -36 | 177.6 | -74.3 | 0 | 0 | 0 | 0 | 112.8 | F14 D15 L16 K168 | F14-C18 WeakPolarHBondContact CE1-SG 3.25Å; F14-C18 VanDerWaalsContact CZ-SG 3.57Å; F14-C18 WeakPolarHBondContact O-CB 3.37Å; F14-C18 PolarHBondContact O-N 2.84Å; F14-C18 PolarHBondContact O-SG 3.19Å; D15-C18 PolarHBondContact O-N 3.28Å; L16-C18 PolarHBondContact O-N 2.83Å; C18-K168 PolarHBondContact O-NZ 3.18Å |
| 19 | S | 93.8 | Very high | 92.8 | Very high | 73 Ų | 73 | 42.2 Ų | 42.2 | 51% | 0.51 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -87.7 | -17.5 | -178.8 | 58.5 | 0 | 0 | 0 | 0 | 114.7 | D15 L16 T21 | D15-S19 VanDerWaalsContact O-CB 3.27Å; D15-S19 WeakPolarHBondContact O-CB 3.37Å; D15-S19 PolarHBondContact O-N 3.43Å; D15-S19 PolarHBondContact O-OG 3.39Å; L16-S19 PolarHBondContact O-N 3.17Å; L16-S19 PolarHBondContact O-OG 2.78Å; S19-T21 WeakPolarHBondContact O-CG2 3.36Å; S19-T21 PolarHBondContact O-N 2.83Å |
| 20 | A | 95.3 | Very high | 93.5 | Very high | 11 Ų | 11 | 40.9 Ų | 40.9 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | trans | -54.9 | 131 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L16 I26 K168 | L16-A20 WeakPolarHBondContact O-CB 3.49Å; L16-A20 PolarHBondContact O-N 2.84Å; A20-I26 HydrophobicContact CB-CB 4.46Å; A20-I26 HydrophobicContact CB-CG1 3.67Å; A20-K168 VanDerWaalsContact O-CE 3.24Å; A20-K168 WeakPolarHBondContact O-CE 3.4Å; A20-K168 PolarHBondContact O-NZ 2.76Å | ||
| 21 | T | 93.4 | Very high | 93.7 | Very high | 95 Ų | 95 | 44.2 Ų | 44.2 | 58% | 0.583 | 24% | 0.239 | S | C | * | . | trans | -115.2 | -3 | -171.4 | 58.2 | 0 | 0 | 0 | 0 | 114.5 | S19 C164 | S19-T21 WeakPolarHBondContact O-CG2 3.36Å; S19-T21 PolarHBondContact O-N 2.83Å; T21-C164 PolarHBondContact O-SG 3.31Å; T21-C164 VanDerWaalsContact O-SG 3.39Å | ||
| 22 | T | 93.3 | Very high | 93.8 | Very high | 64 Ų | 64 | 43.5 Ų | 43.5 | 39% | 0.393 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -120.1 | 152.5 | 179.2 | 74.2 | 0 | 0 | 0 | 0 | 110.9 | E24 S25 I26 | T22-E24 VanDerWaalsContact C-N 3.29Å; T22-E24 PolarHBondContact O-N 3.04Å; T22-S25 PolarHBondContact N-OG 2.79Å; T22-S25 PolarHBondContact O-N 3.47Å; T22-S25 PolarHBondContact O-OG 3.5Å; T22-S25 WeakPolarHBondContact OG1-CB 3.03Å; T22-S25 PolarHBondContact OG1-N 3.33Å; T22-S25 PolarHBondContact OG1-OG 3.23Å; T22-I26 WeakPolarHBondContact O-CB 3.39Å; T22-I26 VanDerWaalsContact O-CG1 3.23Å; T22-I26 WeakPolarHBondContact O-CG1 3.48Å; T22-I26 PolarHBondContact O-N 3.3Å |
| 23 | F | 94.1 | Very high | 93.8 | Very high | 8 Ų | 8 | 39.4 Ų | 39.4 | 4% | 0.035 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -51.4 | -47.5 | 178.5 | -179 | -88.3 | 0 | 0 | 0 | 112.8 | L27 H119 F121 L167 V177 P179 | F23-L27 HydrophobicContact CD1-CD1 3.97Å; F23-L27 HydrophobicContact CE1-CD1 3.3Å; F23-L27 HydrophobicContact CE1-CG 4.32Å; F23-L27 HydrophobicContact CZ-CD1 3.68Å; F23-L27 PolarHBondContact O-N 2.94Å; F23-L27 VanDerWaalsContact O-N 3.15Å; F23-H119 WeakPolarHBondContact CD1-O 3.41Å; F23-F121 HydrophobicContact CB-CD2 4.29Å; F23-F121 HydrophobicContact CB-CG 4.39Å; F23-F121 HydrophobicContact CD2-CD1 4.04Å; F23-F121 HydrophobicContact CD2-CD2 4.18Å; F23-F121 AromaticContact CD2-CE1 3.62Å; F23-F121 HydrophobicContact CD2-CE1 3.62Å; F23-F121 AromaticContact CD2-CE2 3.77Å; F23-F121 HydrophobicContact CD2-CE2 3.77Å; F23-F121 HydrophobicContact CD2-CG 4.33Å; F23-F121 AromaticContact CD2-CZ 3.49Å; F23-F121 HydrophobicContact CD2-CZ 3.49Å; F23-F121 VanDerWaalsContact CD2-CZ 3.49Å; F23-F121 HydrophobicContact CE2-CE1 4.03Å; F23-F121 AromaticContact CE2-CZ 3.93Å; F23-F121 HydrophobicContact CE2-CZ 3.93Å; F23-L167 HydrophobicContact CD2-CD2 3.7Å; F23-L167 HydrophobicContact CE2-CD1 4.5Å; F23-L167 HydrophobicContact CE2-CD2 4Å; F23-L167 HydrophobicContact CG-CD2 4.4Å; F23-V177 HydrophobicContact CE2-CG1 4.27Å; F23-V177 HydrophobicContact CZ-CG1 4.05Å; F23-P179 HydrophobicContact CE1-CB 3.57Å; F23-P179 HydrophobicContact CE1-CG 3.82Å; F23-P179 HydrophobicContact CZ-CB 3.85Å; F23-P179 HydrophobicContact CZ-CG 4.28Å |
| 24 | E | 93 | Very high | 93.7 | Very high | 119 Ų | 119 | 39.1 Ų | 39.1 | 56% | 0.556 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -68.9 | -41.4 | -177.7 | -62.2 | 173.1 | 165 | 0 | 0 | 112.2 | T22 L27 A28 | T22-E24 VanDerWaalsContact C-N 3.29Å; T22-E24 PolarHBondContact O-N 3.04Å; E24-L27 PolarHBondContact O-N 3.13Å; E24-A28 WeakPolarHBondContact O-CB 3.28Å; E24-A28 PolarHBondContact O-N 3.49Å |
| 25 | S | 94.6 | Very high | 93.2 | Very high | 35 Ų | 35 | 42.8 Ų | 42.8 | 25% | 0.245 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -69 | -37.3 | 177.1 | 56.3 | 0 | 0 | 0 | 0 | 112.6 | T22 A28 C29 | T22-S25 PolarHBondContact N-OG 2.79Å; T22-S25 PolarHBondContact O-N 3.47Å; T22-S25 PolarHBondContact O-OG 3.5Å; T22-S25 WeakPolarHBondContact OG1-CB 3.03Å; T22-S25 PolarHBondContact OG1-N 3.33Å; T22-S25 PolarHBondContact OG1-OG 3.23Å; S25-A28 PolarHBondContact O-N 3.29Å; S25-C29 WeakPolarHBondContact O-CB 3.38Å; S25-C29 PolarHBondContact O-N 3.29Å; S25-C29 PolarHBondContact O-SG 2.93Å; S25-C29 VanDerWaalsContact O-SG 3.34Å |
| 26 | I | 97.2 | Very high | 92.2 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.4 | -44.7 | 175.5 | -67.7 | 166.1 | 0 | 0 | 0 | 110.6 | F17 A20 T22 F30 C164 L167 K168 L171 | F17-I26 HydrophobicContact CD2-CG2 4.49Å; F17-I26 HydrophobicContact CE2-CG2 4.09Å; A20-I26 HydrophobicContact CB-CB 4.46Å; A20-I26 HydrophobicContact CB-CG1 3.67Å; T22-I26 WeakPolarHBondContact O-CB 3.39Å; T22-I26 VanDerWaalsContact O-CG1 3.23Å; T22-I26 WeakPolarHBondContact O-CG1 3.48Å; T22-I26 PolarHBondContact O-N 3.3Å; I26-F30 WeakPolarHBondContact O-CB 3.31Å; I26-F30 PolarHBondContact O-N 3.37Å; I26-C164 HydrophobicContact CD1-CB 3.72Å; I26-L167 HydrophobicContact CB-CD2 4.07Å; I26-L167 HydrophobicContact CD1-CD2 4.33Å; I26-L167 HydrophobicContact CG2-CD2 3.76Å; I26-L167 HydrophobicContact CG2-CG 3.89Å; I26-K168 HydrophobicContact CD1-CG 4.44Å; I26-K168 HydrophobicContact CG1-CG 4.47Å; I26-K168 HydrophobicContact CG2-CG 3.75Å; I26-L171 HydrophobicContact CG2-CD1 3.85Å |
| 27 | L | 94.6 | Very high | 91.6 | Very high | 16 Ų | 16 | 44 Ų | 44 | 8% | 0.084 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 175.1 | -74.1 | 178.1 | 0 | 0 | 0 | 112.2 | F23 E24 F30 Y31 L171 | F23-L27 HydrophobicContact CD1-CD1 3.97Å; F23-L27 HydrophobicContact CE1-CD1 3.3Å; F23-L27 HydrophobicContact CE1-CG 4.32Å; F23-L27 HydrophobicContact CZ-CD1 3.68Å; F23-L27 PolarHBondContact O-N 2.94Å; F23-L27 VanDerWaalsContact O-N 3.15Å; E24-L27 PolarHBondContact O-N 3.13Å; L27-F30 PolarHBondContact O-N 2.98Å; L27-Y31 HydrophobicContact CB-CD2 4.45Å; L27-Y31 HydrophobicContact CB-CE2 4.08Å; L27-Y31 HydrophobicContact CD2-CE2 4.35Å; L27-Y31 WeakPolarHBondContact O-CD2 3.35Å; L27-Y31 PolarHBondContact O-N 3.45Å; L27-L171 HydrophobicContact CD2-CD1 3.97Å; L27-L171 HydrophobicContact CD2-CD2 3.87Å |
| 28 | A | 93.9 | Very high | 90.8 | Very high | 46 Ų | 46 | 45.8 Ų | 45.8 | 38% | 0.38 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -59.6 | -51.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | E24 S25 F30 Y31 E32 | E24-A28 WeakPolarHBondContact O-CB 3.28Å; E24-A28 PolarHBondContact O-N 3.49Å; S25-A28 PolarHBondContact O-N 3.29Å; A28-F30 VanDerWaalsContact C-N 3.3Å; A28-F30 PolarHBondContact O-N 3.07Å; A28-Y31 PolarHBondContact O-N 3.28Å; A28-E32 PolarHBondContact O-N 3.06Å |
| 29 | C | 95.1 | Very high | 88.9 | Confident | 21 Ų | 21 | 50 Ų | 50 | 14% | 0.142 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.2 | -32.5 | 177.3 | -65.1 | 0 | 0 | 0 | 0 | 112.4 | F17 S25 L33 | F17-C29 HydrophobicContact CB-CB 3.99Å; S25-C29 WeakPolarHBondContact O-CB 3.38Å; S25-C29 PolarHBondContact O-N 3.29Å; S25-C29 PolarHBondContact O-SG 2.93Å; S25-C29 VanDerWaalsContact O-SG 3.34Å; C29-L33 WeakPolarHBondContact O-CB 3.49Å; C29-L33 PolarHBondContact O-N 2.99Å |
| 30 | F | 94.6 | Very high | 87.1 | Confident | 11 Ų | 11 | 53.5 Ų | 53.5 | 5% | 0.048 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.2 | -39.5 | 174.2 | -176.7 | -102.5 | 0 | 0 | 0 | 112.9 | F17 I26 L27 A28 L33 C34 I48 L52 L171 L172 | F17-F30 HydrophobicContact CD2-CB 3.81Å; F17-F30 HydrophobicContact CD2-CD2 4.2Å; F17-F30 HydrophobicContact CE2-CB 3.77Å; F17-F30 AromaticContact CE2-CD2 3.69Å; F17-F30 HydrophobicContact CE2-CD2 3.69Å; F17-F30 HydrophobicContact CE2-CG 4.13Å; F17-F30 AromaticContact CZ-CD2 3.97Å; F17-F30 HydrophobicContact CZ-CD2 3.97Å; I26-F30 WeakPolarHBondContact O-CB 3.31Å; I26-F30 PolarHBondContact O-N 3.37Å; L27-F30 PolarHBondContact O-N 2.98Å; A28-F30 VanDerWaalsContact C-N 3.3Å; A28-F30 PolarHBondContact O-N 3.07Å; F30-L33 HydrophobicContact CD2-CD2 4.33Å; F30-L33 WeakPolarHBondContact O-CB 3.28Å; F30-L33 PolarHBondContact O-N 3.37Å; F30-C34 VanDerWaalsContact CZ-SG 3.54Å; F30-C34 PolarHBondContact O-N 3.02Å; F30-C34 PolarHBondContact O-SG 3.23Å; F30-I48 HydrophobicContact CZ-CG2 4.08Å; F30-L52 HydrophobicContact CE2-CD1 4.06Å; F30-L52 HydrophobicContact CZ-CD1 4.47Å; F30-L171 HydrophobicContact CB-CD1 4.06Å; F30-L171 HydrophobicContact CD1-CB 3.98Å; F30-L171 HydrophobicContact CD1-CD1 4.3Å; F30-L171 HydrophobicContact CD1-CD2 3.9Å; F30-L171 HydrophobicContact CD1-CG 4.27Å; F30-L171 HydrophobicContact CD2-CB 3.83Å; F30-L171 HydrophobicContact CE1-CB 3.96Å; F30-L171 HydrophobicContact CE1-CD2 4.1Å; F30-L171 HydrophobicContact CE2-CB 3.82Å; F30-L171 HydrophobicContact CG-CB 3.91Å; F30-L171 HydrophobicContact CG-CD1 4.04Å; F30-L171 HydrophobicContact CG-CD2 4.45Å; F30-L171 HydrophobicContact CG-CG 4.36Å; F30-L171 HydrophobicContact CZ-CB 3.89Å; F30-L171 WeakPolarHBondContact CZ-O 3.07Å; F30-L172 HydrophobicContact CE2-CD2 4.44Å |
| 31 | Y | 91.5 | Very high | 85 | Confident | 134 Ų | 134 | 58.5 Ų | 58.5 | 53% | 0.525 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 174 | -65.7 | -51 | 0 | 0 | 0 | 111.4 | L27 A28 L33 C34 D35 | L27-Y31 HydrophobicContact CB-CD2 4.45Å; L27-Y31 HydrophobicContact CB-CE2 4.08Å; L27-Y31 HydrophobicContact CD2-CE2 4.35Å; L27-Y31 WeakPolarHBondContact O-CD2 3.35Å; L27-Y31 PolarHBondContact O-N 3.45Å; A28-Y31 PolarHBondContact O-N 3.28Å; Y31-L33 VanDerWaalsContact C-N 3.3Å; Y31-L33 PolarHBondContact O-N 3.19Å; Y31-C34 PolarHBondContact O-N 3.41Å; Y31-D35 WeakPolarHBondContact O-CB 3.48Å; Y31-D35 PolarHBondContact O-N 3.25Å |
| 32 | E | 91.2 | Very high | 83.3 | Confident | 80 Ų | 80 | 55.4 Ų | 55.4 | 37% | 0.374 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -61.1 | -36.6 | 170.6 | -74.4 | 179.4 | -157.9 | 0 | 0 | 112.5 | K13 A28 D35 | K13-E32 WeakPolarHBondContact CD-O 3.28Å; K13-E32 VanDerWaalsContact CE-O 3.29Å; K13-E32 WeakPolarHBondContact CE-O 3.5Å; K13-E32 PolarHBondContact NZ-O 3.46Å; A28-E32 PolarHBondContact O-N 3.06Å; E32-D35 PolarHBondContact O-N 2.87Å |
| 33 | L | 90.9 | Very high | 81.5 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.1 | -43.7 | 175.9 | -173 | 69.4 | 0 | 0 | 0 | 111.8 | L10 K13 F14 F17 C29 F30 Y31 D35 I37 L52 F56 | L10-L33 HydrophobicContact CD1-CD1 4.48Å; K13-L33 HydrophobicContact CB-CD1 3.9Å; F14-L33 HydrophobicContact CB-CD1 3.97Å; F14-L33 HydrophobicContact CD2-CD2 4.5Å; F17-L33 HydrophobicContact CB-CD2 4.42Å; F17-L33 HydrophobicContact CD1-CD2 4.08Å; F17-L33 HydrophobicContact CG-CD2 4.21Å; C29-L33 WeakPolarHBondContact O-CB 3.49Å; C29-L33 PolarHBondContact O-N 2.99Å; F30-L33 HydrophobicContact CD2-CD2 4.33Å; F30-L33 WeakPolarHBondContact O-CB 3.28Å; F30-L33 PolarHBondContact O-N 3.37Å; Y31-L33 VanDerWaalsContact C-N 3.3Å; Y31-L33 PolarHBondContact O-N 3.19Å; L33-D35 VanDerWaalsContact C-N 3.34Å; L33-I37 WeakPolarHBondContact O-CD1 3.49Å; L33-L52 HydrophobicContact CD2-CD2 4.46Å; L33-L52 HydrophobicContact CG-CD2 4.26Å; L33-F56 HydrophobicContact CD1-CE2 3.7Å; L33-F56 HydrophobicContact CD1-CZ 3.49Å; L33-F56 VanDerWaalsContact CD1-CZ 3.49Å; L33-F56 HydrophobicContact CG-CE2 4.28Å |
| 34 | C | 88.8 | Confident | 80.2 | Confident | 21 Ų | 21 | 62 Ų | 62 | 14% | 0.142 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -72.3 | -27.5 | 178.4 | -63.5 | 0 | 0 | 0 | 0 | 113 | F30 Y31 G36 I37 V38 | F30-C34 VanDerWaalsContact CZ-SG 3.54Å; F30-C34 PolarHBondContact O-N 3.02Å; F30-C34 PolarHBondContact O-SG 3.23Å; Y31-C34 PolarHBondContact O-N 3.41Å; C34-G36 PolarHBondContact O-N 2.95Å; C34-G36 VanDerWaalsContact O-N 3.16Å; C34-I37 PolarHBondContact O-N 3.45Å; C34-V38 HydrophobicContact CB-CB 4.13Å; C34-V38 HydrophobicContact CB-CG2 3.85Å; C34-V38 PolarHBondContact O-N 3.37Å |
| 35 | D | 84.8 | Confident | 79.1 | Confident | 78 Ų | 78 | 56.5 Ų | 56.5 | 42% | 0.417 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 109.2 | -176 | -159.7 | 13.1 | 0 | 0 | 0 | 111.8 | K13 Y31 E32 L33 K769 | K13-D35 PolarHBondContact NZ-O 2.9Å; Y31-D35 WeakPolarHBondContact O-CB 3.48Å; Y31-D35 PolarHBondContact O-N 3.25Å; E32-D35 PolarHBondContact O-N 2.87Å; L33-D35 VanDerWaalsContact C-N 3.34Å; D35-K769 IonicContact OD1-NZ 3.9Å; D35-K769 IonicContact OD2-NZ 3.31Å; D35-K769 PolarHBondContact OD2-NZ 3.15Å |
| 36 | G | 71.5 | Confident | 78.4 | Confident | 83 Ų | 83 | 57.8 Ų | 57.8 | 86% | 0.856 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.5 | -4.2 | -174.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | C34 | C34-G36 PolarHBondContact O-N 2.95Å; C34-G36 VanDerWaalsContact O-N 3.16Å |
| 37 | I | 81.5 | Confident | 77.6 | Confident | 27 Ų | 27 | 59.7 Ų | 59.7 | 14% | 0.138 | 33% | 0.331 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.3 | -60.5 | 176 | -54.9 | 170.7 | 0 | 0 | 0 | 110.7 | L10 L33 C34 S39 L52 S55 F56 | L10-I37 HydrophobicContact CD1-CD1 3.39Å; L10-I37 HydrophobicContact CD1-CG1 4.27Å; L10-I37 HydrophobicContact CD2-CD1 4.4Å; L33-I37 WeakPolarHBondContact O-CD1 3.49Å; C34-I37 PolarHBondContact O-N 3.45Å; I37-S39 WeakPolarHBondContact O-CB 3.44Å; I37-S39 PolarHBondContact O-N 3.46Å; I37-S39 VanDerWaalsContact O-N 3.12Å; I37-S39 PolarHBondContact O-OG 3.31Å; I37-L52 HydrophobicContact CD1-CD2 3.9Å; I37-L52 HydrophobicContact CG2-CD2 4.42Å; I37-S55 WeakPolarHBondContact CG2-OG 3.47Å; I37-F56 HydrophobicContact CD1-CE2 4.33Å |
| 38 | V | 78.2 | Confident | 77.3 | Confident | 37 Ų | 37 | 60.2 Ų | 60.2 | 22% | 0.224 | 33% | 0.333 | C | S | . | . | trans | -79.2 | 104.6 | -165.4 | 178.1 | 0 | 0 | 0 | 0 | 108.5 | C34 I48 E51 L52 | C34-V38 HydrophobicContact CB-CB 4.13Å; C34-V38 HydrophobicContact CB-CG2 3.85Å; C34-V38 PolarHBondContact O-N 3.37Å; V38-I48 HydrophobicContact CG1-CG1 4.05Å; V38-I48 HydrophobicContact CG2-CG2 4.36Å; V38-E51 VanDerWaalsContact CA-OE2 3.3Å; V38-E51 WeakPolarHBondContact CA-OE2 3.45Å; V38-L52 HydrophobicContact CG2-CD2 4.36Å; V38-L52 HydrophobicContact CG2-CG 4.42Å | ||
| 39 | S | 55.9 | Low | 77.2 | Confident | 92 Ų | 92 | 58.4 Ų | 58.4 | 64% | 0.643 | 32% | 0.317 | S | S | * | . | trans | -109.2 | 23.1 | -152.6 | 41.8 | 0 | 0 | 0 | 0 | 115 | I37 E51 | I37-S39 WeakPolarHBondContact O-CB 3.44Å; I37-S39 PolarHBondContact O-N 3.46Å; I37-S39 VanDerWaalsContact O-N 3.12Å; I37-S39 PolarHBondContact O-OG 3.31Å; S39-E51 PolarHBondContact N-OE2 3.36Å; S39-E51 VanDerWaalsContact N-OE2 3.1Å | ||
| 40 | K | 55.5 | Low | 77 | Confident | 145 Ų | 145 | 62 Ų | 62 | 63% | 0.63 | 33% | 0.332 | S | S | * | . | S | Bend | trans | -166.6 | 159.2 | 153.2 | -98.6 | 133.8 | -169.2 | 174.3 | 0 | 111.1 | T42 | K40-T42 PolarHBondContact O-N 3.03Š|
| 41 | P | 52.7 | Low | 76.7 | Confident | 117 Ų | 117 | 63.5 Ų | 63.5 | 76% | 0.76 | 34% | 0.339 | S | S | * | . | trans | -70.5 | 90.9 | 163.9 | 30.2 | -33.4 | 0 | 0 | 0 | 110 | ||||
| 42 | T | 56.1 | Low | 76.7 | Confident | 29 Ų | 29 | 57.1 Ų | 57.1 | 18% | 0.178 | 31% | 0.314 | C | S | . | . | trans | -69.9 | 141.1 | -178.8 | 56.7 | 0 | 0 | 0 | 0 | 111.7 | K40 Q44 N47 | K40-T42 PolarHBondContact O-N 3.03Å; T42-Q44 VanDerWaalsContact C-N 3.28Å; T42-Q44 WeakPolarHBondContact CB-O 3.34Å; T42-Q44 PolarHBondContact OG1-O 3.43Å; T42-N47 HydrophobicContact CG2-CB 3.82Å | ||
| 43 | K | 56.5 | Low | 76.7 | Confident | 174 Ų | 174 | 54.1 Ų | 54.1 | 76% | 0.757 | 30% | 0.301 | S | S | * | . | S | Bend | trans | -65.9 | -35.5 | 169.3 | -73.5 | -176.6 | 179.2 | 176.6 | 0 | 111.4 | ||
| 44 | Q | 65.5 | Low | 76.7 | Confident | 38 Ų | 38 | 58.1 Ų | 58.1 | 18% | 0.178 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -87.5 | 110.8 | 175.1 | -66.7 | 175.2 | -95.5 | 0 | 0 | 109.3 | T42 W46 N47 R85 | T42-Q44 VanDerWaalsContact C-N 3.28Å; T42-Q44 WeakPolarHBondContact CB-O 3.34Å; T42-Q44 PolarHBondContact OG1-O 3.43Å; Q44-W46 VanDerWaalsContact C-N 3.28Å; Q44-W46 PolarHBondContact O-N 3.29Å; Q44-N47 WeakPolarHBondContact CB-OD1 3.28Å; Q44-N47 PolarHBondContact O-N 3.44Å; Q44-R85 HydrophobicContact CG-CG 4.37Å |
| 45 | S | 70.7 | Confident | 76.7 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.021 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -40.3 | 179.4 | -82.4 | 0 | 0 | 0 | 0 | 112.9 | N47 I48 G174 | S45-N47 PolarHBondContact O-N 2.95Å; S45-N47 VanDerWaalsContact O-N 3.12Å; S45-I48 WeakPolarHBondContact O-CB 3.09Å; S45-I48 WeakPolarHBondContact O-CG1 3.31Å; S45-I48 PolarHBondContact O-N 3.42Å; S45-I48 VanDerWaalsContact O-N 3.15Å; S45-G174 WeakPolarHBondContact CB-O 3.16Å; S45-G174 PolarHBondContact OG-O 3.48Å |
| 46 | W | 78.9 | Confident | 76.9 | Confident | 61 Ų | 61 | 55.6 Ų | 55.6 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -18.1 | -172.9 | 81.4 | -94 | 0 | 0 | 0 | 114.2 | Q44 I48 F49 H50 Q81 | Q44-W46 VanDerWaalsContact C-N 3.28Å; Q44-W46 PolarHBondContact O-N 3.29Å; W46-I48 PolarHBondContact O-N 2.82Å; W46-I48 VanDerWaalsContact O-N 3.16Å; W46-F49 VanDerWaalsContact O-CB 3.25Å; W46-F49 WeakPolarHBondContact O-CB 3.45Å; W46-F49 PolarHBondContact O-N 3.4Å; W46-H50 HydrophobicContact CE3-CB 4.37Å; W46-H50 HydrophobicContact CZ3-CB 3.97Å; W46-H50 PolarHBondContact O-N 3.12Å; W46-Q81 HydrophobicContact CB-CG 4.29Å; W46-Q81 HydrophobicContact CD2-CB 3.99Å; W46-Q81 HydrophobicContact CD2-CG 3.92Å; W46-Q81 HydrophobicContact CE3-CG 4.39Å; W46-Q81 HydrophobicContact CG-CB 3.91Å; W46-Q81 HydrophobicContact CG-CG 3.86Å; W46-Q81 HydrophobicContact CZ2-CB 4.48Å |
| 47 | N | 81.8 | Confident | 77.5 | Confident | 41 Ų | 41 | 59.9 Ų | 59.9 | 22% | 0.219 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -57.4 | -30.3 | 174.4 | -68.9 | 30.4 | 0 | 0 | 0 | 112.1 | T42 Q44 S45 F49 H50 E51 | T42-N47 HydrophobicContact CG2-CB 3.82Å; Q44-N47 WeakPolarHBondContact CB-OD1 3.28Å; Q44-N47 PolarHBondContact O-N 3.44Å; S45-N47 PolarHBondContact O-N 2.95Å; S45-N47 VanDerWaalsContact O-N 3.12Å; N47-F49 VanDerWaalsContact C-N 3.29Å; N47-F49 PolarHBondContact O-N 2.85Å; N47-H50 WeakPolarHBondContact O-CB 3.36Å; N47-H50 PolarHBondContact O-N 3.47Å; N47-H50 VanDerWaalsContact O-N 3.09Å; N47-E51 PolarHBondContact O-N 2.93Å |
| 48 | I | 88.2 | Confident | 77.7 | Confident | 26 Ų | 26 | 63.6 Ų | 63.6 | 13% | 0.133 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 175.1 | -61.8 | 175.7 | 0 | 0 | 0 | 110.7 | F30 V38 S45 W46 L52 | F30-I48 HydrophobicContact CZ-CG2 4.08Å; V38-I48 HydrophobicContact CG1-CG1 4.05Å; V38-I48 HydrophobicContact CG2-CG2 4.36Å; S45-I48 WeakPolarHBondContact O-CB 3.09Å; S45-I48 WeakPolarHBondContact O-CG1 3.31Å; S45-I48 PolarHBondContact O-N 3.42Å; S45-I48 VanDerWaalsContact O-N 3.15Å; W46-I48 PolarHBondContact O-N 2.82Å; W46-I48 VanDerWaalsContact O-N 3.16Å; I48-L52 HydrophobicContact CG2-CD1 3.91Å; I48-L52 HydrophobicContact CG2-CG 4.48Å; I48-L52 WeakPolarHBondContact O-CB 3.36Å; I48-L52 WeakPolarHBondContact O-CG 3.41Å; I48-L52 PolarHBondContact O-N 3.35Å; I48-L52 VanDerWaalsContact O-N 3.08Å |
| 49 | F | 92.3 | Very high | 78.4 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 173.1 | 179.2 | -94.2 | 0 | 0 | 0 | 111.1 | W46 N47 S53 F66 L69 E70 V73 L172 F173 | W46-F49 VanDerWaalsContact O-CB 3.25Å; W46-F49 WeakPolarHBondContact O-CB 3.45Å; W46-F49 PolarHBondContact O-N 3.4Å; N47-F49 VanDerWaalsContact C-N 3.29Å; N47-F49 PolarHBondContact O-N 2.85Å; F49-S53 WeakPolarHBondContact O-CB 3.19Å; F49-S53 PolarHBondContact O-N 3.45Å; F49-S53 PolarHBondContact O-OG 2.66Å; F49-F66 HydrophobicContact CD2-CD1 4.19Å; F49-F66 HydrophobicContact CD2-CE1 4.03Å; F49-F66 AromaticContact CE2-CD1 3.55Å; F49-F66 HydrophobicContact CE2-CD1 3.55Å; F49-F66 AromaticContact CE2-CE1 3.84Å; F49-F66 HydrophobicContact CE2-CE1 3.84Å; F49-F66 AromaticContact CZ-CD1 3.79Å; F49-F66 HydrophobicContact CZ-CD1 3.79Å; F49-F66 HydrophobicContact CZ-CE1 4.44Å; F49-L69 HydrophobicContact CE2-CB 3.52Å; F49-L69 HydrophobicContact CE2-CD1 3.88Å; F49-L69 HydrophobicContact CE2-CG 4.36Å; F49-L69 HydrophobicContact CZ-CB 3.71Å; F49-E70 HydrophobicContact CE1-CG 4.1Å; F49-E70 HydrophobicContact CZ-CG 4.14Å; F49-V73 HydrophobicContact CD1-CG2 4.22Å; F49-V73 HydrophobicContact CE1-CG2 3.86Å; F49-V73 HydrophobicContact CZ-CG2 4.14Å; F49-L172 VanDerWaalsContact CA-O 3.24Å; F49-L172 WeakPolarHBondContact CA-O 3.3Å; F49-L172 VanDerWaalsContact CB-O 3.27Å; F49-L172 WeakPolarHBondContact CB-O 3.3Å; F49-L172 PolarHBondContact N-O 2.97Å; F49-F173 HydrophobicContact CB-CD1 4.13Å; F49-F173 AromaticContact CD2-CD1 3.64Å; F49-F173 HydrophobicContact CD2-CD1 3.64Å; F49-F173 AromaticContact CD2-CE1 3.5Å; F49-F173 HydrophobicContact CD2-CE1 3.5Å; F49-F173 HydrophobicContact CD2-CZ 4.49Å; F49-F173 HydrophobicContact CE2-CD1 4.28Å; F49-F173 AromaticContact CE2-CE1 3.66Å; F49-F173 HydrophobicContact CE2-CE1 3.66Å; F49-F173 HydrophobicContact CE2-CZ 4.37Å; F49-F173 AromaticContact CG-CD1 3.94Å; F49-F173 HydrophobicContact CG-CD1 3.94Å; F49-F173 HydrophobicContact CG-CE1 4.01Å; F49-F173 HydrophobicContact CZ-CE1 4.29Å |
| 50 | H | 89.2 | Confident | 79.9 | Confident | 98 Ų | 98 | 67.4 Ų | 67.4 | 45% | 0.454 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.3 | -53.8 | -179.2 | -178.5 | -91.7 | 0 | 0 | 0 | 111.7 | W46 N47 L52 S53 V54 | W46-H50 HydrophobicContact CE3-CB 4.37Å; W46-H50 HydrophobicContact CZ3-CB 3.97Å; W46-H50 PolarHBondContact O-N 3.12Å; N47-H50 WeakPolarHBondContact O-CB 3.36Å; N47-H50 PolarHBondContact O-N 3.47Å; N47-H50 VanDerWaalsContact O-N 3.09Å; H50-L52 PolarHBondContact O-N 3.2Å; H50-S53 WeakPolarHBondContact CA-OG 3.32Å; H50-S53 PolarHBondContact O-N 2.93Å; H50-S53 VanDerWaalsContact O-N 3.14Å; H50-S53 PolarHBondContact O-OG 2.66Å; H50-V54 WeakPolarHBondContact O-CG2 3.37Å; H50-V54 PolarHBondContact O-N 3.35Å |
| 51 | E | 89.8 | Confident | 81.4 | Confident | 42 Ų | 42 | 64.5 Ų | 64.5 | 20% | 0.196 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -57.3 | -46.2 | 179.7 | -72.4 | 170 | -138.7 | 0 | 0 | 111.3 | V38 S39 N47 V54 S55 | V38-E51 VanDerWaalsContact CA-OE2 3.3Å; V38-E51 WeakPolarHBondContact CA-OE2 3.45Å; S39-E51 PolarHBondContact N-OE2 3.36Å; S39-E51 VanDerWaalsContact N-OE2 3.1Å; N47-E51 PolarHBondContact O-N 2.93Å; E51-V54 PolarHBondContact O-N 2.85Å; E51-S55 PolarHBondContact O-N 3.14Å; E51-S55 VanDerWaalsContact O-N 3.12Å; E51-S55 PolarHBondContact O-OG 3.26Å |
| 52 | L | 91.4 | Very high | 83.3 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.5 | -45.2 | 174.1 | -67 | 173 | 0 | 0 | 0 | 112.4 | F30 L33 I37 V38 I48 H50 V54 S55 F56 F66 L172 | F30-L52 HydrophobicContact CE2-CD1 4.06Å; F30-L52 HydrophobicContact CZ-CD1 4.47Å; L33-L52 HydrophobicContact CD2-CD2 4.46Å; L33-L52 HydrophobicContact CG-CD2 4.26Å; I37-L52 HydrophobicContact CD1-CD2 3.9Å; I37-L52 HydrophobicContact CG2-CD2 4.42Å; V38-L52 HydrophobicContact CG2-CD2 4.36Å; V38-L52 HydrophobicContact CG2-CG 4.42Å; I48-L52 HydrophobicContact CG2-CD1 3.91Å; I48-L52 HydrophobicContact CG2-CG 4.48Å; I48-L52 WeakPolarHBondContact O-CB 3.36Å; I48-L52 WeakPolarHBondContact O-CG 3.41Å; I48-L52 PolarHBondContact O-N 3.35Å; I48-L52 VanDerWaalsContact O-N 3.08Å; H50-L52 PolarHBondContact O-N 3.2Å; L52-V54 VanDerWaalsContact C-N 3.29Å; L52-V54 PolarHBondContact O-N 2.84Å; L52-S55 PolarHBondContact O-N 3.14Å; L52-F56 HydrophobicContact CB-CD2 4.5Å; L52-F56 HydrophobicContact CD2-CE2 4.25Å; L52-F56 WeakPolarHBondContact O-CB 3.42Å; L52-F56 VanDerWaalsContact O-CD2 3.3Å; L52-F56 WeakPolarHBondContact O-CD2 3.46Å; L52-F56 PolarHBondContact O-N 2.9Å; L52-F66 HydrophobicContact CB-CE1 4.23Å; L52-F66 HydrophobicContact CB-CZ 3.82Å; L52-L172 HydrophobicContact CD1-CD2 3.93Å |
| 53 | S | 91.5 | Very high | 85 | Confident | 16 Ų | 16 | 59 Ų | 59 | 11% | 0.112 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62 | -35 | -178.7 | 71.4 | 0 | 0 | 0 | 0 | 113 | F49 H50 K57 | F49-S53 WeakPolarHBondContact O-CB 3.19Å; F49-S53 PolarHBondContact O-N 3.45Å; F49-S53 PolarHBondContact O-OG 2.66Å; H50-S53 WeakPolarHBondContact CA-OG 3.32Å; H50-S53 PolarHBondContact O-N 2.93Å; H50-S53 VanDerWaalsContact O-N 3.14Å; H50-S53 PolarHBondContact O-OG 2.66Å; S53-K57 PolarHBondContact O-N 2.85Å |
| 54 | V | 90.1 | Very high | 86.7 | Confident | 84 Ų | 84 | 53.1 Ų | 53.1 | 51% | 0.509 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.2 | -48.9 | 174.8 | 172.2 | 0 | 0 | 0 | 0 | 110.4 | H50 E51 L52 F56 K57 | H50-V54 WeakPolarHBondContact O-CG2 3.37Å; H50-V54 PolarHBondContact O-N 3.35Å; E51-V54 PolarHBondContact O-N 2.85Å; L52-V54 VanDerWaalsContact C-N 3.29Å; L52-V54 PolarHBondContact O-N 2.84Å; V54-F56 VanDerWaalsContact C-N 3.26Å; V54-F56 PolarHBondContact O-N 3.48Å; V54-K57 WeakPolarHBondContact O-CB 3.3Å; V54-K57 PolarHBondContact O-N 3.09Å |
| 55 | S | 87.9 | Confident | 88.1 | Confident | 46 Ų | 46 | 51.3 Ų | 51.3 | 32% | 0.322 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.3 | -27.1 | 178.9 | -63.3 | 0 | 0 | 0 | 0 | 114 | I37 E51 L52 | I37-S55 WeakPolarHBondContact CG2-OG 3.47Å; E51-S55 PolarHBondContact O-N 3.14Å; E51-S55 VanDerWaalsContact O-N 3.12Å; E51-S55 PolarHBondContact O-OG 3.26Å; L52-S55 PolarHBondContact O-N 3.14Å |
| 56 | F | 89.1 | Confident | 89.3 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 0% | 0.004 | 26% | 0.262 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | 5.8 | -179.5 | -81.8 | -67.2 | 0 | 0 | 0 | 115.2 | L10 F14 L33 I37 L52 V54 S58 Y59 A62 F66 | L10-F56 HydrophobicContact CD1-CE1 4.04Å; L10-F56 HydrophobicContact CD1-CE2 3.89Å; L10-F56 HydrophobicContact CD1-CZ 3.3Å; L10-F56 HydrophobicContact CD2-CE1 4.37Å; L10-F56 HydrophobicContact CD2-CZ 4.25Å; L10-F56 HydrophobicContact CG-CE1 3.68Å; L10-F56 HydrophobicContact CG-CE2 4.3Å; L10-F56 HydrophobicContact CG-CZ 3.5Å; L10-F56 VanDerWaalsContact CG-CZ 3.5Å; L10-F56 WeakPolarHBondContact O-CE1 3.45Å; L10-F56 WeakPolarHBondContact O-CZ 3.42Å; F14-F56 HydrophobicContact CB-CD1 4.35Å; F14-F56 HydrophobicContact CB-CE1 3.49Å; F14-F56 VanDerWaalsContact CB-CE1 3.49Å; F14-F56 HydrophobicContact CB-CE2 4.5Å; F14-F56 HydrophobicContact CB-CZ 3.59Å; F14-F56 HydrophobicContact CD2-CD1 4.2Å; F14-F56 HydrophobicContact CD2-CD2 4.28Å; F14-F56 HydrophobicContact CD2-CE1 4.01Å; F14-F56 HydrophobicContact CD2-CE2 4.1Å; F14-F56 HydrophobicContact CD2-CG 4.35Å; F14-F56 AromaticContact CD2-CZ 3.96Å; F14-F56 HydrophobicContact CD2-CZ 3.96Å; F14-F56 HydrophobicContact CG-CD1 4.33Å; F14-F56 AromaticContact CG-CE1 3.91Å; F14-F56 HydrophobicContact CG-CE1 3.91Å; F14-F56 HydrophobicContact CG-CZ 4.14Å; L33-F56 HydrophobicContact CD1-CE2 3.7Å; L33-F56 HydrophobicContact CD1-CZ 3.49Å; L33-F56 VanDerWaalsContact CD1-CZ 3.49Å; L33-F56 HydrophobicContact CG-CE2 4.28Å; I37-F56 HydrophobicContact CD1-CE2 4.33Å; L52-F56 HydrophobicContact CB-CD2 4.5Å; L52-F56 HydrophobicContact CD2-CE2 4.25Å; L52-F56 WeakPolarHBondContact O-CB 3.42Å; L52-F56 VanDerWaalsContact O-CD2 3.3Å; L52-F56 WeakPolarHBondContact O-CD2 3.46Å; L52-F56 PolarHBondContact O-N 2.9Å; V54-F56 VanDerWaalsContact C-N 3.26Å; V54-F56 PolarHBondContact O-N 3.48Å; F56-S58 PolarHBondContact O-N 3.26Å; F56-Y59 HydrophobicContact CD1-CD1 4.27Å; F56-Y59 HydrophobicContact CE1-CD1 4.45Å; F56-Y59 PolarHBondContact O-N 2.95Å; F56-Y59 VanDerWaalsContact O-N 3.15Å; F56-A62 HydrophobicContact CB-CB 3.67Å; F56-A62 HydrophobicContact CD1-CB 3.59Å; F56-A62 HydrophobicContact CG-CB 3.8Å; F56-F66 HydrophobicContact CB-CD2 3.9Å; F56-F66 HydrophobicContact CB-CE2 3.63Å; F56-F66 AromaticContact CD2-CE2 3.99Å; F56-F66 HydrophobicContact CD2-CE2 3.99Å; F56-F66 HydrophobicContact CD2-CZ 4.44Å; F56-F66 HydrophobicContact CG-CE2 4.01Å |
| 57 | K | 85.1 | Confident | 90 | Very high | 172 Ų | 172 | 51.4 Ų | 51.4 | 75% | 0.748 | 27% | 0.272 | S | S | * | . | S | Bend | trans | -59.7 | -29.2 | -175.6 | -171.7 | 176 | 178.3 | -176.8 | 0 | 114.1 | S53 V54 | S53-K57 PolarHBondContact O-N 2.85Å; V54-K57 WeakPolarHBondContact O-CB 3.3Å; V54-K57 PolarHBondContact O-N 3.09Å |
| 58 | S | 85.5 | Confident | 90.5 | Very high | 105 Ų | 105 | 53.5 Ų | 53.5 | 73% | 0.734 | 28% | 0.279 | S | S | * | . | S | Bend | trans | -82.9 | -30.9 | 176.9 | 51.1 | 0 | 0 | 0 | 0 | 114 | F56 W60 | F56-S58 PolarHBondContact O-N 3.26Å; S58-W60 PolarHBondContact O-N 3.05Å |
| 59 | Y | 92 | Very high | 90.8 | Very high | 20 Ų | 20 | 52.3 Ų | 52.3 | 8% | 0.078 | 27% | 0.273 | C | S | . | . | trans | -80.5 | 105 | -173.8 | -177.4 | -141.8 | 0 | 0 | 0 | 110.7 | E11 F14 D15 F56 R61 A62 A63 | E11-Y59 HydrophobicContact CB-CD1 3.91Å; E11-Y59 HydrophobicContact CB-CD2 4.15Å; E11-Y59 HydrophobicContact CB-CE1 3.94Å; E11-Y59 HydrophobicContact CB-CE2 4.24Å; E11-Y59 HydrophobicContact CB-CG 4.04Å; E11-Y59 HydrophobicContact CG-CD1 3.97Å; E11-Y59 HydrophobicContact CG-CD2 3.85Å; E11-Y59 HydrophobicContact CG-CE1 4.47Å; E11-Y59 HydrophobicContact CG-CE2 4.42Å; E11-Y59 HydrophobicContact CG-CG 3.66Å; E11-Y59 WeakPolarHBondContact OE1-CB 3.48Å; E11-Y59 WeakPolarHBondContact OE1-CD2 3.49Å; F14-Y59 HydrophobicContact CD1-CD1 4.18Å; F14-Y59 AromaticContact CD1-CE1 3.9Å; F14-Y59 HydrophobicContact CD1-CE1 3.9Å; D15-Y59 PolarHBondContact OD1-OH 2.99Å; D15-Y59 PolarHBondContact OD2-OH 3.02Å; F56-Y59 HydrophobicContact CD1-CD1 4.27Å; F56-Y59 HydrophobicContact CE1-CD1 4.45Å; F56-Y59 PolarHBondContact O-N 2.95Å; F56-Y59 VanDerWaalsContact O-N 3.15Å; Y59-R61 HydrophobicContact CD1-CB 4.46Å; Y59-R61 HydrophobicContact CE1-CB 3.88Å; Y59-R61 HydrophobicContact CE2-CB 4.18Å; Y59-R61 PolarHBondContact O-N 2.77Å; Y59-A62 HydrophobicContact CD1-CB 3.78Å; Y59-A62 HydrophobicContact CG-CB 4.39Å; Y59-A62 PolarHBondContact O-N 3.33Å; Y59-A63 WeakPolarHBondContact O-CB 3.26Å; Y59-A63 PolarHBondContact O-N 2.73Å | ||
| 60 | W | 88.6 | Confident | 90.9 | Very high | 190 Ų | 190 | 54.9 Ų | 54.9 | 72% | 0.72 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -46.7 | -41.2 | -170.5 | 69.4 | -89.6 | 0 | 0 | 0 | 114.5 | S58 A64 | S58-W60 PolarHBondContact O-N 3.05Å; W60-A64 WeakPolarHBondContact O-CB 3.45Å; W60-A64 PolarHBondContact O-N 2.96Å |
| 61 | R | 87.6 | Confident | 91.1 | Very high | 83 Ų | 83 | 57.5 Ų | 57.5 | 31% | 0.313 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -71.1 | -38.8 | -177.4 | -169.9 | -178.5 | 178.4 | -178.5 | -6.4 | 112.1 | D15 Y59 | D15-R61 VanDerWaalsContact OD1-CD 3.26Å; D15-R61 WeakPolarHBondContact OD1-CD 3.44Å; D15-R61 IonicContact OD1-CZ 2.68Å; D15-R61 IonicContact OD1-NE 2.82Å; D15-R61 PolarHBondContact OD1-NE 3.04Å; D15-R61 IonicContact OD1-NH1 3.05Å; D15-R61 PolarHBondContact OD1-NH1 2.85Å; D15-R61 IonicContact OD2-NH1 3.7Å; Y59-R61 HydrophobicContact CD1-CB 4.46Å; Y59-R61 HydrophobicContact CE1-CB 3.88Å; Y59-R61 HydrophobicContact CE2-CB 4.18Å; Y59-R61 PolarHBondContact O-N 2.77Å |
| 62 | A | 92.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -75.1 | -44 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | F14 F56 Y59 A64 L65 F66 | F14-A62 HydrophobicContact CD1-CB 3.96Å; F14-A62 HydrophobicContact CD2-CB 4Å; F14-A62 HydrophobicContact CE1-CB 3.6Å; F14-A62 HydrophobicContact CE2-CB 3.67Å; F14-A62 HydrophobicContact CG-CB 4.15Å; F14-A62 HydrophobicContact CZ-CB 3.45Å; F14-A62 VanDerWaalsContact CZ-CB 3.45Å; F56-A62 HydrophobicContact CB-CB 3.67Å; F56-A62 HydrophobicContact CD1-CB 3.59Å; F56-A62 HydrophobicContact CG-CB 3.8Å; Y59-A62 HydrophobicContact CD1-CB 3.78Å; Y59-A62 HydrophobicContact CG-CB 4.39Å; Y59-A62 PolarHBondContact O-N 3.33Å; A62-A64 VanDerWaalsContact C-N 3.26Å; A62-A64 PolarHBondContact O-N 2.89Å; A62-L65 CarbonylContact O-C 3.58Å; A62-L65 WeakPolarHBondContact O-CA 3.29Å; A62-L65 WeakPolarHBondContact O-CB 3.38Å; A62-L65 PolarHBondContact O-N 3.02Å; A62-F66 HydrophobicContact CB-CD2 4.22Å; A62-F66 HydrophobicContact CB-CE2 4.26Å; A62-F66 VanDerWaalsContact O-CD2 3.25Å; A62-F66 WeakPolarHBondContact O-CD2 3.37Å; A62-F66 PolarHBondContact O-N 3.28Å |
| 63 | A | 92 | Very high | 91.2 | Very high | 31 Ų | 31 | 57.6 Ų | 57.6 | 26% | 0.256 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -55.2 | -40 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y59 L65 F66 S67 | Y59-A63 WeakPolarHBondContact O-CB 3.26Å; Y59-A63 PolarHBondContact O-N 2.73Å; A63-L65 VanDerWaalsContact C-N 3.27Å; A63-L65 PolarHBondContact O-N 3.4Å; A63-F66 PolarHBondContact O-N 3.25Å; A63-S67 WeakPolarHBondContact O-CB 3.29Å; A63-S67 PolarHBondContact O-N 3.3Å |
| 64 | A | 92.1 | Very high | 91.2 | Very high | 51 Ų | 51 | 63.5 Ų | 63.5 | 42% | 0.421 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.8 | -20.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | W60 A62 K68 | W60-A64 WeakPolarHBondContact O-CB 3.45Å; W60-A64 PolarHBondContact O-N 2.96Å; A62-A64 VanDerWaalsContact C-N 3.26Å; A62-A64 PolarHBondContact O-N 2.89Å; A64-K68 WeakPolarHBondContact O-CE 3Å |
| 65 | L | 94.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -84.4 | -53.9 | 169.5 | 175.6 | 68.1 | 0 | 0 | 0 | 110.9 | F14 A62 A63 S67 K68 L69 T144 F145 L172 | F14-L65 HydrophobicContact CE2-CD2 4.28Å; F14-L65 HydrophobicContact CZ-CD2 3.82Å; A62-L65 CarbonylContact O-C 3.58Å; A62-L65 WeakPolarHBondContact O-CA 3.29Å; A62-L65 WeakPolarHBondContact O-CB 3.38Å; A62-L65 PolarHBondContact O-N 3.02Å; A63-L65 VanDerWaalsContact C-N 3.27Å; A63-L65 PolarHBondContact O-N 3.4Å; L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 3.16Å; L65-K68 WeakPolarHBondContact O-CB 3.25Å; L65-K68 PolarHBondContact O-N 2.9Å; L65-L69 HydrophobicContact CD1-CD1 4.12Å; L65-L69 HydrophobicContact CD1-CG 4.29Å; L65-L69 HydrophobicContact CD2-CD1 4.45Å; L65-L69 HydrophobicContact CG-CD1 3.97Å; L65-L69 HydrophobicContact CG-CG 4.44Å; L65-L69 PolarHBondContact O-N 2.81Å; L65-L69 VanDerWaalsContact O-N 3.1Å; L65-T144 HydrophobicContact CB-CG2 4.37Å; L65-F145 HydrophobicContact CD1-CE2 4.01Å; L65-F145 HydrophobicContact CD1-CZ 3.94Å; L65-F145 HydrophobicContact CD2-CE1 3.9Å; L65-F145 HydrophobicContact CD2-CE2 4.46Å; L65-F145 HydrophobicContact CD2-CZ 3.58Å; L65-F145 HydrophobicContact CG-CZ 4.41Å; L65-L172 HydrophobicContact CD2-CD1 3.89Å |
| 66 | F | 94.7 | Very high | 91.3 | Very high | 4 Ų | 4 | 67 Ų | 67 | 2% | 0.018 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.2 | -40.1 | -178.5 | -77.2 | -70.7 | 0 | 0 | 0 | 111.6 | F14 F49 L52 F56 A62 A63 K68 L69 E70 L172 | F14-F66 HydrophobicContact CE2-CE2 4.02Å; F49-F66 HydrophobicContact CD2-CD1 4.19Å; F49-F66 HydrophobicContact CD2-CE1 4.03Å; F49-F66 AromaticContact CE2-CD1 3.55Å; F49-F66 HydrophobicContact CE2-CD1 3.55Å; F49-F66 AromaticContact CE2-CE1 3.84Å; F49-F66 HydrophobicContact CE2-CE1 3.84Å; F49-F66 AromaticContact CZ-CD1 3.79Å; F49-F66 HydrophobicContact CZ-CD1 3.79Å; F49-F66 HydrophobicContact CZ-CE1 4.44Å; L52-F66 HydrophobicContact CB-CE1 4.23Å; L52-F66 HydrophobicContact CB-CZ 3.82Å; F56-F66 HydrophobicContact CB-CD2 3.9Å; F56-F66 HydrophobicContact CB-CE2 3.63Å; F56-F66 AromaticContact CD2-CE2 3.99Å; F56-F66 HydrophobicContact CD2-CE2 3.99Å; F56-F66 HydrophobicContact CD2-CZ 4.44Å; F56-F66 HydrophobicContact CG-CE2 4.01Å; A62-F66 HydrophobicContact CB-CD2 4.22Å; A62-F66 HydrophobicContact CB-CE2 4.26Å; A62-F66 VanDerWaalsContact O-CD2 3.25Å; A62-F66 WeakPolarHBondContact O-CD2 3.37Å; A62-F66 PolarHBondContact O-N 3.28Å; A63-F66 PolarHBondContact O-N 3.25Å; F66-K68 PolarHBondContact O-N 3.41Å; F66-L69 PolarHBondContact O-N 3.49Å; F66-L69 VanDerWaalsContact O-N 3.15Å; F66-E70 VanDerWaalsContact O-CB 3.3Å; F66-E70 WeakPolarHBondContact O-CB 3.32Å; F66-E70 WeakPolarHBondContact O-CG 3.49Å; F66-E70 PolarHBondContact O-N 2.81Å; F66-L172 HydrophobicContact CE1-CD2 4.38Å; F66-L172 HydrophobicContact CZ-CD2 4.03Å |
| 67 | S | 93.2 | Very high | 91.2 | Very high | 62 Ų | 62 | 68.9 Ų | 68.9 | 43% | 0.434 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -58.1 | -30.4 | 173.8 | -175.9 | 0 | 0 | 0 | 0 | 114 | A63 L65 K71 | A63-S67 WeakPolarHBondContact O-CB 3.29Å; A63-S67 PolarHBondContact O-N 3.3Å; L65-S67 VanDerWaalsContact C-N 3.29Å; L65-S67 PolarHBondContact O-N 3.16Å; S67-K71 WeakPolarHBondContact O-CG 3.23Å |
| 68 | K | 93.2 | Very high | 91.4 | Very high | 85 Ų | 85 | 60.7 Ų | 60.7 | 37% | 0.37 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -77.5 | -47.3 | 173.8 | -64.6 | 174.1 | -173.9 | 174.8 | 0 | 111.3 | A64 L65 F66 E70 K71 | A64-K68 WeakPolarHBondContact O-CE 3Å; L65-K68 WeakPolarHBondContact O-CB 3.25Å; L65-K68 PolarHBondContact O-N 2.9Å; F66-K68 PolarHBondContact O-N 3.41Å; K68-E70 VanDerWaalsContact C-N 3.32Å; K68-E70 PolarHBondContact O-N 3Å; K68-K71 WeakPolarHBondContact O-CB 3.21Å; K68-K71 PolarHBondContact O-N 2.96Å; K68-K71 VanDerWaalsContact O-N 3.13Å |
| 69 | L | 94.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64 | -38.2 | -179.8 | -62.2 | 179.2 | 0 | 0 | 0 | 111.4 | F49 L65 F66 K71 R72 V73 L172 F173 | F49-L69 HydrophobicContact CE2-CB 3.52Å; F49-L69 HydrophobicContact CE2-CD1 3.88Å; F49-L69 HydrophobicContact CE2-CG 4.36Å; F49-L69 HydrophobicContact CZ-CB 3.71Å; L65-L69 HydrophobicContact CD1-CD1 4.12Å; L65-L69 HydrophobicContact CD1-CG 4.29Å; L65-L69 HydrophobicContact CD2-CD1 4.45Å; L65-L69 HydrophobicContact CG-CD1 3.97Å; L65-L69 HydrophobicContact CG-CG 4.44Å; L65-L69 PolarHBondContact O-N 2.81Å; L65-L69 VanDerWaalsContact O-N 3.1Å; F66-L69 PolarHBondContact O-N 3.49Å; F66-L69 VanDerWaalsContact O-N 3.15Å; L69-K71 VanDerWaalsContact C-N 3.28Å; L69-K71 PolarHBondContact O-N 2.74Å; L69-R72 WeakPolarHBondContact O-CA 3.05Å; L69-R72 WeakPolarHBondContact O-CB 3.41Å; L69-R72 PolarHBondContact O-N 3.29Å; L69-V73 WeakPolarHBondContact O-CG2 3.46Å; L69-V73 PolarHBondContact O-N 3.02Å; L69-L172 HydrophobicContact CD1-CD1 4.04Å; L69-F173 HydrophobicContact CB-CE1 4.43Å; L69-F173 HydrophobicContact CB-CZ 4.01Å; L69-F173 HydrophobicContact CD1-CZ 4.48Å; L69-F173 HydrophobicContact CD2-CE2 4.3Å; L69-F173 HydrophobicContact CD2-CZ 4.01Å; L69-F173 HydrophobicContact CG-CZ 4.38Å |
| 70 | E | 93.5 | Very high | 91 | Very high | 62 Ų | 62 | 67 Ų | 67 | 29% | 0.29 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -56.8 | -36.2 | 172.3 | -83.7 | -177.1 | -120.7 | 0 | 0 | 113.1 | F49 F66 K68 R72 V73 K74 | F49-E70 HydrophobicContact CE1-CG 4.1Å; F49-E70 HydrophobicContact CZ-CG 4.14Å; F66-E70 VanDerWaalsContact O-CB 3.3Å; F66-E70 WeakPolarHBondContact O-CB 3.32Å; F66-E70 WeakPolarHBondContact O-CG 3.49Å; F66-E70 PolarHBondContact O-N 2.81Å; K68-E70 VanDerWaalsContact C-N 3.32Å; K68-E70 PolarHBondContact O-N 3Å; E70-R72 VanDerWaalsContact C-N 3.26Å; E70-R72 PolarHBondContact O-N 3.21Å; E70-V73 PolarHBondContact O-N 3.32Å; E70-K74 WeakPolarHBondContact O-CB 3.43Å; E70-K74 WeakPolarHBondContact O-CG 3.38Å; E70-K74 PolarHBondContact O-N 2.95Å; E70-K74 WeakPolarHBondContact OE2-CE 3.29Å; E70-K74 IonicContact OE2-NZ 2.69Å; E70-K74 PolarHBondContact OE2-NZ 3.17Å |
| 71 | K | 93.1 | Very high | 91.1 | Very high | 153 Ų | 153 | 58.4 Ų | 58.4 | 67% | 0.665 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.3 | -34.2 | 175.7 | -69.8 | 175.7 | -176.7 | -171.6 | 0 | 111.7 | S67 K68 L69 M75 | S67-K71 WeakPolarHBondContact O-CG 3.23Å; K68-K71 WeakPolarHBondContact O-CB 3.21Å; K68-K71 PolarHBondContact O-N 2.96Å; K68-K71 VanDerWaalsContact O-N 3.13Å; L69-K71 VanDerWaalsContact C-N 3.28Å; L69-K71 PolarHBondContact O-N 2.74Å; K71-M75 WeakPolarHBondContact O-CG 3.37Å |
| 72 | R | 91.5 | Very high | 90.9 | Very high | 28 Ų | 28 | 58.1 Ų | 58.1 | 11% | 0.106 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -71.8 | -51.1 | 172.7 | -163.8 | 79.4 | -175.2 | 172.5 | -6.4 | 110.3 | L69 E70 K74 M75 Y78 E104 L107 Y550 | L69-R72 WeakPolarHBondContact O-CA 3.05Å; L69-R72 WeakPolarHBondContact O-CB 3.41Å; L69-R72 PolarHBondContact O-N 3.29Å; E70-R72 VanDerWaalsContact C-N 3.26Å; E70-R72 PolarHBondContact O-N 3.21Å; R72-K74 PolarHBondContact O-N 3.12Å; R72-M75 HydrophobicContact CG-SD 4.35Å; R72-M75 WeakPolarHBondContact O-CB 3.36Å; R72-M75 WeakPolarHBondContact O-CG 3.44Å; R72-M75 PolarHBondContact O-N 3.02Å; R72-Y78 HydrophobicContact CG-CE2 4.12Å; R72-Y78 PolarHBondContact NE-OH 3.07Å; R72-Y78 PolarHBondContact NH2-OH 3.14Å; R72-Y78 WeakPolarHBondContact O-CD2 3.5Å; R72-Y78 WeakPolarHBondContact O-CE2 3.34Å; R72-E104 IonicContact CZ-OE1 3.93Å; R72-E104 IonicContact NE-OE1 2.89Å; R72-E104 IonicContact NH2-OE1 3.93Å; R72-E104 PolarHBondContact NH2-OE1 2.77Å; R72-E104 IonicContact NH2-OE2 2.65Å; R72-L107 HydrophobicContact CG-CD1 3.73Å; R72-Y550 PolarHBondContact NH1-O 3.28Å |
| 73 | V | 92.2 | Very high | 90.3 | Very high | 17 Ų | 17 | 60 Ų | 60 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -51.7 | -41.8 | 178.7 | 174.2 | 0 | 0 | 0 | 0 | 112.3 | F49 L69 E70 M75 Q81 L107 F173 | F49-V73 HydrophobicContact CD1-CG2 4.22Å; F49-V73 HydrophobicContact CE1-CG2 3.86Å; F49-V73 HydrophobicContact CZ-CG2 4.14Å; L69-V73 WeakPolarHBondContact O-CG2 3.46Å; L69-V73 PolarHBondContact O-N 3.02Å; E70-V73 PolarHBondContact O-N 3.32Å; V73-M75 VanDerWaalsContact C-N 3.31Å; V73-M75 PolarHBondContact O-N 3.05Å; V73-Q81 PolarHBondContact O-NE2 3.35Å; V73-L107 HydrophobicContact CB-CD2 4.37Å; V73-L107 HydrophobicContact CG2-CD2 3.62Å; V73-F173 HydrophobicContact CG2-CE1 3.67Å; V73-F173 HydrophobicContact CG2-CZ 4.38Å |
| 74 | K | 91.9 | Very high | 90 | Very high | 139 Ų | 139 | 58.6 Ų | 58.6 | 60% | 0.604 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 2.8 | -177.8 | -65.2 | 169.8 | -169.5 | 176.2 | 0 | 114.7 | E70 R72 K76 | E70-K74 WeakPolarHBondContact O-CB 3.43Å; E70-K74 WeakPolarHBondContact O-CG 3.38Å; E70-K74 PolarHBondContact O-N 2.95Å; E70-K74 WeakPolarHBondContact OE2-CE 3.29Å; E70-K74 IonicContact OE2-NZ 2.69Å; E70-K74 PolarHBondContact OE2-NZ 3.17Å; R72-K74 PolarHBondContact O-N 3.12Å; K74-K76 PolarHBondContact O-N 3.41Å |
| 75 | M | 90.7 | Very high | 89.5 | Confident | 47 Ų | 47 | 59.5 Ų | 59.5 | 23% | 0.232 | 28% | 0.28 | C | S | . | . | trans | -68.8 | 129.8 | 176 | -65.8 | 175.4 | 67.1 | 0 | 0 | 111.2 | K71 R72 V73 Q77 Y78 K551 | K71-M75 WeakPolarHBondContact O-CG 3.37Å; R72-M75 HydrophobicContact CG-SD 4.35Å; R72-M75 WeakPolarHBondContact O-CB 3.36Å; R72-M75 WeakPolarHBondContact O-CG 3.44Å; R72-M75 PolarHBondContact O-N 3.02Å; V73-M75 VanDerWaalsContact C-N 3.31Å; V73-M75 PolarHBondContact O-N 3.05Å; M75-Q77 HydrophobicContact CB-CG 4.19Å; M75-Q77 PolarHBondContact O-N 2.65Å; M75-Y78 HydrophobicContact CB-CD2 3.82Å; M75-Y78 HydrophobicContact CB-CE2 3.86Å; M75-Y78 HydrophobicContact CG-CE2 4.41Å; M75-Y78 WeakPolarHBondContact O-CD2 3.48Å; M75-Y78 PolarHBondContact O-N 3.24Å; M75-Y78 HydrophobicContact SD-CE2 4.19Å; M75-K551 HydrophobicContact CE-CG 3.62Å | ||
| 76 | K | 89 | Confident | 88.6 | Confident | 158 Ų | 158 | 64.1 Ų | 64.1 | 69% | 0.687 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -49.5 | -35.5 | -175.3 | -64 | -169.2 | 176 | -167.4 | 0 | 114.5 | K74 Y78 H79 | K74-K76 PolarHBondContact O-N 3.41Å; K76-Y78 PolarHBondContact O-N 2.68Å; K76-Y78 VanDerWaalsContact O-N 3.07Å; K76-H79 PolarHBondContact O-N 3.23Å |
| 77 | Q | 87.7 | Confident | 88.1 | Confident | 40 Ų | 40 | 64.5 Ų | 64.5 | 19% | 0.187 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -54.4 | -27.4 | 179.1 | 70.8 | -177.1 | 7.2 | 0 | 0 | 114.4 | M75 H79 K551 L552 | M75-Q77 HydrophobicContact CB-CG 4.19Å; M75-Q77 PolarHBondContact O-N 2.65Å; Q77-H79 VanDerWaalsContact C-N 3.33Å; Q77-H79 PolarHBondContact O-CE1 3.04Å; Q77-H79 PolarHBondContact O-ND1 3.25Å; Q77-K551 VanDerWaalsContact OE1-CB 3.26Å; Q77-L552 HydrophobicContact CG-CD1 4.38Å |
| 78 | Y | 89.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -84.6 | -5.6 | -179.3 | -60.8 | -59.3 | 0 | 0 | 0 | 114 | R72 M75 K76 H80 Q81 E104 L107 L108 L552 | R72-Y78 HydrophobicContact CG-CE2 4.12Å; R72-Y78 PolarHBondContact NE-OH 3.07Å; R72-Y78 PolarHBondContact NH2-OH 3.14Å; R72-Y78 WeakPolarHBondContact O-CD2 3.5Å; R72-Y78 WeakPolarHBondContact O-CE2 3.34Å; M75-Y78 HydrophobicContact CB-CD2 3.82Å; M75-Y78 HydrophobicContact CB-CE2 3.86Å; M75-Y78 HydrophobicContact CG-CE2 4.41Å; M75-Y78 WeakPolarHBondContact O-CD2 3.48Å; M75-Y78 PolarHBondContact O-N 3.24Å; M75-Y78 HydrophobicContact SD-CE2 4.19Å; K76-Y78 PolarHBondContact O-N 2.68Å; K76-Y78 VanDerWaalsContact O-N 3.07Å; Y78-H80 VanDerWaalsContact C-N 3.28Å; Y78-H80 PolarHBondContact O-N 3.36Å; Y78-Q81 PolarHBondContact O-N 3.36Å; Y78-E104 VanDerWaalsContact CE1-OE2 3.32Å; Y78-E104 WeakPolarHBondContact CE1-OE2 3.46Å; Y78-E104 VanDerWaalsContact CZ-OE2 3.32Å; Y78-E104 PolarHBondContact OH-OE2 3.48Å; Y78-L107 WeakPolarHBondContact CB-O 3.42Å; Y78-L107 HydrophobicContact CD1-CB 3.66Å; Y78-L107 HydrophobicContact CD2-CB 4.47Å; Y78-L107 HydrophobicContact CE1-CB 3.46Å; Y78-L107 VanDerWaalsContact CE1-CB 3.46Å; Y78-L107 HydrophobicContact CE1-CD1 4.3Å; Y78-L107 HydrophobicContact CE1-CG 4.49Å; Y78-L107 HydrophobicContact CE2-CB 4.32Å; Y78-L107 HydrophobicContact CE2-CD1 4.37Å; Y78-L107 HydrophobicContact CG-CB 4.18Å; Y78-L108 HydrophobicContact CD1-CD2 4.04Å; Y78-L108 HydrophobicContact CD1-CG 3.99Å; Y78-L108 HydrophobicContact CE1-CG 4.39Å; Y78-L552 HydrophobicContact CD1-CD1 4.29Å; Y78-L552 HydrophobicContact CE1-CD1 3.82Å |
| 79 | H | 83.4 | Confident | 88.2 | Confident | 98 Ų | 98 | 59 Ų | 59 | 45% | 0.454 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | 47.7 | 48.3 | 177.5 | -59.5 | 77 | 0 | 0 | 0 | 112.6 | K76 Q77 Q81 T82 L83 | K76-H79 PolarHBondContact O-N 3.23Å; Q77-H79 VanDerWaalsContact C-N 3.33Å; Q77-H79 PolarHBondContact O-CE1 3.04Å; Q77-H79 PolarHBondContact O-ND1 3.25Å; H79-Q81 PolarHBondContact O-N 3.47Å; H79-T82 WeakPolarHBondContact O-CB 3.3Å; H79-T82 PolarHBondContact O-N 3.31Å; H79-T82 PolarHBondContact O-OG1 2.99Å; H79-L83 HydrophobicContact CB-CB 4.11Å |
| 80 | H | 86 | Confident | 88.3 | Confident | 158 Ų | 158 | 59.2 Ų | 59.2 | 73% | 0.731 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | 52.3 | 38.8 | -177.5 | -55.2 | -81.3 | 0 | 0 | 0 | 114 | Y78 T82 | Y78-H80 VanDerWaalsContact C-N 3.28Å; Y78-H80 PolarHBondContact O-N 3.36Å; H80-T82 PolarHBondContact O-N 2.69Å |
| 81 | Q | 89.2 | Confident | 88.5 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 5% | 0.051 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | 61.7 | 28.1 | 179.6 | -64.8 | 53.4 | 66.7 | 0 | 0 | 112.8 | W46 V73 Y78 H79 L107 G109 | W46-Q81 HydrophobicContact CB-CG 4.29Å; W46-Q81 HydrophobicContact CD2-CB 3.99Å; W46-Q81 HydrophobicContact CD2-CG 3.92Å; W46-Q81 HydrophobicContact CE3-CG 4.39Å; W46-Q81 HydrophobicContact CG-CB 3.91Å; W46-Q81 HydrophobicContact CG-CG 3.86Å; W46-Q81 HydrophobicContact CZ2-CB 4.48Å; V73-Q81 PolarHBondContact O-NE2 3.35Å; Y78-Q81 PolarHBondContact O-N 3.36Å; H79-Q81 PolarHBondContact O-N 3.47Å; Q81-L107 WeakPolarHBondContact CG-O 3.32Å; Q81-L107 PolarHBondContact NE2-O 3.49Å; Q81-G109 WeakPolarHBondContact O-CA 3.47Å |
| 82 | T | 84.2 | Confident | 88.7 | Confident | 76 Ų | 76 | 49.5 Ų | 49.5 | 47% | 0.466 | 24% | 0.236 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | -28.8 | 179.2 | 67 | 0 | 0 | 0 | 0 | 114.6 | H79 H80 C84 R85 | H79-T82 WeakPolarHBondContact O-CB 3.3Å; H79-T82 PolarHBondContact O-N 3.31Å; H79-T82 PolarHBondContact O-OG1 2.99Å; H80-T82 PolarHBondContact O-N 2.69Å; T82-C84 VanDerWaalsContact C-N 3.29Å; T82-C84 PolarHBondContact O-N 3.03Å; T82-C84 VanDerWaalsContact O-N 3.17Å; T82-R85 VanDerWaalsContact O-CB 3.25Å; T82-R85 WeakPolarHBondContact O-CB 3.1Å; T82-R85 PolarHBondContact O-N 2.72Å |
| 83 | L | 79.7 | Confident | 88.9 | Confident | 41 Ų | 41 | 48.5 Ų | 48.5 | 22% | 0.215 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -37.4 | -167.5 | -178.9 | 57.6 | 0 | 0 | 0 | 113.6 | H79 L108 A516 | H79-L83 HydrophobicContact CB-CB 4.11Å; L83-L108 HydrophobicContact CD2-CD2 4.12Å; L83-A516 WeakPolarHBondContact O-CB 3.29Å |
| 84 | C | 85.7 | Confident | 89 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.007 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | 21.6 | 177.6 | -61.7 | 0 | 0 | 0 | 0 | 113 | T82 D86 V87 L108 A110 | T82-C84 VanDerWaalsContact C-N 3.29Å; T82-C84 PolarHBondContact O-N 3.03Å; T82-C84 VanDerWaalsContact O-N 3.17Å; C84-D86 VanDerWaalsContact C-N 3.26Å; C84-D86 PolarHBondContact O-N 3.01Å; C84-D86 VanDerWaalsContact O-N 3.08Å; C84-V87 HydrophobicContact CB-CB 4.16Å; C84-V87 HydrophobicContact CB-CG2 4.02Å; C84-V87 WeakPolarHBondContact O-CB 3.15Å; C84-V87 PolarHBondContact O-N 3.21Å; C84-L108 HydrophobicContact CB-CB 4.03Å; C84-L108 PolarHBondContact N-O 3.33Å; C84-A110 HydrophobicContact CB-CB 3.81Å; C84-A110 VanDerWaalsContact O-CA 3.29Å; C84-A110 WeakPolarHBondContact O-CA 3.37Å |
| 85 | R | 80.8 | Confident | 89.2 | Confident | 69 Ų | 69 | 41.7 Ų | 41.7 | 26% | 0.26 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | -41.5 | -169.5 | -177.8 | 177.4 | -168.5 | 164.9 | 6 | 115.1 | Q44 T82 Y1633 | Q44-R85 HydrophobicContact CG-CG 4.37Å; T82-R85 VanDerWaalsContact O-CB 3.25Å; T82-R85 WeakPolarHBondContact O-CB 3.1Å; T82-R85 PolarHBondContact O-N 2.72Å; R85-Y1633 VanDerWaalsContact CZ-CZ 3.49Å; R85-Y1633 PolarHBondContact NH1-OH 3.44Å |
| 86 | D | 75.4 | Confident | 89.5 | Confident | 98 Ų | 98 | 40.1 Ų | 40.1 | 52% | 0.524 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | 5.1 | -175.3 | -59.8 | -59.5 | 0 | 0 | 0 | 113.3 | C84 N88 | C84-D86 VanDerWaalsContact C-N 3.26Å; C84-D86 PolarHBondContact O-N 3.01Å; C84-D86 VanDerWaalsContact O-N 3.08Å; D86-N88 PolarHBondContact O-ND2 3.3Å; D86-N88 VanDerWaalsContact O-ND2 3.16Å |
| 87 | V | 85.5 | Confident | 89.9 | Confident | 11 Ų | 11 | 33.3 Ų | 33.3 | 7% | 0.067 | 17% | 0.172 | C | C | . | . | trans | -83.3 | 125.7 | 178.6 | -176.8 | 0 | 0 | 0 | 0 | 110.4 | C84 V89 A110 R111 D305 V306 V512 A516 W603 | C84-V87 HydrophobicContact CB-CB 4.16Å; C84-V87 HydrophobicContact CB-CG2 4.02Å; C84-V87 WeakPolarHBondContact O-CB 3.15Å; C84-V87 PolarHBondContact O-N 3.21Å; V87-V89 HydrophobicContact CG1-CG2 4.24Å; V87-A110 HydrophobicContact CB-CB 4.37Å; V87-R111 PolarHBondContact O-N 2.86Å; V87-D305 HydrophobicContact CG1-CB 4.48Å; V87-V306 HydrophobicContact CG1-CG2 3.72Å; V87-V512 HydrophobicContact CG1-CG1 4.4Å; V87-A516 HydrophobicContact CG2-CB 4.22Å; V87-W603 HydrophobicContact CG1-CZ3 3.97Å; V87-W603 HydrophobicContact CG2-CE3 4.3Å; V87-W603 HydrophobicContact CG2-CZ3 3.94Å | ||
| 88 | N | 91.8 | Very high | 90.3 | Very high | 33 Ų | 33 | 31.4 Ų | 31.4 | 18% | 0.176 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 125.1 | 177.3 | -58.8 | -93.8 | 0 | 0 | 0 | 109.4 | D86 F302 H303 F304 D305 V306 | D86-N88 PolarHBondContact O-ND2 3.3Å; D86-N88 VanDerWaalsContact O-ND2 3.16Å; N88-F302 HydrophobicContact CB-CE2 4.09Å; N88-F302 HydrophobicContact CB-CZ 3.94Å; N88-H303 VanDerWaalsContact CB-O 3.22Å; N88-H303 WeakPolarHBondContact CB-O 3.35Å; N88-F304 HydrophobicContact CB-CB 4.46Å; N88-F304 CarbonylContact O-C 3.59Å; N88-F304 WeakPolarHBondContact O-CA 3.48Å; N88-F304 WeakPolarHBondContact O-CB 3.31Å; N88-D305 WeakPolarHBondContact CB-OD2 3.33Å; N88-D305 PolarHBondContact N-OD2 3.21Å; N88-D305 PolarHBondContact ND2-OD2 3.3Å; N88-D305 PolarHBondContact O-N 3.49Å; N88-V306 PolarHBondContact O-N 3.42Å |
| 89 | V | 95.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 130.1 | -174.7 | -174.7 | 0 | 0 | 0 | 0 | 110.2 | V87 V91 L105 A110 R111 V112 I113 V306 I308 | V87-V89 HydrophobicContact CG1-CG2 4.24Å; V89-V91 HydrophobicContact CG1-CG2 3.86Å; V89-L105 HydrophobicContact CG1-CD1 3.81Å; V89-L105 HydrophobicContact CG2-CD1 4.25Å; V89-A110 HydrophobicContact CG2-CB 3.91Å; V89-R111 PolarHBondContact N-O 3.2Å; V89-V112 HydrophobicContact CB-CB 4.49Å; V89-V112 HydrophobicContact CB-CG1 4.27Å; V89-V112 HydrophobicContact CB-CG2 4.26Å; V89-V112 HydrophobicContact CG1-CG1 4.3Å; V89-V112 HydrophobicContact CG2-CG2 4.35Å; V89-I113 PolarHBondContact O-N 3.38Å; V89-V306 HydrophobicContact CB-CB 4.48Å; V89-V306 HydrophobicContact CG1-CB 4.26Å; V89-V306 HydrophobicContact CG1-CG1 4.21Å; V89-V306 HydrophobicContact CG2-CB 4.16Å; V89-I308 HydrophobicContact CG1-CG1 4.07Å |
| 90 | L | 97.1 | Very high | 91.4 | Very high | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.021 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 126.1 | 162.9 | -176.6 | 61.3 | 0 | 0 | 0 | 110.1 | I113 I115 A290 F302 F304 V306 L307 I308 | L90-I113 HydrophobicContact CD1-CB 4.32Å; L90-I113 HydrophobicContact CD1-CG2 4.17Å; L90-I115 HydrophobicContact CD1-CD1 4.1Å; L90-I115 HydrophobicContact CD1-CG1 4.03Å; L90-I115 HydrophobicContact CD1-CG2 4.06Å; L90-I115 HydrophobicContact CD2-CD1 4.25Å; L90-I115 HydrophobicContact CG-CD1 4.41Å; L90-A290 HydrophobicContact CD2-CB 3.67Å; L90-F302 HydrophobicContact CB-CE1 4.36Å; L90-F304 HydrophobicContact CB-CB 4.16Å; L90-F304 HydrophobicContact CB-CD1 3.8Å; L90-F304 HydrophobicContact CB-CD2 4.25Å; L90-F304 HydrophobicContact CB-CE1 4.24Å; L90-F304 HydrophobicContact CB-CG 3.8Å; L90-F304 HydrophobicContact CD2-CD1 3.87Å; L90-F304 HydrophobicContact CD2-CE1 3.5Å; L90-F304 VanDerWaalsContact CD2-CE1 3.5Å; L90-F304 HydrophobicContact CD2-CZ 3.94Å; L90-F304 HydrophobicContact CG-CD1 4.46Å; L90-V306 PolarHBondContact N-O 3.41Å; L90-L307 HydrophobicContact CB-CD1 3.83Å; L90-L307 HydrophobicContact CD2-CD1 3.82Å; L90-L307 HydrophobicContact CG-CD1 3.89Å; L90-L307 WeakPolarHBondContact O-CA 3.39Å; L90-I308 PolarHBondContact O-N 3.04Å |
| 91 | V | 98 | Very high | 92 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 124.5 | 176.2 | -174.8 | 0 | 0 | 0 | 0 | 109.2 | V89 A102 V112 I113 I114 I115 I308 | V89-V91 HydrophobicContact CG1-CG2 3.86Å; V91-A102 HydrophobicContact CG2-CB 4.48Å; V91-V112 HydrophobicContact CG2-CG1 3.79Å; V91-I113 PolarHBondContact N-O 3.3Å; V91-I114 HydrophobicContact CB-CG1 4.11Å; V91-I114 WeakPolarHBondContact O-CA 3.17Å; V91-I115 PolarHBondContact O-N 3.1Å; V91-I308 CarbonylContact C-O 3.55Å; V91-I308 WeakPolarHBondContact CA-O 3.34Å; V91-I308 HydrophobicContact CB-CB 4.49Å; V91-I308 HydrophobicContact CG1-CB 4.29Å; V91-I308 HydrophobicContact CG1-CG2 4.37Å; V91-I308 HydrophobicContact CG2-CB 4.19Å; V91-I308 HydrophobicContact CG2-CG1 4.37Å |
| 92 | I | 97.4 | Very high | 92.4 | Very high | 11 Ų | 11 | 18.7 Ų | 18.7 | 6% | 0.056 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 108.8 | 178.7 | -44.2 | 174.2 | 0 | 0 | 0 | 108.8 | I115 Y183 L307 I308 A310 D311 C316 L317 | I92-I115 HydrophobicContact CG1-CD1 4.44Å; I92-I115 HydrophobicContact CG2-CG1 4.49Å; I92-Y183 HydrophobicContact CD1-CD1 3.88Å; I92-Y183 HydrophobicContact CD1-CD2 3.7Å; I92-Y183 HydrophobicContact CD1-CE1 4.21Å; I92-Y183 HydrophobicContact CD1-CE2 4.04Å; I92-Y183 HydrophobicContact CD1-CG 3.6Å; I92-Y183 HydrophobicContact CG1-CD2 4.37Å; I92-Y183 HydrophobicContact CG1-CG 4.4Å; I92-L307 HydrophobicContact CD1-CD1 3.96Å; I92-L307 HydrophobicContact CD1-CG 4.33Å; I92-L307 HydrophobicContact CG1-CD1 4.06Å; I92-I308 PolarHBondContact N-O 3.27Å; I92-A310 CarbonylContact O-C 3.28Å; I92-A310 VanDerWaalsContact O-C 3.29Å; I92-A310 WeakPolarHBondContact O-CA 3.17Å; I92-A310 PolarHBondContact O-N 3.21Å; I92-D311 HydrophobicContact CG2-CB 4.14Å; I92-D311 PolarHBondContact O-N 3.38Å; I92-C316 VanDerWaalsContact CD1-SG 3.54Å; I92-L317 HydrophobicContact CD1-CD2 4.07Å |
| 93 | G | 95.3 | Very high | 93 | Very high | 6 Ų | 6 | 15 Ų | 15 | 6% | 0.062 | 8% | 0.082 | C | C | . | . | trans | 107.1 | 117.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G95 I115 | G93-G95 PolarHBondContact O-N 3.42Å; G93-G95 VanDerWaalsContact O-N 3.14Å; G93-I115 PolarHBondContact N-O 3.27Å | ||
| 94 | C | 95.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | trans | -86.6 | 41.2 | 173.7 | -160.6 | 0 | 0 | 0 | 0 | 110.9 | M99 I114 D116 F121 Q163 | C94-M99 WeakPolarHBondContact O-CE 3.49Å; C94-M99 PolarHBondContact SG-SD 3.36Å; C94-I114 HydrophobicContact CB-CG2 3.89Å; C94-D116 HydrophobicContact CB-CB 3.76Å; C94-D116 WeakPolarHBondContact CB-OD2 3.5Å; C94-D116 PolarHBondContact N-OD2 3.35Å; C94-F121 HydrophobicContact CB-CE1 4.38Å; C94-Q163 PolarHBondContact O-NE2 3.25Å | ||
| 95 | G | 95.4 | Very high | 94.4 | Very high | 13 Ų | 13 | 13 Ų | 13 | 13% | 0.134 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -79 | 168.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | G93 C97 G98 M99 | G93-G95 PolarHBondContact O-N 3.42Å; G93-G95 VanDerWaalsContact O-N 3.14Å; G95-C97 VanDerWaalsContact C-N 3.34Å; G95-C97 PolarHBondContact O-N 3.12Å; G95-G98 PolarHBondContact O-N 2.91Å; G95-G98 VanDerWaalsContact O-N 3.16Å; G95-M99 PolarHBondContact O-N 3.28Å |
| 96 | P | 97.3 | Very high | 95 | Very high | 15 Ų | 15 | 9.8 Ų | 9.8 | 10% | 0.097 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -53.2 | -47.8 | -179.7 | -27.7 | 35.7 | 0 | 0 | 0 | 113.3 | G98 M99 R100 L162 Q163 L166 F502 | P96-G98 PolarHBondContact O-N 2.88Å; P96-M99 PolarHBondContact O-N 3.13Å; P96-R100 VanDerWaalsContact O-CB 3.28Å; P96-R100 WeakPolarHBondContact O-CB 3.25Å; P96-R100 PolarHBondContact O-N 2.86Å; P96-L162 HydrophobicContact CB-CD2 3.87Å; P96-L162 HydrophobicContact CB-CG 4.24Å; P96-L162 HydrophobicContact CG-CD2 4.04Å; P96-L162 HydrophobicContact CG-CG 4.37Å; P96-Q163 HydrophobicContact CG-CG 3.85Å; P96-L166 HydrophobicContact CB-CD1 3.83Å; P96-F502 HydrophobicContact CB-CE1 4.02Å |
| 97 | C | 96.9 | Very high | 96 | Very high | 14 Ų | 14 | 5.2 Ų | 5.2 | 10% | 0.095 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -64.6 | -40 | 179.7 | -45.4 | 0 | 0 | 0 | 0 | 112.4 | G95 R100 C101 I483 G501 | G95-C97 VanDerWaalsContact C-N 3.34Å; G95-C97 PolarHBondContact O-N 3.12Å; C97-R100 PolarHBondContact O-N 3.04Å; C97-C101 WeakPolarHBondContact O-CB 3.19Å; C97-C101 PolarHBondContact O-N 2.85Å; C97-I483 HydrophobicContact CB-CD1 4.41Å; C97-I483 WeakPolarHBondContact O-CD1 3.47Å; C97-G501 VanDerWaalsContact SG-CA 3.56Å |
| 98 | G | 97.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 4.7 Ų | 4.7 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -63.1 | -48.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | G95 P96 C101 A102 | G95-G98 PolarHBondContact O-N 2.91Å; G95-G98 VanDerWaalsContact O-N 3.16Å; P96-G98 PolarHBondContact O-N 2.88Å; G98-C101 PolarHBondContact O-N 2.79Å; G98-A102 WeakPolarHBondContact O-CB 3.45Å; G98-A102 PolarHBondContact O-N 3.02Å |
| 99 | M | 97.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -65.4 | -39.4 | 173.9 | -71.6 | -178.6 | -73.5 | 0 | 0 | 112.2 | C94 G95 P96 C101 A102 I103 I114 F121 Q163 L166 L167 | C94-M99 WeakPolarHBondContact O-CE 3.49Å; C94-M99 PolarHBondContact SG-SD 3.36Å; G95-M99 PolarHBondContact O-N 3.28Å; P96-M99 PolarHBondContact O-N 3.13Å; M99-C101 VanDerWaalsContact C-N 3.31Å; M99-C101 PolarHBondContact O-N 2.96Å; M99-A102 PolarHBondContact O-N 3.45Å; M99-I103 WeakPolarHBondContact O-CD1 3.4Å; M99-I103 VanDerWaalsContact O-CG1 3.3Å; M99-I103 WeakPolarHBondContact O-CG1 3.45Å; M99-I103 PolarHBondContact O-N 2.67Å; M99-I114 HydrophobicContact CG-CD1 3.89Å; M99-F121 HydrophobicContact CE-CZ 4.05Å; M99-F121 HydrophobicContact SD-CZ 4.25Å; M99-Q163 HydrophobicContact CE-CB 3.88Å; M99-Q163 HydrophobicContact CE-CG 3.96Å; M99-Q163 WeakPolarHBondContact CE-O 3.38Å; M99-L166 HydrophobicContact CB-CB 3.89Å; M99-L166 HydrophobicContact CE-CB 3.92Å; M99-L166 HydrophobicContact SD-CB 4Å; M99-L167 HydrophobicContact SD-CB 3.88Å; M99-L167 HydrophobicContact SD-CD1 4.49Å; M99-L167 PolarHBondContact SD-N 2.98Å; M99-L167 VanDerWaalsContact SD-N 3.44Å |
| 100 | R | 98 | Very high | 96 | Very high | 0 Ų | 0 | 3.2 Ų | 3.2 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -63.1 | -37.1 | 178 | -171.6 | 67.9 | -167.3 | 79.3 | -5.7 | 112.4 | P96 C97 E104 D136 F502 A505 | P96-R100 VanDerWaalsContact O-CB 3.28Å; P96-R100 WeakPolarHBondContact O-CB 3.25Å; P96-R100 PolarHBondContact O-N 2.86Å; C97-R100 PolarHBondContact O-N 3.04Å; R100-E104 IonicContact CZ-OE1 2.72Å; R100-E104 VanDerWaalsContact CZ-OE1 3.27Å; R100-E104 VanDerWaalsContact NH1-CG 3.34Å; R100-E104 IonicContact NH1-OE1 2.64Å; R100-E104 PolarHBondContact NH1-OE1 2.68Å; R100-E104 IonicContact NH2-OE1 2.58Å; R100-E104 PolarHBondContact NH2-OE1 2.94Å; R100-D136 IonicContact CZ-OD1 3.59Å; R100-D136 IonicContact CZ-OD2 2.6Å; R100-D136 IonicContact NE-OD1 3.57Å; R100-D136 IonicContact NE-OD2 3.99Å; R100-D136 PolarHBondContact NE-OD2 3.25Å; R100-D136 IonicContact NH2-OD1 2.72Å; R100-D136 PolarHBondContact NH2-OD1 2.91Å; R100-D136 IonicContact NH2-OD2 3.98Å; R100-D136 PolarHBondContact NH2-OD2 2.89Å; R100-F502 HydrophobicContact CB-CD1 4.27Å; R100-F502 HydrophobicContact CB-CD2 4.45Å; R100-F502 HydrophobicContact CB-CE1 4.17Å; R100-F502 HydrophobicContact CB-CE2 4.37Å; R100-F502 HydrophobicContact CB-CG 4.42Å; R100-F502 HydrophobicContact CB-CZ 4.24Å; R100-F502 HydrophobicContact CG-CD1 4.21Å; R100-F502 HydrophobicContact CG-CD2 3.62Å; R100-F502 HydrophobicContact CG-CE1 4.35Å; R100-F502 HydrophobicContact CG-CE2 3.8Å; R100-F502 HydrophobicContact CG-CG 3.86Å; R100-F502 HydrophobicContact CG-CZ 4.17Å; R100-A505 HydrophobicContact CB-CB 4.47Å |
| 101 | C | 98.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -67.7 | -45.9 | 172.1 | -167.1 | 0 | 0 | 0 | 0 | 111.5 | C97 G98 M99 I103 E104 L105 I483 A505 | C97-C101 WeakPolarHBondContact O-CB 3.19Å; C97-C101 PolarHBondContact O-N 2.85Å; G98-C101 PolarHBondContact O-N 2.79Å; M99-C101 VanDerWaalsContact C-N 3.31Å; M99-C101 PolarHBondContact O-N 2.96Å; C101-I103 VanDerWaalsContact C-N 3.27Å; C101-I103 PolarHBondContact O-N 2.99Å; C101-E104 PolarHBondContact O-N 2.66Å; C101-L105 WeakPolarHBondContact O-CG 3.21Å; C101-L105 PolarHBondContact O-N 2.78Å; C101-I483 HydrophobicContact CB-CD1 3.57Å; C101-A505 HydrophobicContact CB-CB 3.78Å |
| 102 | A | 97.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 4% | 0.036 | C | C | . | . | H | α-helix | trans | -59.6 | -36.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | V91 G98 M99 L105 A106 V112 I114 V175 | V91-A102 HydrophobicContact CG2-CB 4.48Å; G98-A102 WeakPolarHBondContact O-CB 3.45Å; G98-A102 PolarHBondContact O-N 3.02Å; M99-A102 PolarHBondContact O-N 3.45Å; A102-L105 PolarHBondContact O-N 3.25Å; A102-A106 WeakPolarHBondContact O-CB 3.12Å; A102-A106 PolarHBondContact O-N 2.92Å; A102-V112 HydrophobicContact CB-CG1 3.76Å; A102-I114 HydrophobicContact CB-CD1 3.78Å; A102-I114 HydrophobicContact CB-CG1 4.12Å; A102-V175 HydrophobicContact CB-CG1 4.03Å; A102-V175 HydrophobicContact CB-CG2 4.23Å |
| 103 | I | 97.2 | Very high | 95.5 | Very high | 0 Ų | 0 | 6 Ų | 6 | 0% | 0 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -62.4 | -47.1 | 175.1 | -71.5 | 160.1 | 0 | 0 | 0 | 111.5 | M99 C101 A106 L107 L140 L166 V169 A170 F173 | M99-I103 WeakPolarHBondContact O-CD1 3.4Å; M99-I103 VanDerWaalsContact O-CG1 3.3Å; M99-I103 WeakPolarHBondContact O-CG1 3.45Å; M99-I103 PolarHBondContact O-N 2.67Å; C101-I103 VanDerWaalsContact C-N 3.27Å; C101-I103 PolarHBondContact O-N 2.99Å; I103-A106 PolarHBondContact O-N 3.36Å; I103-L107 HydrophobicContact CG2-CD1 3.93Å; I103-L107 WeakPolarHBondContact O-CB 3.3Å; I103-L107 WeakPolarHBondContact O-CD1 3.47Å; I103-L107 VanDerWaalsContact O-CG 3.25Å; I103-L107 WeakPolarHBondContact O-CG 3.47Å; I103-L107 PolarHBondContact O-N 3.37Å; I103-L140 HydrophobicContact CG2-CD2 4.3Å; I103-L166 HydrophobicContact CD1-CD2 4.07Å; I103-V169 HydrophobicContact CD1-CB 3.94Å; I103-V169 HydrophobicContact CD1-CG1 3.64Å; I103-V169 HydrophobicContact CG1-CG1 4.07Å; I103-V169 HydrophobicContact CG2-CG1 4.31Å; I103-A170 HydrophobicContact CD1-CB 4.38Å; I103-A170 HydrophobicContact CG1-CB 4Å; I103-F173 HydrophobicContact CG2-CD2 3.94Å; I103-F173 HydrophobicContact CG2-CE2 3.96Å |
| 104 | E | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -64.9 | -40.3 | 176.4 | -66.5 | -60.1 | 144.3 | 0 | 0 | 112.4 | R72 Y78 R100 C101 L107 L108 L506 A509 L552 | R72-E104 IonicContact CZ-OE1 3.93Å; R72-E104 IonicContact NE-OE1 2.89Å; R72-E104 IonicContact NH2-OE1 3.93Å; R72-E104 PolarHBondContact NH2-OE1 2.77Å; R72-E104 IonicContact NH2-OE2 2.65Å; Y78-E104 VanDerWaalsContact CE1-OE2 3.32Å; Y78-E104 WeakPolarHBondContact CE1-OE2 3.46Å; Y78-E104 VanDerWaalsContact CZ-OE2 3.32Å; Y78-E104 PolarHBondContact OH-OE2 3.48Å; R100-E104 IonicContact CZ-OE1 2.72Å; R100-E104 VanDerWaalsContact CZ-OE1 3.27Å; R100-E104 VanDerWaalsContact NH1-CG 3.34Å; R100-E104 IonicContact NH1-OE1 2.64Å; R100-E104 PolarHBondContact NH1-OE1 2.68Å; R100-E104 IonicContact NH2-OE1 2.58Å; R100-E104 PolarHBondContact NH2-OE1 2.94Å; C101-E104 PolarHBondContact O-N 2.66Å; E104-L107 PolarHBondContact O-N 3.17Å; E104-L108 WeakPolarHBondContact O-CG 3.44Å; E104-L108 PolarHBondContact O-N 2.97Å; E104-L506 HydrophobicContact CG-CD2 3.67Å; E104-A509 HydrophobicContact CB-CB 3.56Å; E104-A509 HydrophobicContact CG-CB 4.27Å; E104-L552 HydrophobicContact CB-CD2 4.07Å; E104-L552 HydrophobicContact CG-CD2 3.92Å; E104-L552 WeakPolarHBondContact OE2-CD2 3.49Å |
| 105 | L | 96.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 5.8 Ų | 5.8 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -67.3 | -38 | -179.7 | -68.4 | 173.3 | 0 | 0 | 0 | 111.8 | V89 C101 A102 L108 G109 A110 V112 I308 A509 V512 | V89-L105 HydrophobicContact CG1-CD1 3.81Å; V89-L105 HydrophobicContact CG2-CD1 4.25Å; C101-L105 WeakPolarHBondContact O-CG 3.21Å; C101-L105 PolarHBondContact O-N 2.78Å; A102-L105 PolarHBondContact O-N 3.25Å; L105-L108 HydrophobicContact CD2-CD1 4.18Å; L105-L108 PolarHBondContact O-N 2.78Å; L105-G109 PolarHBondContact O-N 3.29Å; L105-A110 HydrophobicContact CB-CB 4.42Å; L105-A110 WeakPolarHBondContact O-CB 3.18Å; L105-A110 PolarHBondContact O-N 2.94Å; L105-V112 HydrophobicContact CB-CG2 3.68Å; L105-I308 HydrophobicContact CD1-CG1 4.21Å; L105-A509 HydrophobicContact CD2-CB 4.04Å; L105-A509 HydrophobicContact CG-CB 4.22Å; L105-V512 HydrophobicContact CD2-CB 3.78Å; L105-V512 HydrophobicContact CD2-CG1 3.79Å; L105-V512 HydrophobicContact CD2-CG2 3.94Å |
| 106 | A | 95.1 | Very high | 95.6 | Very high | 1 Ų | 1 | 6.2 Ų | 6.2 | 1% | 0.008 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -66.2 | -39.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A102 I103 L108 G109 V112 F173 V175 | A102-A106 WeakPolarHBondContact O-CB 3.12Å; A102-A106 PolarHBondContact O-N 2.92Å; I103-A106 PolarHBondContact O-N 3.36Å; A106-L108 VanDerWaalsContact C-N 3.31Å; A106-L108 PolarHBondContact O-N 3.25Å; A106-G109 WeakPolarHBondContact O-CA 3.45Å; A106-G109 PolarHBondContact O-N 3.02Å; A106-V112 HydrophobicContact CB-CG2 4.37Å; A106-F173 HydrophobicContact CB-CB 4.11Å; A106-V175 HydrophobicContact CB-CG2 3.88Å |
| 107 | L | 94.9 | Very high | 95.4 | Very high | 2 Ų | 2 | 10.2 Ų | 10.2 | 1% | 0.01 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -65.3 | -31.1 | 174.8 | -74.6 | 166.2 | 0 | 0 | 0 | 113 | R72 V73 Y78 Q81 I103 E104 G109 F173 | R72-L107 HydrophobicContact CG-CD1 3.73Å; V73-L107 HydrophobicContact CB-CD2 4.37Å; V73-L107 HydrophobicContact CG2-CD2 3.62Å; Y78-L107 WeakPolarHBondContact CB-O 3.42Å; Y78-L107 HydrophobicContact CD1-CB 3.66Å; Y78-L107 HydrophobicContact CD2-CB 4.47Å; Y78-L107 HydrophobicContact CE1-CB 3.46Å; Y78-L107 VanDerWaalsContact CE1-CB 3.46Å; Y78-L107 HydrophobicContact CE1-CD1 4.3Å; Y78-L107 HydrophobicContact CE1-CG 4.49Å; Y78-L107 HydrophobicContact CE2-CB 4.32Å; Y78-L107 HydrophobicContact CE2-CD1 4.37Å; Y78-L107 HydrophobicContact CG-CB 4.18Å; Q81-L107 WeakPolarHBondContact CG-O 3.32Å; Q81-L107 PolarHBondContact NE2-O 3.49Å; I103-L107 HydrophobicContact CG2-CD1 3.93Å; I103-L107 WeakPolarHBondContact O-CB 3.3Å; I103-L107 WeakPolarHBondContact O-CD1 3.47Å; I103-L107 VanDerWaalsContact O-CG 3.25Å; I103-L107 WeakPolarHBondContact O-CG 3.47Å; I103-L107 PolarHBondContact O-N 3.37Å; E104-L107 PolarHBondContact O-N 3.17Å; L107-G109 PolarHBondContact O-N 2.63Å; L107-F173 HydrophobicContact CD1-CE2 4.45Å; L107-F173 HydrophobicContact CD2-CD1 4.11Å; L107-F173 HydrophobicContact CD2-CE1 3.73Å; L107-F173 HydrophobicContact CD2-CE2 4.4Å; L107-F173 HydrophobicContact CD2-CZ 3.88Å; L107-F173 HydrophobicContact CG-CE2 4.49Å; L107-F173 HydrophobicContact CG-CZ 4.45Å |
| 108 | L | 92.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -7.6 | 169.9 | -74.8 | 162.9 | 0 | 0 | 0 | 113.5 | Y78 L83 C84 E104 L105 A106 A509 L552 | Y78-L108 HydrophobicContact CD1-CD2 4.04Å; Y78-L108 HydrophobicContact CD1-CG 3.99Å; Y78-L108 HydrophobicContact CE1-CG 4.39Å; L83-L108 HydrophobicContact CD2-CD2 4.12Å; C84-L108 HydrophobicContact CB-CB 4.03Å; C84-L108 PolarHBondContact N-O 3.33Å; E104-L108 WeakPolarHBondContact O-CG 3.44Å; E104-L108 PolarHBondContact O-N 2.97Å; L105-L108 HydrophobicContact CD2-CD1 4.18Å; L105-L108 PolarHBondContact O-N 2.78Å; A106-L108 VanDerWaalsContact C-N 3.31Å; A106-L108 PolarHBondContact O-N 3.25Å; L108-A509 HydrophobicContact CD1-CB 4.39Å; L108-L552 HydrophobicContact CD1-CD1 3.98Å; L108-L552 HydrophobicContact CD2-CD1 3.91Å; L108-L552 HydrophobicContact CG-CD1 4.06Å |
| 109 | G | 88.9 | Confident | 94.9 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 2% | 0.021 | 9% | 0.087 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.4 | -1.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q81 L105 A106 L107 | Q81-G109 WeakPolarHBondContact O-CA 3.47Å; L105-G109 PolarHBondContact O-N 3.29Å; A106-G109 WeakPolarHBondContact O-CA 3.45Å; A106-G109 PolarHBondContact O-N 3.02Å; L107-G109 PolarHBondContact O-N 2.63Å |
| 110 | A | 91 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | trans | -69.3 | 150.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | C84 V87 V89 L105 V112 | C84-A110 HydrophobicContact CB-CB 3.81Å; C84-A110 VanDerWaalsContact O-CA 3.29Å; C84-A110 WeakPolarHBondContact O-CA 3.37Å; V87-A110 HydrophobicContact CB-CB 4.37Å; V89-A110 HydrophobicContact CG2-CB 3.91Å; L105-A110 HydrophobicContact CB-CB 4.42Å; L105-A110 WeakPolarHBondContact O-CB 3.18Å; L105-A110 PolarHBondContact O-N 2.94Å; A110-V112 HydrophobicContact CB-CG2 4.28Å; A110-V112 PolarHBondContact O-N 2.87Å | ||
| 111 | R | 91.7 | Very high | 94.5 | Very high | 74 Ų | 74 | 24.8 Ų | 24.8 | 28% | 0.279 | 11% | 0.112 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 106.7 | 170.5 | -175.6 | -178.8 | 172.2 | -149.7 | -6.8 | 109.6 | V87 V89 Q176 | V87-R111 PolarHBondContact O-N 2.86Å; V89-R111 PolarHBondContact N-O 3.2Å; R111-Q176 VanDerWaalsContact NH2-OE1 3.17Å |
| 112 | V | 95 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 127.7 | -173.9 | -168.2 | 0 | 0 | 0 | 0 | 112.5 | V89 V91 A102 L105 A106 A110 V175 Q176 | V89-V112 HydrophobicContact CB-CB 4.49Å; V89-V112 HydrophobicContact CB-CG1 4.27Å; V89-V112 HydrophobicContact CB-CG2 4.26Å; V89-V112 HydrophobicContact CG1-CG1 4.3Å; V89-V112 HydrophobicContact CG2-CG2 4.35Å; V91-V112 HydrophobicContact CG2-CG1 3.79Å; A102-V112 HydrophobicContact CB-CG1 3.76Å; L105-V112 HydrophobicContact CB-CG2 3.68Å; A106-V112 HydrophobicContact CB-CG2 4.37Å; A110-V112 HydrophobicContact CB-CG2 4.28Å; A110-V112 PolarHBondContact O-N 2.87Å; V112-V175 HydrophobicContact CB-CG1 4.29Å; V112-V175 HydrophobicContact CB-CG2 4.38Å; V112-V175 HydrophobicContact CG1-CG1 4.14Å; V112-Q176 PolarHBondContact O-N 2.8Å |
| 113 | I | 95.2 | Very high | 94 | Very high | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 128.4 | 169.9 | -56.8 | -165.6 | 0 | 0 | 0 | 109.6 | V89 L90 V91 Q176 F178 L299 F302 | V89-I113 PolarHBondContact O-N 3.38Å; L90-I113 HydrophobicContact CD1-CB 4.32Å; L90-I113 HydrophobicContact CD1-CG2 4.17Å; V91-I113 PolarHBondContact N-O 3.3Å; I113-Q176 CarbonylContact C-O 3.57Å; I113-Q176 WeakPolarHBondContact CA-O 3.11Å; I113-Q176 HydrophobicContact CG1-CB 4.27Å; I113-F178 HydrophobicContact CD1-CE2 4.5Å; I113-F178 HydrophobicContact CG2-CD2 3.63Å; I113-F178 HydrophobicContact CG2-CE2 3.72Å; I113-L299 HydrophobicContact CD1-CD2 3.85Å; I113-L299 HydrophobicContact CG2-CD2 4.14Å; I113-F302 HydrophobicContact CB-CE1 4.14Å; I113-F302 HydrophobicContact CB-CZ 4.38Å; I113-F302 HydrophobicContact CD1-CD1 3.82Å; I113-F302 HydrophobicContact CD1-CD2 3.8Å; I113-F302 HydrophobicContact CD1-CE1 3.67Å; I113-F302 HydrophobicContact CD1-CE2 3.66Å; I113-F302 HydrophobicContact CD1-CG 3.88Å; I113-F302 HydrophobicContact CD1-CZ 3.58Å; I113-F302 HydrophobicContact CG1-CE1 3.91Å; I113-F302 HydrophobicContact CG1-CE2 4.19Å; I113-F302 HydrophobicContact CG1-CZ 3.72Å |
| 114 | I | 97.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 132.7 | 168.5 | -51.9 | -179.6 | 0 | 0 | 0 | 109.3 | V91 C94 M99 A102 V175 Q176 V177 F178 | V91-I114 HydrophobicContact CB-CG1 4.11Å; V91-I114 WeakPolarHBondContact O-CA 3.17Å; C94-I114 HydrophobicContact CB-CG2 3.89Å; M99-I114 HydrophobicContact CG-CD1 3.89Å; A102-I114 HydrophobicContact CB-CD1 3.78Å; A102-I114 HydrophobicContact CB-CG1 4.12Å; I114-V175 HydrophobicContact CD1-CG1 3.73Å; I114-V175 HydrophobicContact CG1-CG1 3.66Å; I114-Q176 PolarHBondContact N-O 3.05Å; I114-V177 HydrophobicContact CB-CG1 4.48Å; I114-V177 HydrophobicContact CB-CG2 4.35Å; I114-V177 HydrophobicContact CD1-CG2 4.28Å; I114-F178 PolarHBondContact O-N 3.1Å |
| 115 | I | 96.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 32.2 Ų | 32.2 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 138.8 | 166 | 55.4 | 174.4 | 0 | 0 | 0 | 110.4 | L90 V91 I92 G93 F178 I181 L292 L299 | L90-I115 HydrophobicContact CD1-CD1 4.1Å; L90-I115 HydrophobicContact CD1-CG1 4.03Å; L90-I115 HydrophobicContact CD1-CG2 4.06Å; L90-I115 HydrophobicContact CD2-CD1 4.25Å; L90-I115 HydrophobicContact CG-CD1 4.41Å; V91-I115 PolarHBondContact O-N 3.1Å; I92-I115 HydrophobicContact CG1-CD1 4.44Å; I92-I115 HydrophobicContact CG2-CG1 4.49Å; G93-I115 PolarHBondContact N-O 3.27Å; I115-F178 HydrophobicContact CG2-CB 4.31Å; I115-I181 HydrophobicContact CB-CB 4.22Å; I115-I181 HydrophobicContact CB-CG2 4.33Å; I115-I181 HydrophobicContact CG2-CB 4.32Å; I115-I181 HydrophobicContact CG2-CD1 4.28Å; I115-I181 HydrophobicContact CG2-CG2 4.22Å; I115-L292 HydrophobicContact CD1-CD2 3.65Å; I115-L299 HydrophobicContact CG2-CD1 3.9Å |
| 116 | D | 95.6 | Very high | 93.6 | Very high | 21 Ų | 21 | 32.6 Ų | 32.6 | 11% | 0.112 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 142.1 | 171.3 | -160.9 | -68.4 | 0 | 0 | 0 | 112.2 | C94 R118 F178 P179 G180 I181 | C94-D116 HydrophobicContact CB-CB 3.76Å; C94-D116 WeakPolarHBondContact CB-OD2 3.5Å; C94-D116 PolarHBondContact N-OD2 3.35Å; D116-R118 PolarHBondContact O-N 3.19Å; D116-R118 WeakPolarHBondContact OD1-CB 3.23Å; D116-R118 PolarHBondContact OD1-N 3.39Å; D116-F178 PolarHBondContact N-O 3.06Å; D116-P179 CarbonylContact O-C 3.57Å; D116-G180 CarbonylContact O-C 3.53Å; D116-G180 WeakPolarHBondContact O-CA 3.39Å; D116-G180 PolarHBondContact O-N 3.01Å; D116-I181 CarbonylContact C-O 3.58Å; D116-I181 PolarHBondContact O-N 2.91Å |
| 117 | K | 93.7 | Very high | 93.4 | Very high | 100 Ų | 100 | 34.6 Ų | 34.6 | 44% | 0.435 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -72.4 | -7.6 | 178.6 | 61.6 | -158.7 | 168.1 | -159.7 | 0 | 114.6 | I181 D311 | K117-I181 PolarHBondContact N-O 2.94Å; K117-D311 PolarHBondContact NZ-O 3.11Å |
| 118 | R | 92 | Very high | 93.2 | Very high | 121 Ų | 121 | 36.4 Ų | 36.4 | 46% | 0.457 | 17% | 0.167 | S | C | . | . | trans | -109.6 | 166.4 | 178.7 | -58.2 | -179.6 | -179.6 | -109.6 | -0.4 | 111.5 | D116 P179 G180 | D116-R118 PolarHBondContact O-N 3.19Å; D116-R118 WeakPolarHBondContact OD1-CB 3.23Å; D116-R118 PolarHBondContact OD1-N 3.39Å; R118-P179 WeakPolarHBondContact O-CB 3.38Å; R118-G180 PolarHBondContact O-N 2.77Å | ||
| 119 | H | 90.3 | Very high | 93.2 | Very high | 106 Ų | 106 | 36.5 Ų | 36.5 | 49% | 0.491 | 17% | 0.167 | S | C | . | . | S | Bend | trans | -109.1 | -9.2 | 170.4 | -64.3 | -91.1 | 0 | 0 | 0 | 113.3 | F23 G180 | F23-H119 WeakPolarHBondContact CD1-O 3.41Å; H119-G180 VanDerWaalsContact CE1-CA 3.47Å; H119-G180 WeakPolarHBondContact CE1-CA 3.5Å; H119-G180 VanDerWaalsContact NE2-CA 3.29Å; H119-G180 WeakPolarHBondContact NE2-CA 3.43Å |
| 120 | T | 92.6 | Very high | 93.4 | Very high | 70 Ų | 70 | 37.1 Ų | 37.1 | 43% | 0.429 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -141.2 | 149.6 | -171.7 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | ||
| 121 | F | 94.7 | Very high | 93.4 | Very high | 23 Ų | 23 | 40.2 Ų | 40.2 | 10% | 0.101 | 19% | 0.189 | C | C | . | . | trans | -89.7 | 116.6 | 165.9 | -61.4 | -30.1 | 0 | 0 | 0 | 108.8 | F23 C94 M99 R160 Q163 L167 | F23-F121 HydrophobicContact CB-CD2 4.29Å; F23-F121 HydrophobicContact CB-CG 4.39Å; F23-F121 HydrophobicContact CD2-CD1 4.04Å; F23-F121 HydrophobicContact CD2-CD2 4.18Å; F23-F121 AromaticContact CD2-CE1 3.62Å; F23-F121 HydrophobicContact CD2-CE1 3.62Å; F23-F121 AromaticContact CD2-CE2 3.77Å; F23-F121 HydrophobicContact CD2-CE2 3.77Å; F23-F121 HydrophobicContact CD2-CG 4.33Å; F23-F121 AromaticContact CD2-CZ 3.49Å; F23-F121 HydrophobicContact CD2-CZ 3.49Å; F23-F121 VanDerWaalsContact CD2-CZ 3.49Å; F23-F121 HydrophobicContact CE2-CE1 4.03Å; F23-F121 AromaticContact CE2-CZ 3.93Å; F23-F121 HydrophobicContact CE2-CZ 3.93Å; C94-F121 HydrophobicContact CB-CE1 4.38Å; M99-F121 HydrophobicContact CE-CZ 4.05Å; M99-F121 HydrophobicContact SD-CZ 4.25Å; F121-R160 HydrophobicContact CB-CB 4.42Å; F121-Q163 HydrophobicContact CB-CB 4.43Å; F121-Q163 HydrophobicContact CD1-CB 3.99Å; F121-Q163 HydrophobicContact CD1-CG 4.43Å; F121-Q163 VanDerWaalsContact CD1-NE2 3.27Å; F121-Q163 HydrophobicContact CD2-CB 3.54Å; F121-Q163 HydrophobicContact CE1-CB 4Å; F121-Q163 HydrophobicContact CE1-CG 4.44Å; F121-Q163 VanDerWaalsContact CE1-NE2 3.26Å; F121-Q163 VanDerWaalsContact CE2-C 3.44Å; F121-Q163 HydrophobicContact CE2-CB 3.56Å; F121-Q163 WeakPolarHBondContact CE2-O 3.27Å; F121-Q163 HydrophobicContact CG-CB 3.75Å; F121-Q163 HydrophobicContact CZ-CB 3.78Å; F121-L167 HydrophobicContact CE2-CB 4Å; F121-L167 HydrophobicContact CE2-CD2 3.74Å; F121-L167 HydrophobicContact CE2-CG 4.47Å; F121-L167 HydrophobicContact CZ-CB 4.28Å; F121-L167 HydrophobicContact CZ-CD2 4.07Å | ||
| 122 | S | 91.6 | Very high | 93.5 | Very high | 22 Ų | 22 | 37 Ų | 37 | 15% | 0.154 | 18% | 0.177 | C | C | . | . | trans | -139.4 | 22.9 | -160.3 | 78.2 | 0 | 0 | 0 | 0 | 114.6 | S447 | S122-S447 WeakPolarHBondContact OG-CB 3.34Š| ||
| 123 | R | 94.2 | Very high | 93.5 | Very high | 96 Ų | 96 | 37 Ų | 37 | 36% | 0.362 | 18% | 0.177 | S | C | . | . | trans | -112.2 | 113.3 | -179.3 | -69.5 | -179.6 | -70.1 | 178 | 0.7 | 109.1 | I159 R160 | R123-I159 HydrophobicContact CB-CB 3.97Å; R123-I159 HydrophobicContact CB-CD1 4.14Å; R123-I159 HydrophobicContact CB-CG2 4Å; R123-R160 WeakPolarHBondContact O-CB 3.23Å; R123-R160 WeakPolarHBondContact O-CG 3.37Å; R123-R160 PolarHBondContact O-N 3.18Å | ||
| 124 | N | 94.3 | Very high | 93.5 | Very high | 14 Ų | 14 | 38.2 Ų | 38.2 | 8% | 0.075 | 18% | 0.183 | C | C | . | . | trans | -85.2 | -25.3 | -179.1 | -54.5 | -43.5 | 0 | 0 | 0 | 112.4 | S158 R160 T383 L445 D452 | N124-S158 WeakPolarHBondContact O-CB 3.5Å; N124-R160 VanDerWaalsContact OD1-CD 3.28Å; N124-R160 WeakPolarHBondContact OD1-CD 3.4Å; N124-R160 PolarHBondContact OD1-NH1 2.84Å; N124-T383 HydrophobicContact CB-CG2 4.37Å; N124-L445 PolarHBondContact ND2-O 2.82Å; N124-L445 VanDerWaalsContact ND2-O 3.11Å; N124-D452 WeakPolarHBondContact CB-OD2 3.15Å; N124-D452 PolarHBondContact ND2-OD2 2.81Å | ||
| 125 | N | 94 | Very high | 93.3 | Very high | 23 Ų | 23 | 42 Ų | 42 | 12% | 0.123 | 20% | 0.201 | C | C | . | . | trans | -45.2 | 144 | 178 | -68.6 | 20 | 0 | 0 | 0 | 112.8 | I159 T333 N335 Y385 | N125-I159 HydrophobicContact CB-CD1 4.02Å; N125-I159 VanDerWaalsContact O-CG1 3.23Å; N125-I159 WeakPolarHBondContact O-CG1 3.29Å; N125-I159 PolarHBondContact O-N 2.82Å; N125-T333 WeakPolarHBondContact ND2-CB 3.34Å; N125-T333 PolarHBondContact ND2-OG1 3.39Å; N125-N335 PolarHBondContact OD1-ND2 2.83Å; N125-Y385 HydrophobicContact CB-CD2 4.27Å; N125-Y385 HydrophobicContact CB-CE2 3.63Å | ||
| 126 | V | 93.3 | Very high | 93.2 | Very high | 8 Ų | 8 | 43.1 Ų | 43.1 | 5% | 0.048 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 135.3 | -168.5 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | H156 Y379 D381 Y385 | V126-H156 HydrophobicContact CG1-CB 3.59Å; V126-Y379 HydrophobicContact CB-CD2 4.26Å; V126-Y379 HydrophobicContact CG1-CD2 3.78Å; V126-Y379 HydrophobicContact CG1-CG 4.25Å; V126-D381 HydrophobicContact CG1-CB 4.24Å; V126-D381 HydrophobicContact CG2-CB 3.5Å; V126-D381 VanDerWaalsContact CG2-CB 3.5Å; V126-Y385 HydrophobicContact CB-CD1 3.68Å; V126-Y385 HydrophobicContact CB-CD2 4.43Å; V126-Y385 HydrophobicContact CB-CE1 4.18Å; V126-Y385 HydrophobicContact CB-CG 3.77Å; V126-Y385 HydrophobicContact CG2-CD1 4.23Å; V126-Y385 HydrophobicContact CG2-CD2 4.43Å; V126-Y385 HydrophobicContact CG2-CG 3.83Å |
| 127 | L | 92.4 | Very high | 93.2 | Very high | 44 Ų | 44 | 42.1 Ų | 42.1 | 23% | 0.23 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 128.8 | 175 | -59.5 | 175.1 | 0 | 0 | 0 | 109.9 | H156 I157 I159 L162 C498 | L127-H156 CarbonylContact O-C 3.57Å; L127-H156 WeakPolarHBondContact O-CA 3.22Å; L127-H156 VanDerWaalsContact O-CB 3.24Å; L127-H156 WeakPolarHBondContact O-CB 3.41Å; L127-I157 PolarHBondContact N-O 2.98Å; L127-I157 PolarHBondContact O-N 3.3Å; L127-I159 HydrophobicContact CD1-CG1 3.81Å; L127-I159 HydrophobicContact CD2-CD1 4.25Å; L127-I159 HydrophobicContact CD2-CG1 3.87Å; L127-I159 HydrophobicContact CG-CD1 4.47Å; L127-I159 HydrophobicContact CG-CG1 3.58Å; L127-L162 HydrophobicContact CD1-CD2 3.87Å; L127-C498 HydrophobicContact CD1-CB 4.19Å |
| 128 | H | 90.9 | Very high | 93.3 | Very high | 40 Ų | 40 | 41.6 Ų | 41.6 | 19% | 0.185 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 147 | 162.4 | 173.2 | 75 | 0 | 0 | 0 | 110.6 | W130 D155 Y379 | H128-W130 AromaticContact CD2-CD1 3.75Å; H128-W130 AromaticContact NE2-CD1 3.68Å; H128-D155 VanDerWaalsContact CE1-CG 3.4Å; H128-D155 IonicContact CE1-OD1 3.34Å; H128-D155 IonicContact CE1-OD2 3.56Å; H128-D155 PolarHBondContact CE1-OD2 3.41Å; H128-D155 VanDerWaalsContact CE1-OD2 3.31Å; H128-D155 VanDerWaalsContact ND1-CG 3.25Å; H128-D155 IonicContact ND1-OD1 3.58Å; H128-D155 PolarHBondContact ND1-OD1 2.93Å; H128-D155 IonicContact ND1-OD2 2.8Å; H128-Y379 HydrophobicContact CB-CE2 4.34Å |
| 129 | L | 92.5 | Very high | 93.4 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | trans | -122 | 113.1 | -174.7 | -57.8 | 175.4 | 0 | 0 | 0 | 110.3 | L133 I134 L137 F149 D155 I157 C498 | L129-L133 HydrophobicContact CB-CB 4.28Å; L129-L133 HydrophobicContact CB-CD1 4.34Å; L129-L133 HydrophobicContact CD2-CB 4.43Å; L129-L133 HydrophobicContact CD2-CD1 3.93Å; L129-I134 HydrophobicContact CB-CD1 4.27Å; L129-I134 HydrophobicContact CB-CG1 3.76Å; L129-I134 HydrophobicContact CD1-CG1 4.32Å; L129-L137 HydrophobicContact CD1-CD1 4.35Å; L129-F149 HydrophobicContact CD1-CE2 3.85Å; L129-F149 HydrophobicContact CD1-CZ 4.07Å; L129-D155 WeakPolarHBondContact CA-O 2.97Å; L129-D155 VanDerWaalsContact CB-O 3.28Å; L129-D155 WeakPolarHBondContact CB-O 3.44Å; L129-D155 PolarHBondContact N-O 3.14Å; L129-I157 HydrophobicContact CD1-CB 4.24Å; L129-I157 HydrophobicContact CD1-CG2 3.84Å; L129-I157 HydrophobicContact CD2-CG2 3.95Å; L129-I157 HydrophobicContact CG-CG2 4.11Å; L129-C498 HydrophobicContact CD2-CB 4.44Å | ||
| 130 | W | 91.9 | Very high | 93.6 | Very high | 15 Ų | 15 | 33.1 Ų | 33.1 | 6% | 0.057 | 17% | 0.173 | C | C | . | . | trans | -59.7 | 150.8 | 170.9 | -67.1 | -1 | 0 | 0 | 0 | 111.4 | H128 Y132 L133 I134 A499 L500 M503 T538 A540 M543 | H128-W130 AromaticContact CD2-CD1 3.75Å; H128-W130 AromaticContact NE2-CD1 3.68Å; W130-Y132 VanDerWaalsContact C-N 3.27Å; W130-Y132 HydrophobicContact CB-CD1 4.07Å; W130-Y132 HydrophobicContact CB-CE1 4.09Å; W130-Y132 HydrophobicContact CE3-CE1 4.17Å; W130-Y132 PolarHBondContact O-N 2.84Å; W130-L133 VanDerWaalsContact O-CB 3.32Å; W130-L133 WeakPolarHBondContact O-CB 3.33Å; W130-L133 PolarHBondContact O-N 3.27Å; W130-I134 PolarHBondContact O-N 3.4Å; W130-A499 HydrophobicContact CB-CB 4.34Å; W130-A499 HydrophobicContact CD2-CB 3.45Å; W130-A499 VanDerWaalsContact CD2-CB 3.45Å; W130-A499 HydrophobicContact CE3-CB 3.3Å; W130-A499 HydrophobicContact CG-CB 3.93Å; W130-A499 HydrophobicContact CH2-CB 4.24Å; W130-A499 HydrophobicContact CZ2-CB 4.41Å; W130-A499 HydrophobicContact CZ3-CB 3.73Å; W130-L500 HydrophobicContact CH2-CD2 4.25Å; W130-L500 HydrophobicContact CZ3-CD2 4.34Å; W130-M503 HydrophobicContact CE3-CE 4.03Å; W130-M503 HydrophobicContact CZ3-CE 3.84Å; W130-T538 HydrophobicContact CZ3-CG2 4.44Å; W130-A540 HydrophobicContact CD2-CB 4.02Å; W130-A540 HydrophobicContact CE3-CB 4.36Å; W130-A540 HydrophobicContact CG-CB 4.22Å; W130-M543 HydrophobicContact CE3-CE 3.53Å; W130-M543 HydrophobicContact CZ3-CE 4.06Å | ||
| 131 | P | 91.9 | Very high | 93.7 | Very high | 66 Ų | 66 | 29.8 Ų | 29.8 | 43% | 0.429 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -51.7 | -36.3 | -170 | -32.5 | 37.2 | 0 | 0 | 0 | 116.2 | I134 E135 F547 | P131-I134 WeakPolarHBondContact O-CB 3.45Å; P131-I134 PolarHBondContact O-N 2.88Å; P131-E135 PolarHBondContact O-N 2.97Å; P131-F547 HydrophobicContact CB-CD2 4.12Å; P131-F547 HydrophobicContact CB-CE2 3.56Å; P131-F547 HydrophobicContact CB-CZ 4.11Å |
| 132 | Y | 93.9 | Very high | 93.7 | Very high | 7 Ų | 7 | 28.7 Ų | 28.7 | 3% | 0.027 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -69.7 | -30.3 | 177.8 | 89.3 | -80.3 | 0 | 0 | 0 | 113.4 | W130 I134 E135 D136 A499 M503 M543 F547 Y550 | W130-Y132 VanDerWaalsContact C-N 3.27Å; W130-Y132 HydrophobicContact CB-CD1 4.07Å; W130-Y132 HydrophobicContact CB-CE1 4.09Å; W130-Y132 HydrophobicContact CE3-CE1 4.17Å; W130-Y132 PolarHBondContact O-N 2.84Å; Y132-I134 VanDerWaalsContact C-N 3.31Å; Y132-E135 PolarHBondContact O-N 3.24Å; Y132-D136 WeakPolarHBondContact O-CB 3.34Å; Y132-D136 PolarHBondContact O-N 3.49Å; Y132-A499 HydrophobicContact CE1-CB 3.95Å; Y132-A499 VanDerWaalsContact OH-C 3.27Å; Y132-A499 WeakPolarHBondContact OH-CA 3.46Å; Y132-A499 PolarHBondContact OH-O 3.03Å; Y132-M503 HydrophobicContact CD1-CE 4.5Å; Y132-M503 HydrophobicContact CE1-CE 3.56Å; Y132-M503 WeakPolarHBondContact OH-CE 3.41Å; Y132-M543 HydrophobicContact CD1-CE 3.72Å; Y132-M543 HydrophobicContact CD1-SD 3.98Å; Y132-M543 HydrophobicContact CE1-CE 4.05Å; Y132-M543 HydrophobicContact CE1-SD 4.15Å; Y132-F547 VanDerWaalsContact CB-CD1 3.43Å; Y132-Y550 AromaticContact CD2-CD2 3.63Å; Y132-Y550 HydrophobicContact CD2-CD2 3.63Å; Y132-Y550 AromaticContact CD2-CE2 3.71Å; Y132-Y550 HydrophobicContact CD2-CE2 3.71Å; Y132-Y550 HydrophobicContact CE2-CD2 4.42Å; Y132-Y550 HydrophobicContact CE2-CE2 4.46Å; Y132-Y550 HydrophobicContact CG-CD2 4.09Å; Y132-Y550 AromaticContact CG-CE2 3.77Å; Y132-Y550 HydrophobicContact CG-CE2 3.77Å |
| 133 | L | 94.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65 | -39.9 | 173.5 | -69 | 176.1 | 0 | 0 | 0 | 110.7 | L129 W130 E135 D136 L137 C498 A499 F502 | L129-L133 HydrophobicContact CB-CB 4.28Å; L129-L133 HydrophobicContact CB-CD1 4.34Å; L129-L133 HydrophobicContact CD2-CB 4.43Å; L129-L133 HydrophobicContact CD2-CD1 3.93Å; W130-L133 VanDerWaalsContact O-CB 3.32Å; W130-L133 WeakPolarHBondContact O-CB 3.33Å; W130-L133 PolarHBondContact O-N 3.27Å; L133-E135 PolarHBondContact O-N 3.36Å; L133-D136 PolarHBondContact O-N 3.04Å; L133-L137 VanDerWaalsContact O-CB 3.24Å; L133-L137 WeakPolarHBondContact O-CB 3.44Å; L133-L137 WeakPolarHBondContact O-CD1 3.38Å; L133-L137 WeakPolarHBondContact O-CG 3.34Å; L133-L137 PolarHBondContact O-N 3.46Å; L133-C498 HydrophobicContact CD1-CB 3.87Å; L133-A499 HydrophobicContact CD1-CB 4.07Å; L133-F502 HydrophobicContact CD2-CB 3.72Å; L133-F502 HydrophobicContact CD2-CD1 4.32Å; L133-F502 HydrophobicContact CD2-CD2 3.29Å; L133-F502 HydrophobicContact CD2-CE2 3.89Å; L133-F502 HydrophobicContact CD2-CG 3.53Å |
| 134 | I | 94.2 | Very high | 93.7 | Very high | 24 Ų | 24 | 30.8 Ų | 30.8 | 12% | 0.123 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -38.5 | 177.7 | -61.2 | 178.1 | 0 | 0 | 0 | 109.7 | L129 W130 P131 Y132 K138 F149 C150 D155 | L129-I134 HydrophobicContact CB-CD1 4.27Å; L129-I134 HydrophobicContact CB-CG1 3.76Å; L129-I134 HydrophobicContact CD1-CG1 4.32Å; W130-I134 PolarHBondContact O-N 3.4Å; P131-I134 WeakPolarHBondContact O-CB 3.45Å; P131-I134 PolarHBondContact O-N 2.88Å; Y132-I134 VanDerWaalsContact C-N 3.31Å; I134-K138 HydrophobicContact CG2-CD 4.41Å; I134-K138 WeakPolarHBondContact O-CB 3.12Å; I134-K138 WeakPolarHBondContact O-CD 3.02Å; I134-K138 WeakPolarHBondContact O-CG 3.31Å; I134-K138 PolarHBondContact O-N 2.87Å; I134-F149 HydrophobicContact CG2-CE1 4.38Å; I134-C150 HydrophobicContact CG2-CB 3.96Å; I134-D155 HydrophobicContact CD1-CB 4.22Å |
| 135 | E | 93.2 | Very high | 93.7 | Very high | 80 Ų | 80 | 31 Ų | 31 | 37% | 0.374 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -76.3 | -42.8 | 178.2 | -154.9 | 55.3 | -144 | 0 | 0 | 113.3 | P131 Y132 L133 L137 K138 A139 | P131-E135 PolarHBondContact O-N 2.97Å; Y132-E135 PolarHBondContact O-N 3.24Å; L133-E135 PolarHBondContact O-N 3.36Å; E135-L137 PolarHBondContact O-N 2.67Å; E135-K138 PolarHBondContact O-N 3.4Å; E135-K138 VanDerWaalsContact OE2-CD 3.29Å; E135-K138 WeakPolarHBondContact OE2-CD 3.23Å; E135-K138 IonicContact OE2-NZ 2.64Å; E135-K138 PolarHBondContact OE2-NZ 3.13Å; E135-A139 WeakPolarHBondContact O-CB 3.48Å; E135-A139 PolarHBondContact O-N 2.85Å |
| 136 | D | 95.5 | Very high | 93.6 | Very high | 24 Ų | 24 | 31.7 Ų | 31.7 | 13% | 0.128 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -56.9 | -46.7 | 172.9 | -178.8 | 66.1 | 0 | 0 | 0 | 111.6 | R100 Y132 L133 A139 L140 | R100-D136 IonicContact CZ-OD1 3.59Å; R100-D136 IonicContact CZ-OD2 2.6Å; R100-D136 IonicContact NE-OD1 3.57Å; R100-D136 IonicContact NE-OD2 3.99Å; R100-D136 PolarHBondContact NE-OD2 3.25Å; R100-D136 IonicContact NH2-OD1 2.72Å; R100-D136 PolarHBondContact NH2-OD1 2.91Å; R100-D136 IonicContact NH2-OD2 3.98Å; R100-D136 PolarHBondContact NH2-OD2 2.89Å; Y132-D136 WeakPolarHBondContact O-CB 3.34Å; Y132-D136 PolarHBondContact O-N 3.49Å; L133-D136 PolarHBondContact O-N 3.04Å; D136-A139 PolarHBondContact O-N 3.02Å; D136-L140 WeakPolarHBondContact O-CG 3.14Å; D136-L140 PolarHBondContact O-N 3.41Å |
| 137 | L | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.4 | -35.3 | 177.7 | -69.3 | 169.9 | 0 | 0 | 0 | 112.5 | L129 L133 E135 L140 G141 A142 F149 L162 L166 F502 | L129-L137 HydrophobicContact CD1-CD1 4.35Å; L133-L137 VanDerWaalsContact O-CB 3.24Å; L133-L137 WeakPolarHBondContact O-CB 3.44Å; L133-L137 WeakPolarHBondContact O-CD1 3.38Å; L133-L137 WeakPolarHBondContact O-CG 3.34Å; L133-L137 PolarHBondContact O-N 3.46Å; E135-L137 PolarHBondContact O-N 2.67Å; L137-L140 CarbonylContact O-C 3.57Å; L137-L140 PolarHBondContact O-N 3.06Å; L137-G141 PolarHBondContact O-N 3.44Å; L137-A142 HydrophobicContact CB-CB 3.99Å; L137-A142 WeakPolarHBondContact O-CB 3.32Å; L137-A142 PolarHBondContact O-N 2.95Å; L137-F149 HydrophobicContact CB-CE1 3.89Å; L137-F149 HydrophobicContact CB-CE2 4.31Å; L137-F149 HydrophobicContact CB-CZ 3.51Å; L137-F149 HydrophobicContact CD1-CE2 3.98Å; L137-F149 HydrophobicContact CD1-CZ 3.71Å; L137-F149 HydrophobicContact CG-CZ 4.26Å; L137-L162 HydrophobicContact CD1-CD1 3.72Å; L137-L162 HydrophobicContact CD2-CD1 3.84Å; L137-L162 HydrophobicContact CG-CD1 4.47Å; L137-L166 HydrophobicContact CD2-CD2 4.06Å; L137-F502 HydrophobicContact CD2-CE2 4.14Å; L137-F502 HydrophobicContact CD2-CZ 4.33Å; L137-F502 HydrophobicContact CG-CE2 4.39Å |
| 138 | K | 94.3 | Very high | 93.1 | Very high | 90 Ų | 90 | 36.9 Ų | 36.9 | 39% | 0.391 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.2 | -42.5 | 170.3 | -78.8 | 166.9 | -167.1 | 161.9 | 0 | 111.8 | I134 E135 G141 F149 | I134-K138 HydrophobicContact CG2-CD 4.41Å; I134-K138 WeakPolarHBondContact O-CB 3.12Å; I134-K138 WeakPolarHBondContact O-CD 3.02Å; I134-K138 WeakPolarHBondContact O-CG 3.31Å; I134-K138 PolarHBondContact O-N 2.87Å; E135-K138 PolarHBondContact O-N 3.4Å; E135-K138 VanDerWaalsContact OE2-CD 3.29Å; E135-K138 WeakPolarHBondContact OE2-CD 3.23Å; E135-K138 IonicContact OE2-NZ 2.64Å; E135-K138 PolarHBondContact OE2-NZ 3.13Å; K138-G141 PolarHBondContact O-N 3.49Å; K138-F149 HydrophobicContact CG-CE1 4.27Å |
| 139 | A | 94 | Very high | 93 | Very high | 47 Ų | 47 | 35.2 Ų | 35.2 | 39% | 0.388 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -64.3 | -39.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | E135 D136 G141 | E135-A139 WeakPolarHBondContact O-CB 3.48Å; E135-A139 PolarHBondContact O-N 2.85Å; D136-A139 PolarHBondContact O-N 3.02Å; A139-G141 PolarHBondContact O-N 2.76Å |
| 140 | L | 95.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | 6.1 | 170.5 | -63.4 | 178.4 | 0 | 0 | 0 | 114.1 | I103 D136 L137 V169 | I103-L140 HydrophobicContact CG2-CD2 4.3Å; D136-L140 WeakPolarHBondContact O-CG 3.14Å; D136-L140 PolarHBondContact O-N 3.41Å; L137-L140 CarbonylContact O-C 3.57Å; L137-L140 PolarHBondContact O-N 3.06Å; L140-V169 HydrophobicContact CB-CG1 4.42Å; L140-V169 HydrophobicContact CB-CG2 4.37Å; L140-V169 HydrophobicContact CD2-CG1 4.17Å; L140-V169 VanDerWaalsContact O-CG2 3.3Å; L140-V169 WeakPolarHBondContact O-CG2 3.49Å |
| 141 | G | 94.7 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.9 | 17.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116 | L137 K138 A139 K143 T144 F145 | L137-G141 PolarHBondContact O-N 3.44Å; K138-G141 PolarHBondContact O-N 3.49Å; A139-G141 PolarHBondContact O-N 2.76Å; G141-K143 PolarHBondContact O-N 3.2Å; G141-K143 VanDerWaalsContact O-N 3.08Å; G141-T144 VanDerWaalsContact O-CB 3.31Å; G141-T144 WeakPolarHBondContact O-CB 3.38Å; G141-T144 PolarHBondContact O-N 3.23Å; G141-F145 WeakPolarHBondContact O-CD2 3.2Å |
| 142 | A | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -47.8 | -41.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | L137 T144 F145 F146 F149 I165 | L137-A142 HydrophobicContact CB-CB 3.99Å; L137-A142 WeakPolarHBondContact O-CB 3.32Å; L137-A142 PolarHBondContact O-N 2.95Å; A142-T144 PolarHBondContact O-N 3.02Å; A142-F145 PolarHBondContact O-N 3.05Å; A142-F145 VanDerWaalsContact O-N 3.09Å; A142-F146 PolarHBondContact O-N 2.93Å; A142-F149 HydrophobicContact CB-CD1 3.74Å; A142-F149 HydrophobicContact CB-CD2 4.16Å; A142-F149 HydrophobicContact CB-CE1 3.96Å; A142-F149 HydrophobicContact CB-CE2 4.37Å; A142-F149 HydrophobicContact CB-CG 3.85Å; A142-F149 HydrophobicContact CB-CZ 4.28Å; A142-I165 HydrophobicContact CB-CD1 4.24Å; A142-I165 HydrophobicContact CB-CG2 3.9Å |
| 143 | K | 92.8 | Very high | 90.7 | Very high | 134 Ų | 134 | 39.6 Ų | 39.6 | 58% | 0.583 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -64.2 | -20.7 | 178.2 | -169.6 | 169 | -178.4 | 175.4 | 0 | 114.2 | G141 G147 | G141-K143 PolarHBondContact O-N 3.2Å; G141-K143 VanDerWaalsContact O-N 3.08Å; K143-G147 WeakPolarHBondContact O-CA 3.36Å |
| 144 | T | 92.3 | Very high | 90.2 | Very high | 28 Ų | 28 | 42 Ų | 42 | 17% | 0.172 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -76.1 | -37.2 | 172.8 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | L65 G141 A142 | L65-T144 HydrophobicContact CB-CG2 4.37Å; G141-T144 VanDerWaalsContact O-CB 3.31Å; G141-T144 WeakPolarHBondContact O-CB 3.38Å; G141-T144 PolarHBondContact O-N 3.23Å; A142-T144 PolarHBondContact O-N 3.02Å |
| 145 | F | 94 | Very high | 89.9 | Confident | 18 Ų | 18 | 42.8 Ų | 42.8 | 8% | 0.079 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -87.4 | -23.8 | -178.9 | -56.9 | -60.1 | 0 | 0 | 0 | 113.8 | F17 L65 G141 A142 I165 K168 V169 L172 | F17-F145 HydrophobicContact CE1-CE1 4.23Å; L65-F145 HydrophobicContact CD1-CE2 4.01Å; L65-F145 HydrophobicContact CD1-CZ 3.94Å; L65-F145 HydrophobicContact CD2-CE1 3.9Å; L65-F145 HydrophobicContact CD2-CE2 4.46Å; L65-F145 HydrophobicContact CD2-CZ 3.58Å; L65-F145 HydrophobicContact CG-CZ 4.41Å; G141-F145 WeakPolarHBondContact O-CD2 3.2Å; A142-F145 PolarHBondContact O-N 3.05Å; A142-F145 VanDerWaalsContact O-N 3.09Å; F145-I165 HydrophobicContact CB-CG1 4.23Å; F145-I165 HydrophobicContact CD2-CG2 4.3Å; F145-K168 HydrophobicContact CB-CD 4.08Å; F145-K168 HydrophobicContact CD1-CB 4.06Å; F145-K168 HydrophobicContact CD1-CD 3.46Å; F145-K168 VanDerWaalsContact CD1-CD 3.46Å; F145-K168 HydrophobicContact CD1-CG 4.35Å; F145-K168 HydrophobicContact CE1-CB 3.83Å; F145-K168 HydrophobicContact CE1-CD 4Å; F145-K168 HydrophobicContact CE1-CG 4.46Å; F145-K168 HydrophobicContact CE2-CB 4.4Å; F145-K168 HydrophobicContact CG-CB 4.41Å; F145-K168 HydrophobicContact CG-CD 3.88Å; F145-K168 HydrophobicContact CZ-CB 3.99Å; F145-V169 HydrophobicContact CD2-CG2 4.34Å; F145-V169 HydrophobicContact CE2-CG2 3.61Å; F145-V169 HydrophobicContact CZ-CG2 4.35Å; F145-L172 HydrophobicContact CE1-CD1 4.5Å; F145-L172 HydrophobicContact CZ-CD1 3.89Å |
| 146 | F | 92.1 | Very high | 89.9 | Confident | 38 Ų | 38 | 39.1 Ų | 39.1 | 17% | 0.167 | 24% | 0.237 | C | C | . | . | trans | -144.1 | 94.9 | 177.4 | -174.9 | -119.9 | 0 | 0 | 0 | 109.1 | A142 K148 F149 T161 I165 E382 | A142-F146 PolarHBondContact O-N 2.93Å; F146-K148 HydrophobicContact CD1-CB 4.29Å; F146-K148 HydrophobicContact CE1-CB 3.8Å; F146-K148 HydrophobicContact CE2-CB 4.31Å; F146-K148 HydrophobicContact CZ-CB 3.82Å; F146-K148 HydrophobicContact CZ-CD 4.28Å; F146-K148 PolarHBondContact O-N 3.25Å; F146-K148 VanDerWaalsContact O-N 3.09Å; F146-F149 HydrophobicContact CD1-CB 3.94Å; F146-F149 WeakPolarHBondContact O-CB 3.37Å; F146-F149 PolarHBondContact O-N 3.44Å; F146-T161 HydrophobicContact CB-CG2 4.4Å; F146-T161 HydrophobicContact CD1-CG2 4.01Å; F146-T161 HydrophobicContact CD2-CG2 3.66Å; F146-T161 HydrophobicContact CE1-CG2 4.11Å; F146-T161 HydrophobicContact CE2-CG2 3.76Å; F146-T161 HydrophobicContact CG-CG2 3.79Å; F146-T161 HydrophobicContact CZ-CG2 3.98Å; F146-I165 HydrophobicContact CB-CD1 3.87Å; F146-I165 HydrophobicContact CB-CG1 4.24Å; F146-E382 HydrophobicContact CZ-CG 4.4Å | ||
| 147 | G | 88 | Confident | 89.9 | Confident | 56 Ų | 56 | 38 Ų | 38 | 58% | 0.577 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | -22.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | K143 F149 | K143-G147 WeakPolarHBondContact O-CA 3.36Å; G147-F149 VanDerWaalsContact C-N 3.3Å |
| 148 | K | 86.7 | Confident | 89.8 | Confident | 105 Ų | 105 | 38.1 Ų | 38.1 | 46% | 0.457 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.6 | -8.6 | 174.3 | -65.7 | -175.8 | 177.6 | -176.7 | 0 | 113.9 | F146 C150 A151 H340 | F146-K148 HydrophobicContact CD1-CB 4.29Å; F146-K148 HydrophobicContact CE1-CB 3.8Å; F146-K148 HydrophobicContact CE2-CB 4.31Å; F146-K148 HydrophobicContact CZ-CB 3.82Å; F146-K148 HydrophobicContact CZ-CD 4.28Å; F146-K148 PolarHBondContact O-N 3.25Å; F146-K148 VanDerWaalsContact O-N 3.09Å; K148-C150 PolarHBondContact O-N 2.91Å; K148-C150 VanDerWaalsContact O-N 3.08Å; K148-A151 WeakPolarHBondContact O-CB 3.34Å; K148-A151 PolarHBondContact O-N 2.89Å; K148-A151 VanDerWaalsContact O-N 3.09Å; K148-H340 PolarHBondContact NZ-NE2 2.94Å |
| 149 | F | 89.6 | Confident | 89.9 | Confident | 6 Ų | 6 | 34.8 Ų | 34.8 | 3% | 0.026 | 22% | 0.218 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 114.7 | -173 | -175.4 | -104.2 | 0 | 0 | 0 | 112.2 | L129 I134 L137 K138 A142 F146 G147 A151 I157 I165 | L129-F149 HydrophobicContact CD1-CE2 3.85Å; L129-F149 HydrophobicContact CD1-CZ 4.07Å; I134-F149 HydrophobicContact CG2-CE1 4.38Å; L137-F149 HydrophobicContact CB-CE1 3.89Å; L137-F149 HydrophobicContact CB-CE2 4.31Å; L137-F149 HydrophobicContact CB-CZ 3.51Å; L137-F149 HydrophobicContact CD1-CE2 3.98Å; L137-F149 HydrophobicContact CD1-CZ 3.71Å; L137-F149 HydrophobicContact CG-CZ 4.26Å; K138-F149 HydrophobicContact CG-CE1 4.27Å; A142-F149 HydrophobicContact CB-CD1 3.74Å; A142-F149 HydrophobicContact CB-CD2 4.16Å; A142-F149 HydrophobicContact CB-CE1 3.96Å; A142-F149 HydrophobicContact CB-CE2 4.37Å; A142-F149 HydrophobicContact CB-CG 3.85Å; A142-F149 HydrophobicContact CB-CZ 4.28Å; F146-F149 HydrophobicContact CD1-CB 3.94Å; F146-F149 WeakPolarHBondContact O-CB 3.37Å; F146-F149 PolarHBondContact O-N 3.44Å; G147-F149 VanDerWaalsContact C-N 3.3Å; F149-A151 VanDerWaalsContact C-N 3.25Å; F149-A151 PolarHBondContact O-N 2.56Å; F149-I157 HydrophobicContact CD2-CD1 3.97Å; F149-I157 HydrophobicContact CE2-CD1 4.06Å; F149-I165 HydrophobicContact CD2-CD1 4.44Å |
| 150 | C | 83.5 | Confident | 89.9 | Confident | 25 Ų | 25 | 36.1 Ų | 36.1 | 17% | 0.169 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 46.4 | 45.8 | -176.4 | -60.7 | 0 | 0 | 0 | 0 | 113.6 | I134 K148 I154 | I134-C150 HydrophobicContact CG2-CB 3.96Å; K148-C150 PolarHBondContact O-N 2.91Å; K148-C150 VanDerWaalsContact O-N 3.08Å; C150-I154 VanDerWaalsContact CA-O 3.26Å; C150-I154 WeakPolarHBondContact CA-O 3.34Å; C150-I154 WeakPolarHBondContact CB-O 3.35Å; C150-I154 PolarHBondContact SG-O 2.94Å |
| 151 | A | 81.7 | Confident | 89.9 | Confident | 45 Ų | 45 | 36.8 Ų | 36.8 | 37% | 0.372 | 22% | 0.217 | S | C | . | . | trans | -73.8 | 134.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111 | K148 F149 S153 I154 | K148-A151 WeakPolarHBondContact O-CB 3.34Å; K148-A151 PolarHBondContact O-N 2.89Å; K148-A151 VanDerWaalsContact O-N 3.09Å; F149-A151 VanDerWaalsContact C-N 3.25Å; F149-A151 PolarHBondContact O-N 2.56Å; A151-S153 PolarHBondContact O-N 2.89Å; A151-I154 WeakPolarHBondContact O-CB 3.36Å; A151-I154 WeakPolarHBondContact O-CG1 3.49Å; A151-I154 PolarHBondContact O-N 2.67Å | ||
| 152 | G | 81.1 | Confident | 90 | Very high | 62 Ų | 62 | 36.8 Ų | 36.8 | 64% | 0.639 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | -115.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 153 | S | 76.1 | Confident | 90.1 | Very high | 49 Ų | 49 | 37.1 Ų | 37.1 | 34% | 0.343 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 13 | 177.2 | 66.5 | 0 | 0 | 0 | 0 | 114 | A151 D155 | A151-S153 PolarHBondContact O-N 2.89Å; S153-D155 PolarHBondContact O-N 3.41Å |
| 154 | I | 83.2 | Confident | 90.3 | Very high | 50 Ų | 50 | 31.1 Ų | 31.1 | 26% | 0.256 | 19% | 0.194 | S | C | . | . | trans | -68.4 | 118.8 | 178.9 | -65.7 | 170.2 | 0 | 0 | 0 | 109.1 | C150 A151 H156 | C150-I154 VanDerWaalsContact CA-O 3.26Å; C150-I154 WeakPolarHBondContact CA-O 3.34Å; C150-I154 WeakPolarHBondContact CB-O 3.35Å; C150-I154 PolarHBondContact SG-O 2.94Å; A151-I154 WeakPolarHBondContact O-CB 3.36Å; A151-I154 WeakPolarHBondContact O-CG1 3.49Å; A151-I154 PolarHBondContact O-N 2.67Å; I154-H156 WeakPolarHBondContact CG2-O 3.43Å | ||
| 155 | D | 88.8 | Confident | 90.6 | Very high | 40 Ų | 40 | 30 Ų | 30 | 21% | 0.214 | 19% | 0.186 | C | C | . | . | trans | -113.1 | 19.5 | 176.6 | 68.1 | 21.4 | 0 | 0 | 0 | 112.9 | H128 L129 I134 S153 | H128-D155 VanDerWaalsContact CE1-CG 3.4Å; H128-D155 IonicContact CE1-OD1 3.34Å; H128-D155 IonicContact CE1-OD2 3.56Å; H128-D155 PolarHBondContact CE1-OD2 3.41Å; H128-D155 VanDerWaalsContact CE1-OD2 3.31Å; H128-D155 VanDerWaalsContact ND1-CG 3.25Å; H128-D155 IonicContact ND1-OD1 3.58Å; H128-D155 PolarHBondContact ND1-OD1 2.93Å; H128-D155 IonicContact ND1-OD2 2.8Å; L129-D155 WeakPolarHBondContact CA-O 2.97Å; L129-D155 VanDerWaalsContact CB-O 3.28Å; L129-D155 WeakPolarHBondContact CB-O 3.44Å; L129-D155 PolarHBondContact N-O 3.14Å; I134-D155 HydrophobicContact CD1-CB 4.22Å; S153-D155 PolarHBondContact O-N 3.41Å | ||
| 156 | H | 92.4 | Very high | 90.8 | Very high | 4 Ų | 4 | 29.1 Ų | 29.1 | 2% | 0.019 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 170 | -174.5 | 59.1 | 67.5 | 0 | 0 | 0 | 113.7 | V126 L127 I154 E349 Y379 D381 | V126-H156 HydrophobicContact CG1-CB 3.59Å; L127-H156 CarbonylContact O-C 3.57Å; L127-H156 WeakPolarHBondContact O-CA 3.22Å; L127-H156 VanDerWaalsContact O-CB 3.24Å; L127-H156 WeakPolarHBondContact O-CB 3.41Å; I154-H156 WeakPolarHBondContact CG2-O 3.43Å; H156-E349 IonicContact NE2-OE1 2.68Å; H156-E349 PolarHBondContact NE2-OE1 3.19Å; H156-Y379 HydrophobicContact CB-CD2 4.47Å; H156-Y379 AromaticContact CD2-CD1 3.46Å; H156-Y379 VanDerWaalsContact CD2-CD1 3.46Å; H156-Y379 WeakPolarHBondContact CD2-CD1 3.41Å; H156-Y379 AromaticContact CD2-CG 3.65Å; H156-Y379 AromaticContact NE2-CD1 3.94Å; H156-D381 IonicContact CE1-OD2 3.82Å; H156-D381 IonicContact CG-OD2 2.61Å; H156-D381 IonicContact ND1-OD2 3.84Å; H156-D381 PolarHBondContact ND1-OD2 3.48Å |
| 157 | I | 94.7 | Very high | 91.1 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 142.3 | 179.1 | -167.1 | 169.7 | 0 | 0 | 0 | 112.1 | L127 L129 F149 T161 L162 I165 D381 | L127-I157 PolarHBondContact N-O 2.98Å; L127-I157 PolarHBondContact O-N 3.3Å; L129-I157 HydrophobicContact CD1-CB 4.24Å; L129-I157 HydrophobicContact CD1-CG2 3.84Å; L129-I157 HydrophobicContact CD2-CG2 3.95Å; L129-I157 HydrophobicContact CG-CG2 4.11Å; F149-I157 HydrophobicContact CD2-CD1 3.97Å; F149-I157 HydrophobicContact CE2-CD1 4.06Å; I157-T161 HydrophobicContact CD1-CG2 4.25Å; I157-T161 HydrophobicContact CG1-CG2 4.39Å; I157-L162 HydrophobicContact CD1-CB 4.03Å; I157-L162 HydrophobicContact CG1-CB 4.43Å; I157-L162 HydrophobicContact CG2-CB 3.95Å; I157-L162 HydrophobicContact CG2-CD2 4.32Å; I157-I165 HydrophobicContact CD1-CD1 3.7Å; I157-D381 VanDerWaalsContact CA-OD2 3.26Å; I157-D381 WeakPolarHBondContact CA-OD2 3.39Å |
| 158 | S | 94.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59 | 140 | 167.9 | 83.7 | 0 | 0 | 0 | 0 | 112.1 | N124 R160 T161 L162 D381 E382 | N124-S158 WeakPolarHBondContact O-CB 3.5Å; S158-R160 VanDerWaalsContact C-N 3.28Å; S158-R160 PolarHBondContact O-N 3.08Å; S158-R160 WeakPolarHBondContact OG-CG 3.31Å; S158-T161 PolarHBondContact O-N 3.4Å; S158-T161 VanDerWaalsContact O-N 3.1Å; S158-T161 VanDerWaalsContact OG-CB 3.26Å; S158-T161 WeakPolarHBondContact OG-CB 3.23Å; S158-T161 PolarHBondContact OG-N 2.8Å; S158-T161 PolarHBondContact OG-OG1 3.42Å; S158-L162 PolarHBondContact O-N 3.13Å; S158-L162 VanDerWaalsContact O-N 3.08Å; S158-D381 PolarHBondContact N-OD1 2.96Å; S158-D381 PolarHBondContact N-OD2 2.96Å; S158-E382 PolarHBondContact OG-OE2 3.2Å |
| 159 | I | 95.5 | Very high | 92 | Very high | 21 Ų | 21 | 19.9 Ų | 19.9 | 11% | 0.108 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56 | -44.2 | -178.6 | -68.1 | 161.5 | 0 | 0 | 0 | 111.1 | R123 N125 L127 T161 L162 Q163 | R123-I159 HydrophobicContact CB-CB 3.97Å; R123-I159 HydrophobicContact CB-CD1 4.14Å; R123-I159 HydrophobicContact CB-CG2 4Å; N125-I159 HydrophobicContact CB-CD1 4.02Å; N125-I159 VanDerWaalsContact O-CG1 3.23Å; N125-I159 WeakPolarHBondContact O-CG1 3.29Å; N125-I159 PolarHBondContact O-N 2.82Å; L127-I159 HydrophobicContact CD1-CG1 3.81Å; L127-I159 HydrophobicContact CD2-CD1 4.25Å; L127-I159 HydrophobicContact CD2-CG1 3.87Å; L127-I159 HydrophobicContact CG-CD1 4.47Å; L127-I159 HydrophobicContact CG-CG1 3.58Å; I159-T161 VanDerWaalsContact C-N 3.32Å; I159-T161 PolarHBondContact O-N 3.05Å; I159-L162 PolarHBondContact O-N 2.63Å; I159-Q163 HydrophobicContact CG2-CG 4.42Å; I159-Q163 WeakPolarHBondContact O-CG 2.95Å; I159-Q163 PolarHBondContact O-N 3.48Å |
| 160 | R | 95.1 | Very high | 92.4 | Very high | 75 Ų | 75 | 19.6 Ų | 19.6 | 28% | 0.283 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -57.1 | -41 | 177.7 | 56.5 | 180 | -70.5 | 164.7 | 0.5 | 112.8 | F121 R123 N124 S158 Q163 C164 | F121-R160 HydrophobicContact CB-CB 4.42Å; R123-R160 WeakPolarHBondContact O-CB 3.23Å; R123-R160 WeakPolarHBondContact O-CG 3.37Å; R123-R160 PolarHBondContact O-N 3.18Å; N124-R160 VanDerWaalsContact OD1-CD 3.28Å; N124-R160 WeakPolarHBondContact OD1-CD 3.4Å; N124-R160 PolarHBondContact OD1-NH1 2.84Å; S158-R160 VanDerWaalsContact C-N 3.28Å; S158-R160 PolarHBondContact O-N 3.08Å; S158-R160 WeakPolarHBondContact OG-CG 3.31Å; R160-Q163 PolarHBondContact O-N 3.12Å; R160-C164 PolarHBondContact O-N 3.01Å; R160-C164 PolarHBondContact O-SG 2.72Å; R160-C164 VanDerWaalsContact O-SG 3.37Å |
| 161 | T | 95.4 | Very high | 93 | Very high | 14 Ų | 14 | 18.6 Ų | 18.6 | 9% | 0.086 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -80.9 | -32.5 | -174.4 | -68.1 | 0 | 0 | 0 | 0 | 111.5 | F146 I157 S158 I159 Q163 C164 I165 E382 | F146-T161 HydrophobicContact CB-CG2 4.4Å; F146-T161 HydrophobicContact CD1-CG2 4.01Å; F146-T161 HydrophobicContact CD2-CG2 3.66Å; F146-T161 HydrophobicContact CE1-CG2 4.11Å; F146-T161 HydrophobicContact CE2-CG2 3.76Å; F146-T161 HydrophobicContact CG-CG2 3.79Å; F146-T161 HydrophobicContact CZ-CG2 3.98Å; I157-T161 HydrophobicContact CD1-CG2 4.25Å; I157-T161 HydrophobicContact CG1-CG2 4.39Å; S158-T161 PolarHBondContact O-N 3.4Å; S158-T161 VanDerWaalsContact O-N 3.1Å; S158-T161 VanDerWaalsContact OG-CB 3.26Å; S158-T161 WeakPolarHBondContact OG-CB 3.23Å; S158-T161 PolarHBondContact OG-N 2.8Å; S158-T161 PolarHBondContact OG-OG1 3.42Å; I159-T161 VanDerWaalsContact C-N 3.32Å; I159-T161 PolarHBondContact O-N 3.05Å; T161-Q163 VanDerWaalsContact C-N 3.34Å; T161-Q163 PolarHBondContact O-N 2.89Å; T161-C164 PolarHBondContact O-N 2.88Å; T161-I165 HydrophobicContact CG2-CD1 4.41Å; T161-I165 VanDerWaalsContact O-CG1 3.31Å; T161-I165 WeakPolarHBondContact O-CG1 3.44Å; T161-I165 PolarHBondContact O-N 2.72Å; T161-E382 WeakPolarHBondContact CB-OE2 3.31Å; T161-E382 PolarHBondContact OG1-OE1 2.83Å; T161-E382 PolarHBondContact OG1-OE2 2.99Å |
| 162 | L | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -59.9 | -43.3 | 164.4 | -177.5 | 59.3 | 0 | 0 | 0 | 111.9 | P96 L127 L137 I157 S158 I159 I165 L166 F502 | P96-L162 HydrophobicContact CB-CD2 3.87Å; P96-L162 HydrophobicContact CB-CG 4.24Å; P96-L162 HydrophobicContact CG-CD2 4.04Å; P96-L162 HydrophobicContact CG-CG 4.37Å; L127-L162 HydrophobicContact CD1-CD2 3.87Å; L137-L162 HydrophobicContact CD1-CD1 3.72Å; L137-L162 HydrophobicContact CD2-CD1 3.84Å; L137-L162 HydrophobicContact CG-CD1 4.47Å; I157-L162 HydrophobicContact CD1-CB 4.03Å; I157-L162 HydrophobicContact CG1-CB 4.43Å; I157-L162 HydrophobicContact CG2-CB 3.95Å; I157-L162 HydrophobicContact CG2-CD2 4.32Å; S158-L162 PolarHBondContact O-N 3.13Å; S158-L162 VanDerWaalsContact O-N 3.08Å; I159-L162 PolarHBondContact O-N 2.63Å; L162-I165 PolarHBondContact O-N 2.85Å; L162-L166 HydrophobicContact CD1-CD1 3.98Å; L162-L166 HydrophobicContact CD1-CG 4.25Å; L162-L166 HydrophobicContact CG-CD1 3.96Å; L162-L166 WeakPolarHBondContact O-CG 3.5Å; L162-L166 PolarHBondContact O-N 2.96Å; L162-L166 VanDerWaalsContact O-N 3.07Å; L162-F502 HydrophobicContact CD1-CZ 4.5Å |
| 163 | Q | 97.5 | Very high | 94.2 | Very high | 8 Ų | 8 | 13.6 Ų | 13.6 | 4% | 0.037 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -62.9 | -41.6 | 175.6 | -72 | -173.9 | -99.8 | 0 | 0 | 111.9 | C94 P96 M99 F121 I159 R160 T161 L166 L167 | C94-Q163 PolarHBondContact O-NE2 3.25Å; P96-Q163 HydrophobicContact CG-CG 3.85Å; M99-Q163 HydrophobicContact CE-CB 3.88Å; M99-Q163 HydrophobicContact CE-CG 3.96Å; M99-Q163 WeakPolarHBondContact CE-O 3.38Å; F121-Q163 HydrophobicContact CB-CB 4.43Å; F121-Q163 HydrophobicContact CD1-CB 3.99Å; F121-Q163 HydrophobicContact CD1-CG 4.43Å; F121-Q163 VanDerWaalsContact CD1-NE2 3.27Å; F121-Q163 HydrophobicContact CD2-CB 3.54Å; F121-Q163 HydrophobicContact CE1-CB 4Å; F121-Q163 HydrophobicContact CE1-CG 4.44Å; F121-Q163 VanDerWaalsContact CE1-NE2 3.26Å; F121-Q163 VanDerWaalsContact CE2-C 3.44Å; F121-Q163 HydrophobicContact CE2-CB 3.56Å; F121-Q163 WeakPolarHBondContact CE2-O 3.27Å; F121-Q163 HydrophobicContact CG-CB 3.75Å; F121-Q163 HydrophobicContact CZ-CB 3.78Å; I159-Q163 HydrophobicContact CG2-CG 4.42Å; I159-Q163 WeakPolarHBondContact O-CG 2.95Å; I159-Q163 PolarHBondContact O-N 3.48Å; R160-Q163 PolarHBondContact O-N 3.12Å; T161-Q163 VanDerWaalsContact C-N 3.34Å; T161-Q163 PolarHBondContact O-N 2.89Å; Q163-L166 PolarHBondContact O-N 2.7Å; Q163-L167 VanDerWaalsContact O-CB 3.32Å; Q163-L167 WeakPolarHBondContact O-CB 3.12Å; Q163-L167 PolarHBondContact O-N 2.89Å |
| 164 | C | 97.4 | Very high | 95 | Very high | 8 Ų | 8 | 11.4 Ų | 11.4 | 5% | 0.054 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -63 | -39.4 | 175.3 | -73.6 | 0 | 0 | 0 | 0 | 113.5 | T21 I26 R160 T161 K168 | T21-C164 PolarHBondContact O-SG 3.31Å; T21-C164 VanDerWaalsContact O-SG 3.39Å; I26-C164 HydrophobicContact CD1-CB 3.72Å; R160-C164 PolarHBondContact O-N 3.01Å; R160-C164 PolarHBondContact O-SG 2.72Å; R160-C164 VanDerWaalsContact O-SG 3.37Å; T161-C164 PolarHBondContact O-N 2.88Å; C164-K168 WeakPolarHBondContact O-CG 3.49Å; C164-K168 PolarHBondContact O-N 2.62Å |
| 165 | I | 97.6 | Very high | 95.5 | Very high | 3 Ų | 3 | 9.2 Ų | 9.2 | 2% | 0.015 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -63.8 | -51.8 | 176.1 | -69.5 | 163.4 | 0 | 0 | 0 | 110.3 | A142 F145 F146 F149 I157 T161 L162 L167 K168 V169 | A142-I165 HydrophobicContact CB-CD1 4.24Å; A142-I165 HydrophobicContact CB-CG2 3.9Å; F145-I165 HydrophobicContact CB-CG1 4.23Å; F145-I165 HydrophobicContact CD2-CG2 4.3Å; F146-I165 HydrophobicContact CB-CD1 3.87Å; F146-I165 HydrophobicContact CB-CG1 4.24Å; F149-I165 HydrophobicContact CD2-CD1 4.44Å; I157-I165 HydrophobicContact CD1-CD1 3.7Å; T161-I165 HydrophobicContact CG2-CD1 4.41Å; T161-I165 VanDerWaalsContact O-CG1 3.31Å; T161-I165 WeakPolarHBondContact O-CG1 3.44Å; T161-I165 PolarHBondContact O-N 2.72Å; L162-I165 PolarHBondContact O-N 2.85Å; I165-L167 VanDerWaalsContact C-N 3.33Å; I165-L167 PolarHBondContact O-N 2.73Å; I165-K168 PolarHBondContact O-N 2.82Å; I165-V169 WeakPolarHBondContact O-CG2 3.31Å; I165-V169 PolarHBondContact O-N 2.84Å |
| 166 | L | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 10.2 Ų | 10.2 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -66.3 | -33.7 | -177.1 | -68.5 | 168.1 | 0 | 0 | 0 | 112.6 | P96 M99 I103 L137 L162 Q163 V169 A170 F502 | P96-L166 HydrophobicContact CB-CD1 3.83Å; M99-L166 HydrophobicContact CB-CB 3.89Å; M99-L166 HydrophobicContact CE-CB 3.92Å; M99-L166 HydrophobicContact SD-CB 4Å; I103-L166 HydrophobicContact CD1-CD2 4.07Å; L137-L166 HydrophobicContact CD2-CD2 4.06Å; L162-L166 HydrophobicContact CD1-CD1 3.98Å; L162-L166 HydrophobicContact CD1-CG 4.25Å; L162-L166 HydrophobicContact CG-CD1 3.96Å; L162-L166 WeakPolarHBondContact O-CG 3.5Å; L162-L166 PolarHBondContact O-N 2.96Å; L162-L166 VanDerWaalsContact O-N 3.07Å; Q163-L166 PolarHBondContact O-N 2.7Å; L166-V169 PolarHBondContact O-N 3.08Å; L166-A170 VanDerWaalsContact O-CB 3.32Å; L166-A170 WeakPolarHBondContact O-CB 3.45Å; L166-A170 PolarHBondContact O-N 3.12Å; L166-F502 HydrophobicContact CD1-CE1 4.42Å; L166-F502 HydrophobicContact CD1-CZ 4Å; L166-F502 HydrophobicContact CD2-CZ 4.45Å |
| 167 | L | 98 | Very high | 95.8 | Very high | 0 Ų | 0 | 10.1 Ų | 10.1 | 0% | 0 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -61.5 | -45.4 | 174.6 | 179.2 | 61.4 | 0 | 0 | 0 | 111.3 | F23 I26 M99 F121 Q163 I165 V169 A170 L171 V177 | F23-L167 HydrophobicContact CD2-CD2 3.7Å; F23-L167 HydrophobicContact CE2-CD1 4.5Å; F23-L167 HydrophobicContact CE2-CD2 4Å; F23-L167 HydrophobicContact CG-CD2 4.4Å; I26-L167 HydrophobicContact CB-CD2 4.07Å; I26-L167 HydrophobicContact CD1-CD2 4.33Å; I26-L167 HydrophobicContact CG2-CD2 3.76Å; I26-L167 HydrophobicContact CG2-CG 3.89Å; M99-L167 HydrophobicContact SD-CB 3.88Å; M99-L167 HydrophobicContact SD-CD1 4.49Å; M99-L167 PolarHBondContact SD-N 2.98Å; M99-L167 VanDerWaalsContact SD-N 3.44Å; F121-L167 HydrophobicContact CE2-CB 4Å; F121-L167 HydrophobicContact CE2-CD2 3.74Å; F121-L167 HydrophobicContact CE2-CG 4.47Å; F121-L167 HydrophobicContact CZ-CB 4.28Å; F121-L167 HydrophobicContact CZ-CD2 4.07Å; Q163-L167 VanDerWaalsContact O-CB 3.32Å; Q163-L167 WeakPolarHBondContact O-CB 3.12Å; Q163-L167 PolarHBondContact O-N 2.89Å; I165-L167 VanDerWaalsContact C-N 3.33Å; I165-L167 PolarHBondContact O-N 2.73Å; L167-V169 VanDerWaalsContact C-N 3.35Å; L167-V169 PolarHBondContact O-N 2.88Å; L167-A170 PolarHBondContact O-N 3.11Å; L167-L171 HydrophobicContact CD1-CD1 3.95Å; L167-L171 HydrophobicContact CD1-CG 4.1Å; L167-L171 HydrophobicContact CG-CD1 3.88Å; L167-L171 HydrophobicContact CG-CG 4.46Å; L167-L171 WeakPolarHBondContact O-CB 3.47Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.36Å; L167-L171 PolarHBondContact O-N 2.85Å; L167-V177 HydrophobicContact CD1-CG1 4.37Å; L167-V177 HydrophobicContact CD1-CG2 4.05Å |
| 168 | K | 97.9 | Very high | 95.8 | Very high | 6 Ų | 6 | 12.3 Ų | 12.3 | 3% | 0.026 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -60.5 | -44 | 177 | -68.6 | 172 | -173.1 | 174.9 | 0 | 111.5 | F17 C18 A20 I26 F145 C164 I165 L172 | F17-K168 HydrophobicContact CE1-CB 4.23Å; F17-K168 HydrophobicContact CE1-CG 4.42Å; F17-K168 HydrophobicContact CE2-CB 4.19Å; F17-K168 HydrophobicContact CE2-CG 3.9Å; F17-K168 HydrophobicContact CZ-CB 3.63Å; F17-K168 HydrophobicContact CZ-CG 3.81Å; F17-K168 WeakPolarHBondContact O-CE 3.33Å; C18-K168 PolarHBondContact O-NZ 3.18Å; A20-K168 VanDerWaalsContact O-CE 3.24Å; A20-K168 WeakPolarHBondContact O-CE 3.4Å; A20-K168 PolarHBondContact O-NZ 2.76Å; I26-K168 HydrophobicContact CD1-CG 4.44Å; I26-K168 HydrophobicContact CG1-CG 4.47Å; I26-K168 HydrophobicContact CG2-CG 3.75Å; F145-K168 HydrophobicContact CB-CD 4.08Å; F145-K168 HydrophobicContact CD1-CB 4.06Å; F145-K168 HydrophobicContact CD1-CD 3.46Å; F145-K168 VanDerWaalsContact CD1-CD 3.46Å; F145-K168 HydrophobicContact CD1-CG 4.35Å; F145-K168 HydrophobicContact CE1-CB 3.83Å; F145-K168 HydrophobicContact CE1-CD 4Å; F145-K168 HydrophobicContact CE1-CG 4.46Å; F145-K168 HydrophobicContact CE2-CB 4.4Å; F145-K168 HydrophobicContact CG-CB 4.41Å; F145-K168 HydrophobicContact CG-CD 3.88Å; F145-K168 HydrophobicContact CZ-CB 3.99Å; C164-K168 WeakPolarHBondContact O-CG 3.49Å; C164-K168 PolarHBondContact O-N 2.62Å; I165-K168 PolarHBondContact O-N 2.82Å; K168-L172 WeakPolarHBondContact O-CG 3.48Å; K168-L172 PolarHBondContact O-N 2.73Å; K168-L172 VanDerWaalsContact O-N 3.09Å |
| 169 | V | 97.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 14.4 Ų | 14.4 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.4 | -43.9 | 177.6 | 179.2 | 0 | 0 | 0 | 0 | 111.9 | I103 L140 F145 I165 L166 L167 L172 F173 | I103-V169 HydrophobicContact CD1-CB 3.94Å; I103-V169 HydrophobicContact CD1-CG1 3.64Å; I103-V169 HydrophobicContact CG1-CG1 4.07Å; I103-V169 HydrophobicContact CG2-CG1 4.31Å; L140-V169 HydrophobicContact CB-CG1 4.42Å; L140-V169 HydrophobicContact CB-CG2 4.37Å; L140-V169 HydrophobicContact CD2-CG1 4.17Å; L140-V169 VanDerWaalsContact O-CG2 3.3Å; L140-V169 WeakPolarHBondContact O-CG2 3.49Å; F145-V169 HydrophobicContact CD2-CG2 4.34Å; F145-V169 HydrophobicContact CE2-CG2 3.61Å; F145-V169 HydrophobicContact CZ-CG2 4.35Å; I165-V169 WeakPolarHBondContact O-CG2 3.31Å; I165-V169 PolarHBondContact O-N 2.84Å; L166-V169 PolarHBondContact O-N 3.08Å; L167-V169 VanDerWaalsContact C-N 3.35Å; L167-V169 PolarHBondContact O-N 2.88Å; V169-L172 PolarHBondContact O-N 3.03Å; V169-F173 HydrophobicContact CG1-CD2 3.88Å; V169-F173 HydrophobicContact CG1-CE2 3.61Å; V169-F173 VanDerWaalsContact O-CD2 3.26Å; V169-F173 WeakPolarHBondContact O-CD2 3.38Å; V169-F173 PolarHBondContact O-N 3.06Å |
| 170 | A | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -63.5 | -42.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | I103 L166 L167 F173 G174 V175 | I103-A170 HydrophobicContact CD1-CB 4.38Å; I103-A170 HydrophobicContact CG1-CB 4Å; L166-A170 VanDerWaalsContact O-CB 3.32Å; L166-A170 WeakPolarHBondContact O-CB 3.45Å; L166-A170 PolarHBondContact O-N 3.12Å; L167-A170 PolarHBondContact O-N 3.11Å; A170-F173 CarbonylContact O-C 3.53Å; A170-F173 PolarHBondContact O-N 2.84Å; A170-G174 PolarHBondContact O-N 3.07Å; A170-V175 HydrophobicContact CB-CB 4.04Å; A170-V175 HydrophobicContact CB-CG1 4.48Å; A170-V175 HydrophobicContact CB-CG2 4.11Å; A170-V175 VanDerWaalsContact O-CB 3.28Å; A170-V175 WeakPolarHBondContact O-CB 3.44Å; A170-V175 WeakPolarHBondContact O-CG2 3.34Å; A170-V175 PolarHBondContact O-N 3.5Å |
| 171 | L | 95.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 10.6 Ų | 10.6 | 2% | 0.016 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.9 | -43.2 | 176.1 | -69.9 | 167.9 | 0 | 0 | 0 | 111.8 | F17 I26 L27 F30 L167 F173 G174 V177 | F17-L171 HydrophobicContact CE2-CD1 4.37Å; I26-L171 HydrophobicContact CG2-CD1 3.85Å; L27-L171 HydrophobicContact CD2-CD1 3.97Å; L27-L171 HydrophobicContact CD2-CD2 3.87Å; F30-L171 HydrophobicContact CB-CD1 4.06Å; F30-L171 HydrophobicContact CD1-CB 3.98Å; F30-L171 HydrophobicContact CD1-CD1 4.3Å; F30-L171 HydrophobicContact CD1-CD2 3.9Å; F30-L171 HydrophobicContact CD1-CG 4.27Å; F30-L171 HydrophobicContact CD2-CB 3.83Å; F30-L171 HydrophobicContact CE1-CB 3.96Å; F30-L171 HydrophobicContact CE1-CD2 4.1Å; F30-L171 HydrophobicContact CE2-CB 3.82Å; F30-L171 HydrophobicContact CG-CB 3.91Å; F30-L171 HydrophobicContact CG-CD1 4.04Å; F30-L171 HydrophobicContact CG-CD2 4.45Å; F30-L171 HydrophobicContact CG-CG 4.36Å; F30-L171 HydrophobicContact CZ-CB 3.89Å; F30-L171 WeakPolarHBondContact CZ-O 3.07Å; L167-L171 HydrophobicContact CD1-CD1 3.95Å; L167-L171 HydrophobicContact CD1-CG 4.1Å; L167-L171 HydrophobicContact CG-CD1 3.88Å; L167-L171 HydrophobicContact CG-CG 4.46Å; L167-L171 WeakPolarHBondContact O-CB 3.47Å; L167-L171 VanDerWaalsContact O-CG 3.23Å; L167-L171 WeakPolarHBondContact O-CG 3.36Å; L167-L171 PolarHBondContact O-N 2.85Å; L171-F173 PolarHBondContact O-N 3.21Å; L171-G174 WeakPolarHBondContact O-CA 3.29Å; L171-G174 PolarHBondContact O-N 3Å; L171-V177 HydrophobicContact CD2-CG2 4.32Å |
| 172 | L | 95.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -60 | -31.6 | 175.7 | -74 | 171.6 | 0 | 0 | 0 | 113.2 | F17 F30 F49 L52 L65 F66 L69 F145 K168 V169 G174 | F17-L172 HydrophobicContact CE1-CD1 4.15Å; F17-L172 HydrophobicContact CE1-CD2 4.11Å; F17-L172 HydrophobicContact CE1-CG 4.06Å; F17-L172 HydrophobicContact CZ-CD2 4.45Å; F17-L172 HydrophobicContact CZ-CG 4.12Å; F30-L172 HydrophobicContact CE2-CD2 4.44Å; F49-L172 VanDerWaalsContact CA-O 3.24Å; F49-L172 WeakPolarHBondContact CA-O 3.3Å; F49-L172 VanDerWaalsContact CB-O 3.27Å; F49-L172 WeakPolarHBondContact CB-O 3.3Å; F49-L172 PolarHBondContact N-O 2.97Å; L52-L172 HydrophobicContact CD1-CD2 3.93Å; L65-L172 HydrophobicContact CD2-CD1 3.89Å; F66-L172 HydrophobicContact CE1-CD2 4.38Å; F66-L172 HydrophobicContact CZ-CD2 4.03Å; L69-L172 HydrophobicContact CD1-CD1 4.04Å; F145-L172 HydrophobicContact CE1-CD1 4.5Å; F145-L172 HydrophobicContact CZ-CD1 3.89Å; K168-L172 WeakPolarHBondContact O-CG 3.48Å; K168-L172 PolarHBondContact O-N 2.73Å; K168-L172 VanDerWaalsContact O-N 3.09Å; V169-L172 PolarHBondContact O-N 3.03Å; L172-G174 VanDerWaalsContact C-N 3.29Å |
| 173 | F | 94.5 | Very high | 95.5 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.009 | 7% | 0.071 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.3 | 8.6 | 172.3 | -65.9 | -54.9 | 0 | 0 | 0 | 114.1 | F49 L69 V73 I103 A106 L107 V169 A170 L171 | F49-F173 HydrophobicContact CB-CD1 4.13Å; F49-F173 AromaticContact CD2-CD1 3.64Å; F49-F173 HydrophobicContact CD2-CD1 3.64Å; F49-F173 AromaticContact CD2-CE1 3.5Å; F49-F173 HydrophobicContact CD2-CE1 3.5Å; F49-F173 HydrophobicContact CD2-CZ 4.49Å; F49-F173 HydrophobicContact CE2-CD1 4.28Å; F49-F173 AromaticContact CE2-CE1 3.66Å; F49-F173 HydrophobicContact CE2-CE1 3.66Å; F49-F173 HydrophobicContact CE2-CZ 4.37Å; F49-F173 AromaticContact CG-CD1 3.94Å; F49-F173 HydrophobicContact CG-CD1 3.94Å; F49-F173 HydrophobicContact CG-CE1 4.01Å; F49-F173 HydrophobicContact CZ-CE1 4.29Å; L69-F173 HydrophobicContact CB-CE1 4.43Å; L69-F173 HydrophobicContact CB-CZ 4.01Å; L69-F173 HydrophobicContact CD1-CZ 4.48Å; L69-F173 HydrophobicContact CD2-CE2 4.3Å; L69-F173 HydrophobicContact CD2-CZ 4.01Å; L69-F173 HydrophobicContact CG-CZ 4.38Å; V73-F173 HydrophobicContact CG2-CE1 3.67Å; V73-F173 HydrophobicContact CG2-CZ 4.38Å; I103-F173 HydrophobicContact CG2-CD2 3.94Å; I103-F173 HydrophobicContact CG2-CE2 3.96Å; A106-F173 HydrophobicContact CB-CB 4.11Å; L107-F173 HydrophobicContact CD1-CE2 4.45Å; L107-F173 HydrophobicContact CD2-CD1 4.11Å; L107-F173 HydrophobicContact CD2-CE1 3.73Å; L107-F173 HydrophobicContact CD2-CE2 4.4Å; L107-F173 HydrophobicContact CD2-CZ 3.88Å; L107-F173 HydrophobicContact CG-CE2 4.49Å; L107-F173 HydrophobicContact CG-CZ 4.45Å; V169-F173 HydrophobicContact CG1-CD2 3.88Å; V169-F173 HydrophobicContact CG1-CE2 3.61Å; V169-F173 VanDerWaalsContact O-CD2 3.26Å; V169-F173 WeakPolarHBondContact O-CD2 3.38Å; V169-F173 PolarHBondContact O-N 3.06Å; A170-F173 CarbonylContact O-C 3.53Å; A170-F173 PolarHBondContact O-N 2.84Å; L171-F173 PolarHBondContact O-N 3.21Å |
| 174 | G | 91.7 | Very high | 95.2 | Very high | 4 Ų | 4 | 16 Ų | 16 | 4% | 0.041 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 19.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | S45 A170 L171 L172 Q176 | S45-G174 WeakPolarHBondContact CB-O 3.16Å; S45-G174 PolarHBondContact OG-O 3.48Å; A170-G174 PolarHBondContact O-N 3.07Å; L171-G174 WeakPolarHBondContact O-CA 3.29Å; L171-G174 PolarHBondContact O-N 3Å; L172-G174 VanDerWaalsContact C-N 3.29Å; G174-Q176 PolarHBondContact O-N 2.98Å |
| 175 | V | 94.8 | Very high | 95 | Very high | 3 Ų | 3 | 17.8 Ų | 17.8 | 2% | 0.018 | 10% | 0.103 | C | C | . | . | trans | -67.6 | 126.2 | 173.5 | 179 | 0 | 0 | 0 | 0 | 109.6 | A102 A106 V112 I114 A170 V177 | A102-V175 HydrophobicContact CB-CG1 4.03Å; A102-V175 HydrophobicContact CB-CG2 4.23Å; A106-V175 HydrophobicContact CB-CG2 3.88Å; V112-V175 HydrophobicContact CB-CG1 4.29Å; V112-V175 HydrophobicContact CB-CG2 4.38Å; V112-V175 HydrophobicContact CG1-CG1 4.14Å; I114-V175 HydrophobicContact CD1-CG1 3.73Å; I114-V175 HydrophobicContact CG1-CG1 3.66Å; A170-V175 HydrophobicContact CB-CB 4.04Å; A170-V175 HydrophobicContact CB-CG1 4.48Å; A170-V175 HydrophobicContact CB-CG2 4.11Å; A170-V175 VanDerWaalsContact O-CB 3.28Å; A170-V175 WeakPolarHBondContact O-CB 3.44Å; A170-V175 WeakPolarHBondContact O-CG2 3.34Å; A170-V175 PolarHBondContact O-N 3.5Å; V175-V177 HydrophobicContact CG1-CG2 4.36Å | ||
| 176 | Q | 92.6 | Very high | 94.8 | Very high | 61 Ų | 61 | 19.6 Ų | 19.6 | 29% | 0.285 | 11% | 0.113 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 120.9 | -177 | -58.4 | -177.7 | -24.1 | 0 | 0 | 109.8 | R111 V112 I113 I114 G174 F178 | R111-Q176 VanDerWaalsContact NH2-OE1 3.17Å; V112-Q176 PolarHBondContact O-N 2.8Å; I113-Q176 CarbonylContact C-O 3.57Å; I113-Q176 WeakPolarHBondContact CA-O 3.11Å; I113-Q176 HydrophobicContact CG1-CB 4.27Å; I114-Q176 PolarHBondContact N-O 3.05Å; G174-Q176 PolarHBondContact O-N 2.98Å; Q176-F178 HydrophobicContact CB-CE2 3.95Å |
| 177 | V | 94.7 | Very high | 94.5 | Very high | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.018 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 125.6 | -173.2 | -174.7 | 0 | 0 | 0 | 0 | 111.4 | F23 I114 L167 L171 V175 | F23-V177 HydrophobicContact CE2-CG1 4.27Å; F23-V177 HydrophobicContact CZ-CG1 4.05Å; I114-V177 HydrophobicContact CB-CG1 4.48Å; I114-V177 HydrophobicContact CB-CG2 4.35Å; I114-V177 HydrophobicContact CD1-CG2 4.28Å; L167-V177 HydrophobicContact CD1-CG1 4.37Å; L167-V177 HydrophobicContact CD1-CG2 4.05Å; L171-V177 HydrophobicContact CD2-CG2 4.32Å; V175-V177 HydrophobicContact CG1-CG2 4.36Å |
| 178 | F | 94.4 | Very high | 94.1 | Very high | 47 Ų | 47 | 27.6 Ų | 27.6 | 21% | 0.206 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 108.2 | -178.1 | -64.8 | -95.9 | 0 | 0 | 0 | 112.2 | I113 I114 I115 D116 Q176 I181 L296 L299 | I113-F178 HydrophobicContact CD1-CE2 4.5Å; I113-F178 HydrophobicContact CG2-CD2 3.63Å; I113-F178 HydrophobicContact CG2-CE2 3.72Å; I114-F178 PolarHBondContact O-N 3.1Å; I115-F178 HydrophobicContact CG2-CB 4.31Å; D116-F178 PolarHBondContact N-O 3.06Å; Q176-F178 HydrophobicContact CB-CE2 3.95Å; F178-I181 HydrophobicContact CB-CD1 3.57Å; F178-I181 HydrophobicContact CB-CG1 4.35Å; F178-I181 HydrophobicContact CD1-CD1 4.49Å; F178-I181 HydrophobicContact CG-CD1 4.3Å; F178-L296 HydrophobicContact CD1-CD1 4.17Å; F178-L299 HydrophobicContact CB-CD1 4.42Å; F178-L299 HydrophobicContact CD1-CD1 4.34Å; F178-L299 HydrophobicContact CD2-CD1 4.24Å; F178-L299 HydrophobicContact CD2-CD2 4.31Å; F178-L299 HydrophobicContact CE2-CD2 3.94Å; F178-L299 HydrophobicContact CG-CD1 4.09Å; F178-L299 HydrophobicContact CZ-CD2 4.08Å |
| 179 | P | 93.9 | Very high | 93.5 | Very high | 44 Ų | 44 | 27.5 Ų | 27.5 | 29% | 0.286 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 162 | 177.4 | 33.4 | -37.3 | 0 | 0 | 0 | 113.7 | F23 D116 R118 I181 | F23-P179 HydrophobicContact CE1-CB 3.57Å; F23-P179 HydrophobicContact CE1-CG 3.82Å; F23-P179 HydrophobicContact CZ-CB 3.85Å; F23-P179 HydrophobicContact CZ-CG 4.28Å; D116-P179 CarbonylContact O-C 3.57Å; R118-P179 WeakPolarHBondContact O-CB 3.38Å; P179-I181 PolarHBondContact O-N 2.95Å |
| 180 | G | 93.4 | Very high | 92.5 | Very high | 12 Ų | 12 | 28.8 Ų | 28.8 | 12% | 0.124 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.7 | -0.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | D116 R118 H119 P294 | D116-G180 CarbonylContact O-C 3.53Å; D116-G180 WeakPolarHBondContact O-CA 3.39Å; D116-G180 PolarHBondContact O-N 3.01Å; R118-G180 PolarHBondContact O-N 2.77Å; H119-G180 VanDerWaalsContact CE1-CA 3.47Å; H119-G180 WeakPolarHBondContact CE1-CA 3.5Å; H119-G180 VanDerWaalsContact NE2-CA 3.29Å; H119-G180 WeakPolarHBondContact NE2-CA 3.43Å; G180-P294 WeakPolarHBondContact O-CD 3.24Å |
| 181 | I | 93.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.021 | 17% | 0.166 | C | C | . | . | P | Polyproline II helix | trans | -96.7 | 121.2 | -174.1 | -52.9 | -173 | 0 | 0 | 0 | 110.8 | I115 D116 K117 F178 P179 L292 L296 L299 | I115-I181 HydrophobicContact CB-CB 4.22Å; I115-I181 HydrophobicContact CB-CG2 4.33Å; I115-I181 HydrophobicContact CG2-CB 4.32Å; I115-I181 HydrophobicContact CG2-CD1 4.28Å; I115-I181 HydrophobicContact CG2-CG2 4.22Å; D116-I181 CarbonylContact C-O 3.58Å; D116-I181 PolarHBondContact O-N 2.91Å; K117-I181 PolarHBondContact N-O 2.94Å; F178-I181 HydrophobicContact CB-CD1 3.57Å; F178-I181 HydrophobicContact CB-CG1 4.35Å; F178-I181 HydrophobicContact CD1-CD1 4.49Å; F178-I181 HydrophobicContact CG-CD1 4.3Å; P179-I181 PolarHBondContact O-N 2.95Å; I181-L292 HydrophobicContact CG2-CB 3.87Å; I181-L292 HydrophobicContact CG2-CD1 4.11Å; I181-L292 HydrophobicContact CG2-CD2 4Å; I181-L292 HydrophobicContact CG2-CG 4.2Å; I181-L296 HydrophobicContact CD1-CB 4.28Å; I181-L296 HydrophobicContact CD1-CD1 3.52Å; I181-L296 HydrophobicContact CD1-CG 3.67Å; I181-L296 HydrophobicContact CG1-CD1 4.35Å; I181-L296 HydrophobicContact CG1-CG 4.34Å; I181-L299 HydrophobicContact CD1-CD1 3.56Å |
| 182 | T | 94.3 | Very high | 88.3 | Confident | 44 Ų | 44 | 32.6 Ų | 32.6 | 27% | 0.27 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122.2 | 173.6 | -48.8 | 0 | 0 | 0 | 0 | 109.4 | K293 | T182-K293 WeakPolarHBondContact CB-O 3.16Å; T182-K293 PolarHBondContact N-O 2.88Å; T182-K293 PolarHBondContact O-N 3.34Å |
| 183 | Y | 94.9 | Very high | 85.7 | Confident | 19 Ų | 19 | 41.5 Ų | 41.5 | 8% | 0.075 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.6 | 140.7 | 164.9 | 177.9 | -89.1 | 0 | 0 | 0 | 109.8 | I92 S185 L186 A290 L292 L307 C316 L317 | I92-Y183 HydrophobicContact CD1-CD1 3.88Å; I92-Y183 HydrophobicContact CD1-CD2 3.7Å; I92-Y183 HydrophobicContact CD1-CE1 4.21Å; I92-Y183 HydrophobicContact CD1-CE2 4.04Å; I92-Y183 HydrophobicContact CD1-CG 3.6Å; I92-Y183 HydrophobicContact CG1-CD2 4.37Å; I92-Y183 HydrophobicContact CG1-CG 4.4Å; Y183-S185 VanDerWaalsContact CZ-C 3.48Å; Y183-L186 PolarHBondContact OH-N 3.37Å; Y183-L186 VanDerWaalsContact OH-N 3.09Å; Y183-A290 HydrophobicContact CD2-CB 3.89Å; Y183-A290 HydrophobicContact CE2-CB 3.8Å; Y183-L292 HydrophobicContact CD2-CD2 4.46Å; Y183-L307 HydrophobicContact CE2-CD1 4.47Å; Y183-L307 HydrophobicContact CE2-CD2 4.2Å; Y183-C316 HydrophobicContact CD1-CB 3.98Å; Y183-C316 VanDerWaalsContact CD1-SG 3.55Å; Y183-C316 HydrophobicContact CE1-CB 4.45Å; Y183-L317 HydrophobicContact CE1-CD2 4.06Å |
| 184 | T | 92.8 | Very high | 82.9 | Confident | 72 Ų | 72 | 46.8 Ų | 46.8 | 44% | 0.442 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | -39.5 | -178.5 | 62.9 | 0 | 0 | 0 | 0 | 114.1 | K291 K293 | T184-K291 PolarHBondContact N-O 3.45Å; T184-K291 VanDerWaalsContact OG1-C 3.28Å; T184-K291 WeakPolarHBondContact OG1-CB 3.28Å; T184-K291 WeakPolarHBondContact OG1-CG 3.35Å; T184-K291 PolarHBondContact OG1-O 3.36Å; T184-K293 HydrophobicContact CG2-CB 3.86Å |
| 185 | S | 93.4 | Very high | 79.9 | Confident | 46 Ų | 46 | 49.9 Ų | 49.9 | 32% | 0.322 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 166.9 | 174.3 | 73.9 | 0 | 0 | 0 | 0 | 111.1 | Y183 K291 | Y183-S185 VanDerWaalsContact CZ-C 3.48Å; S185-K291 PolarHBondContact O-N 3.32Å; S185-K291 WeakPolarHBondContact OG-CB 3.28Å |
| 186 | L | 93.1 | Very high | 76.5 | Confident | 41 Ų | 41 | 53.6 Ų | 53.6 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 157.8 | 166.1 | -163.2 | 61.2 | 0 | 0 | 0 | 110.2 | Y183 W288 F304 L307 L471 L478 | Y183-L186 PolarHBondContact OH-N 3.37Å; Y183-L186 VanDerWaalsContact OH-N 3.09Å; L186-W288 HydrophobicContact CD1-CE3 4.11Å; L186-W288 HydrophobicContact CD2-CE3 3.52Å; L186-W288 HydrophobicContact CD2-CH2 4.38Å; L186-W288 HydrophobicContact CD2-CZ3 3.36Å; L186-W288 HydrophobicContact CG-CE3 3.74Å; L186-W288 HydrophobicContact CG-CZ3 3.96Å; L186-F304 HydrophobicContact CD1-CE2 3.96Å; L186-F304 HydrophobicContact CD1-CZ 3.97Å; L186-L307 HydrophobicContact CD1-CD2 4.22Å; L186-L471 HydrophobicContact CD2-CD1 3.75Å; L186-L478 HydrophobicContact CD1-CD2 3.67Å; L186-L478 HydrophobicContact CD2-CD2 3.74Å; L186-L478 HydrophobicContact CG-CD2 4.34Å |
| 187 | I | 91.8 | Very high | 73.3 | Confident | 58 Ų | 58 | 56.9 Ų | 56.9 | 30% | 0.297 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 124.2 | 168.9 | -61.1 | 173.7 | 0 | 0 | 0 | 106.4 | R289 K291 | I187-R289 HydrophobicContact CB-CB 3.89Å; I187-R289 HydrophobicContact CD1-CB 4.41Å; I187-R289 HydrophobicContact CG2-CB 4.22Å; I187-R289 PolarHBondContact N-O 3.4Å; I187-R289 PolarHBondContact O-N 3.5Å; I187-K291 HydrophobicContact CD1-CB 4.01Å; I187-K291 HydrophobicContact CG1-CB 4.06Å |
| 188 | E | 90 | Very high | 70.1 | Confident | 110 Ų | 110 | 65.3 Ų | 65.3 | 51% | 0.514 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 157.7 | -174.3 | -81.4 | 165.4 | -138 | 0 | 0 | 113.6 | W288 K473 | E188-W288 HydrophobicContact CB-CZ3 4.31Å; E188-W288 HydrophobicContact CG-CE3 4.41Å; E188-W288 HydrophobicContact CG-CH2 4.1Å; E188-W288 HydrophobicContact CG-CZ3 3.58Å; E188-K473 HydrophobicContact CB-CD 4Å; E188-K473 HydrophobicContact CG-CD 3.97Å; E188-K473 WeakPolarHBondContact OE2-CD 3.43Å; E188-K473 WeakPolarHBondContact OE2-CE 3.4Å; E188-K473 IonicContact OE2-NZ 3.77Å; E188-K473 PolarHBondContact OE2-NZ 3.29Å |
| 189 | P | 85.3 | Confident | 66.8 | Low | 4 Ų | 4 | 70.2 Ų | 70.2 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | P | Polyproline II helix | trans | -67.1 | 130.4 | 170.7 | -16.1 | 31.5 | 0 | 0 | 0 | 110.8 | F286 W288 K473 N474 C476 | P189-F286 WeakPolarHBondContact CA-O 3.31Å; P189-F286 WeakPolarHBondContact CB-O 3.37Å; P189-W288 HydrophobicContact CG-CD2 3.7Å; P189-W288 HydrophobicContact CG-CE3 4.3Å; P189-W288 HydrophobicContact CG-CG 3.87Å; P189-W288 HydrophobicContact CG-CZ2 4.13Å; P189-K473 HydrophobicContact CG-CB 4.27Å; P189-K473 HydrophobicContact CG-CG 4.49Å; P189-N474 HydrophobicContact CB-CB 4.32Å; P189-N474 PolarHBondContact O-ND2 3.29Å; P189-C476 HydrophobicContact CB-CB 4.07Å; P189-C476 HydrophobicContact CG-CB 3.73Å |
| 190 | S | 74.8 | Confident | 63.5 | Low | 27 Ų | 27 | 73.9 Ų | 73.9 | 19% | 0.189 | 38% | 0.384 | C | S | . | . | P | Polyproline II helix | trans | -78.3 | 132 | -179.5 | 55.9 | 0 | 0 | 0 | 0 | 111.5 | F286 | S190-F286 PolarHBondContact N-O 2.99Š|
| 191 | S | 57.2 | Low | 60.3 | Low | 17 Ų | 17 | 81 Ų | 81 | 12% | 0.119 | 42% | 0.42 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 165.9 | 168.5 | 95.5 | 0 | 0 | 0 | 0 | 110.5 | K193 D194 N474 | S191-K193 PolarHBondContact O-N 3.06Å; S191-K193 PolarHBondContact OG-N 3.49Å; S191-D194 VanDerWaalsContact CB-OD2 3.25Å; S191-D194 WeakPolarHBondContact CB-OD2 3.32Å; S191-D194 VanDerWaalsContact OG-CG 3.26Å; S191-D194 PolarHBondContact OG-N 3.44Å; S191-D194 VanDerWaalsContact OG-N 3.14Å; S191-D194 PolarHBondContact OG-OD2 3.26Å; S191-N474 WeakPolarHBondContact CB-OD1 3.39Å; S191-N474 PolarHBondContact N-ND2 2.64Å |
| 192 | S | 48.4 | Very low | 57.1 | Low | 67 Ų | 67 | 88.7 Ų | 88.7 | 47% | 0.469 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -77.5 | 5.3 | 173.7 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | ||
| 193 | K | 39.3 | Very low | 53.8 | Low | 187 Ų | 187 | 95.4 Ų | 95.4 | 81% | 0.813 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -113.9 | -25.7 | 177.6 | -64 | -178.5 | 179.5 | 178.5 | 0 | 113 | S191 | S191-K193 PolarHBondContact O-N 3.06Å; S191-K193 PolarHBondContact OG-N 3.49Å |
| 194 | D | 36.4 | Very low | 50.5 | Low | 112 Ų | 112 | 102.3 Ų | 102.3 | 60% | 0.599 | 52% | 0.522 | S | S | * | . | trans | -101 | 26.8 | -172.1 | -49.8 | -56.4 | 0 | 0 | 0 | 113.7 | S191 P196 | S191-D194 VanDerWaalsContact CB-OD2 3.25Å; S191-D194 WeakPolarHBondContact CB-OD2 3.32Å; S191-D194 VanDerWaalsContact OG-CG 3.26Å; S191-D194 PolarHBondContact OG-N 3.44Å; S191-D194 VanDerWaalsContact OG-N 3.14Å; S191-D194 PolarHBondContact OG-OD2 3.26Å; D194-P196 VanDerWaalsContact O-CD 3.31Å; D194-P196 WeakPolarHBondContact O-CD 3.01Å | ||
| 195 | L | 28.3 | Very low | 47.2 | Very low | 70 Ų | 70 | 106.8 Ų | 106.8 | 37% | 0.366 | 54% | 0.543 | S | S | . | . | trans | -71.4 | 121.2 | 162.9 | -82.5 | 179.9 | 0 | 0 | 0 | 108.4 | I197 V283 | L195-I197 PolarHBondContact O-N 2.86Å; L195-V283 HydrophobicContact CD1-CG1 3.82Å; L195-V283 HydrophobicContact CD1-CG2 4.47Å | ||
| 196 | P | 24.3 | Very low | 44 | Very low | 80 Ų | 80 | 108.2 Ų | 108.2 | 52% | 0.519 | 56% | 0.558 | S | S | . | * | trans | -60.3 | 134.3 | 160.3 | -14.9 | 30.3 | 0 | 0 | 0 | 107.5 | D194 F198 | D194-P196 VanDerWaalsContact O-CD 3.31Å; D194-P196 WeakPolarHBondContact O-CD 3.01Å; P196-F198 HydrophobicContact CB-CD2 3.96Å; P196-F198 HydrophobicContact CB-CE2 3.67Å; P196-F198 HydrophobicContact CB-CZ 4.05Å; P196-F198 HydrophobicContact CG-CD2 4.32Å; P196-F198 HydrophobicContact CG-CE2 3.67Å; P196-F198 HydrophobicContact CG-CZ 4.16Å; P196-F198 PolarHBondContact O-N 2.92Å | ||
| 197 | I | 24.7 | Very low | 40.8 | Very low | 130 Ų | 130 | 112.7 Ų | 112.7 | 67% | 0.667 | 59% | 0.589 | S | S | * | * | trans | -69.3 | 84.7 | 171.7 | -56.1 | 174.2 | 0 | 0 | 0 | 107.1 | L195 Y199 | L195-I197 PolarHBondContact O-N 2.86Å; I197-Y199 PolarHBondContact O-N 2.99Å | ||
| 198 | F | 27.2 | Very low | 37.6 | Very low | 181 Ų | 181 | 113.2 Ų | 113.2 | 79% | 0.794 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -73.5 | 55.6 | 169.5 | -75.1 | -65.9 | 0 | 0 | 0 | 110.1 | P196 | P196-F198 HydrophobicContact CB-CD2 3.96Å; P196-F198 HydrophobicContact CB-CE2 3.67Å; P196-F198 HydrophobicContact CB-CZ 4.05Å; P196-F198 HydrophobicContact CG-CD2 4.32Å; P196-F198 HydrophobicContact CG-CE2 3.67Å; P196-F198 HydrophobicContact CG-CZ 4.16Å; P196-F198 PolarHBondContact O-N 2.92Å |
| 199 | Y | 25.1 | Very low | 34.5 | Very low | 150 Ų | 150 | 119.4 Ų | 119.4 | 59% | 0.588 | 63% | 0.629 | S | S | * | * | trans | -155.2 | 33.3 | -177.2 | -119.7 | -74 | 0 | 0 | 0 | 110.4 | I197 N644 | I197-Y199 PolarHBondContact O-N 2.99Å; Y199-N644 PolarHBondContact OH-ND2 2.79Å; Y199-N644 VanDerWaalsContact OH-ND2 3.11Å | ||
| 200 | N | 25.4 | Very low | 31.6 | Very low | 121 Ų | 121 | 124.2 Ų | 124.2 | 65% | 0.647 | 66% | 0.663 | S | S | * | * | trans | -147.9 | 43.8 | 176.9 | -105.4 | -26.1 | 0 | 0 | 0 | 114.4 | ||||
| 201 | D | 26.4 | Very low | 29.3 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 86% | 0.861 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -134.7 | 111.6 | 153.8 | -81.2 | -53 | 0 | 0 | 0 | 104.5 | ||
| 202 | I | 26.5 | Very low | 27.8 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 85% | 0.846 | 72% | 0.718 | S | S | * | * | S | Bend | cis | -134.1 | 124.5 | 24.2 | -65.9 | 142.4 | 0 | 0 | 0 | 109.6 | ||
| 203 | K | 24.1 | Very low | 26.7 | Very low | 186 Ų | 186 | 136.5 Ų | 136.5 | 81% | 0.809 | 73% | 0.732 | S | S | * | * | trans | -152.6 | 34.7 | 169 | -130.4 | 175.5 | -170.9 | 177.4 | 0 | 116 | N205 | K203-N205 PolarHBondContact O-N 3.2Š| ||
| 204 | L | 25.5 | Very low | 26 | Very low | 163 Ų | 163 | 136.4 Ų | 136.4 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | trans | -85.1 | 91.2 | 169.3 | -81.6 | 169.3 | 0 | 0 | 0 | 111.2 | A206 | L204-A206 VanDerWaalsContact C-N 3.3Å; L204-A206 PolarHBondContact O-N 3.49Å | ||
| 205 | N | 24 | Very low | 25.5 | Very low | 167 Ų | 167 | 136.8 Ų | 136.8 | 89% | 0.893 | 74% | 0.739 | S | S | * | * | trans | -72.6 | 86.9 | 159.7 | -81.1 | -12.5 | 0 | 0 | 0 | 109 | K203 | K203-N205 PolarHBondContact O-N 3.2Š| ||
| 206 | A | 26.5 | Very low | 25.4 | Very low | 76 Ų | 76 | 143.2 Ų | 143.2 | 63% | 0.628 | 76% | 0.764 | S | S | * | * | trans | -129.3 | 118.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | L204 G208 | L204-A206 VanDerWaalsContact C-N 3.3Å; L204-A206 PolarHBondContact O-N 3.49Å; A206-G208 PolarHBondContact O-N 3.48Å | ||
| 207 | P | 25.8 | Very low | 25.5 | Very low | 135 Ų | 135 | 144.7 Ų | 144.7 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | trans | -78.7 | 123.8 | -173 | 30.1 | -33.4 | 0 | 0 | 0 | 111.9 | ||||
| 208 | G | 24.3 | Very low | 25.6 | Very low | 68 Ų | 68 | 146.2 Ų | 146.2 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 79.5 | 94 | 161 | 0 | 0 | 0 | 0 | 0 | 116.7 | A206 | A206-G208 PolarHBondContact O-N 3.48Š| ||
| 209 | Y | 25.5 | Very low | 25.6 | Very low | 240 Ų | 240 | 143.2 Ų | 143.2 | 94% | 0.941 | 78% | 0.783 | S | S | * | * | trans | -151.5 | 147.3 | 133.3 | -108.7 | -75.9 | 0 | 0 | 0 | 109.4 | ||||
| 210 | S | 24 | Very low | 26 | Very low | 105 Ų | 105 | 142.8 Ų | 142.8 | 73% | 0.734 | 79% | 0.79 | S | S | * | * | trans | -76.3 | 135.7 | -164.9 | -170.8 | 0 | 0 | 0 | 0 | 113.8 | S212 | S210-S212 PolarHBondContact O-N 2.9Š| ||
| 211 | P | 26.7 | Very low | 26.6 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | -75.3 | 94.8 | 178.6 | 31 | -34.6 | 0 | 0 | 0 | 111.6 | I213 | P211-I213 PolarHBondContact O-N 2.81Š| ||
| 212 | S | 25.6 | Very low | 26.9 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 71% | 0.713 | 77% | 0.769 | S | S | * | * | trans | -69.6 | 116.7 | 169.9 | 49.4 | 0 | 0 | 0 | 0 | 110.9 | S210 K214 | S210-S212 PolarHBondContact O-N 2.9Å; S212-K214 PolarHBondContact O-N 3.08Å | ||
| 213 | I | 24.8 | Very low | 27.2 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 77% | 0.774 | 76% | 0.764 | S | S | * | * | trans | -68.8 | 111.5 | -172.3 | -58.7 | 171.7 | 0 | 0 | 0 | 110.4 | P211 T215 | P211-I213 PolarHBondContact O-N 2.81Å; I213-T215 HydrophobicContact CG2-CG2 4.06Å | ||
| 214 | K | 25.6 | Very low | 27.6 | Very low | 185 Ų | 185 | 132.6 Ų | 132.6 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | trans | -98.8 | 93.3 | 168.5 | -75.2 | -176.1 | 177.4 | 175.7 | 0 | 110.5 | S212 F216 | S212-K214 PolarHBondContact O-N 3.08Å; K214-F216 PolarHBondContact O-N 3.1Å | ||
| 215 | T | 24.9 | Very low | 27.8 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 74% | 0.742 | 75% | 0.752 | S | S | * | * | trans | -66.9 | 111.5 | 177.3 | 32 | 0 | 0 | 0 | 0 | 112.2 | I213 S217 | I213-T215 HydrophobicContact CG2-CG2 4.06Å; T215-S217 PolarHBondContact O-N 3.02Å | ||
| 216 | F | 25.6 | Very low | 28 | Very low | 205 Ų | 205 | 132.4 Ų | 132.4 | 90% | 0.899 | 74% | 0.741 | S | S | * | * | trans | -74.5 | 110.4 | 166.7 | -90.4 | -89.7 | 0 | 0 | 0 | 110.2 | K214 | K214-F216 PolarHBondContact O-N 3.1Š| ||
| 217 | S | 27.5 | Very low | 28 | Very low | 111 Ų | 111 | 138.7 Ų | 138.7 | 78% | 0.776 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 127.6 | 178.6 | 38 | 0 | 0 | 0 | 0 | 111.4 | T215 | T215-S217 PolarHBondContact O-N 3.02Š|
| 218 | I | 26.5 | Very low | 28 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -92.2 | 120.9 | 174.8 | -58.8 | 175.7 | 0 | 0 | 0 | 108.1 | N220 | I218-N220 PolarHBondContact O-N 2.89Š|
| 219 | P | 27.1 | Very low | 28.1 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 128.5 | -177.5 | 29 | -33.8 | 0 | 0 | 0 | 111.3 | ||
| 220 | N | 34.3 | Very low | 28.2 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 153.6 | 173.6 | -151 | -15.1 | 0 | 0 | 0 | 111 | I218 N222 G223 | I218-N220 PolarHBondContact O-N 2.89Å; N220-N222 PolarHBondContact O-N 3.46Å; N220-G223 PolarHBondContact O-N 3.3Å |
| 221 | Q | 36.9 | Very low | 28.2 | Very low | 90 Ų | 90 | 136.6 Ų | 136.6 | 42% | 0.421 | 73% | 0.725 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.6 | 7.3 | -148.6 | -56.5 | 177.9 | 25.9 | 0 | 0 | 117.6 | T862 R865 | Q221-T862 VanDerWaalsContact NE2-CG2 3.26Å; Q221-R865 VanDerWaalsContact O-CZ 3.23Å; Q221-R865 PolarHBondContact O-NH1 2.91Å |
| 222 | N | 33.5 | Very low | 28.1 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 64% | 0.642 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.1 | 1.5 | -175.2 | -75.5 | -1 | 0 | 0 | 0 | 114.6 | N220 E224 R865 | N220-N222 PolarHBondContact O-N 3.46Å; N222-E224 PolarHBondContact O-N 3.37Å; N222-R865 VanDerWaalsContact OD1-CZ 3.28Å; N222-R865 PolarHBondContact OD1-NH1 3.04Å; N222-R865 PolarHBondContact OD1-NH2 3.23Å |
| 223 | G | 32.4 | Very low | 28.1 | Very low | 71 Ų | 71 | 142.9 Ų | 142.9 | 73% | 0.732 | 74% | 0.735 | S | S | * | * | trans | 75.4 | -15.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 117 | N220 K225 | N220-G223 PolarHBondContact O-N 3.3Å; G223-K225 PolarHBondContact O-N 3Å | ||
| 224 | E | 33 | Very low | 28.2 | Very low | 139 Ų | 139 | 142 Ų | 142 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | trans | -63.7 | 118.5 | 172.9 | -71.2 | -167.1 | 155.5 | 0 | 0 | 112.2 | N222 K226 | N222-E224 PolarHBondContact O-N 3.37Å; E224-K226 VanDerWaalsContact C-N 3.27Å; E224-K226 PolarHBondContact O-N 3.11Å; E224-K226 IonicContact OE1-NZ 3.76Å; E224-K226 IonicContact OE2-NZ 3.8Å; E224-K226 PolarHBondContact OE2-NZ 3.09Å | ||
| 225 | K | 30 | Very low | 28.1 | Very low | 176 Ų | 176 | 139.3 Ų | 139.3 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | trans | -77.8 | 70.1 | 169.3 | -66.9 | -177.3 | 179.9 | 178.1 | 0 | 111.3 | G223 Y227 | G223-K225 PolarHBondContact O-N 3Å; K225-Y227 HydrophobicContact CB-CE2 4.3Å; K225-Y227 WeakPolarHBondContact O-CD2 3.19Å; K225-Y227 PolarHBondContact O-N 2.77Å | ||
| 226 | K | 27.2 | Very low | 28.2 | Very low | 150 Ų | 150 | 140.9 Ų | 140.9 | 65% | 0.652 | 74% | 0.736 | S | S | * | * | trans | -78.7 | 99.9 | 166.7 | -76.9 | -163.7 | 168.8 | 88.2 | 0 | 110 | E224 V228 | E224-K226 VanDerWaalsContact C-N 3.27Å; E224-K226 PolarHBondContact O-N 3.11Å; E224-K226 IonicContact OE1-NZ 3.76Å; E224-K226 IonicContact OE2-NZ 3.8Å; E224-K226 PolarHBondContact OE2-NZ 3.09Å; K226-V228 PolarHBondContact O-N 3.07Å | ||
| 227 | Y | 26.8 | Very low | 28.3 | Very low | 208 Ų | 208 | 138 Ų | 138 | 82% | 0.816 | 73% | 0.728 | S | S | * | * | trans | -63.6 | 119.7 | 164.3 | -63.5 | -96.3 | 0 | 0 | 0 | 108.5 | K225 | K225-Y227 HydrophobicContact CB-CE2 4.3Å; K225-Y227 WeakPolarHBondContact O-CD2 3.19Å; K225-Y227 PolarHBondContact O-N 2.77Å | ||
| 228 | V | 26 | Very low | 28.2 | Very low | 114 Ų | 114 | 140.9 Ų | 140.9 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | trans | -112.5 | 104.6 | 169.1 | -178 | 0 | 0 | 0 | 0 | 106.2 | K226 I230 | K226-V228 PolarHBondContact O-N 3.07Å; V228-I230 HydrophobicContact CG1-CD1 4.18Å; V228-I230 HydrophobicContact CG1-CG1 3.97Å | ||
| 229 | N | 26.5 | Very low | 28.1 | Very low | 123 Ų | 123 | 137.7 Ų | 137.7 | 66% | 0.658 | 73% | 0.726 | S | S | * | * | trans | -75.8 | 131.9 | 172.7 | -166.4 | 3.5 | 0 | 0 | 0 | 109.3 | D231 | N229-D231 PolarHBondContact ND2-OD2 2.89Å; N229-D231 PolarHBondContact OD1-N 2.79Å; N229-D231 PolarHBondContact OD1-OD2 2.7Å; N229-D231 VanDerWaalsContact OD1-OD2 3.12Å | ||
| 230 | I | 26.9 | Very low | 28.2 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 72% | 0.718 | 73% | 0.728 | S | S | * | * | trans | -135.3 | 46.5 | 168.8 | -40.5 | -178 | 0 | 0 | 0 | 109.6 | V228 H232 | V228-I230 HydrophobicContact CG1-CD1 4.18Å; V228-I230 HydrophobicContact CG1-CG1 3.97Å; I230-H232 VanDerWaalsContact C-N 3.34Å; I230-H232 PolarHBondContact O-N 2.92Å; I230-H232 VanDerWaalsContact O-N 3.14Å | ||
| 231 | D | 24 | Very low | 27.7 | Very low | 126 Ų | 126 | 140.4 Ų | 140.4 | 67% | 0.674 | 73% | 0.733 | S | S | * | * | trans | -61.7 | 98.4 | 144.6 | -65.9 | -45 | 0 | 0 | 0 | 108 | N229 | N229-D231 PolarHBondContact ND2-OD2 2.89Å; N229-D231 PolarHBondContact OD1-N 2.79Å; N229-D231 PolarHBondContact OD1-OD2 2.7Å; N229-D231 VanDerWaalsContact OD1-OD2 3.12Å | ||
| 232 | H | 25.8 | Very low | 27.2 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | trans | -175.7 | 94.1 | 156.6 | -96.9 | -56.8 | 0 | 0 | 0 | 111.1 | I230 | I230-H232 VanDerWaalsContact C-N 3.34Å; I230-H232 PolarHBondContact O-N 2.92Å; I230-H232 VanDerWaalsContact O-N 3.14Å | ||
| 233 | M | 26.1 | Very low | 26.9 | Very low | 193 Ų | 193 | 146.5 Ų | 146.5 | 95% | 0.951 | 76% | 0.759 | S | S | * | * | trans | -172.8 | 34.8 | 132.1 | -102.6 | -178 | -171.2 | 0 | 0 | 113 | ||||
| 234 | T | 25.4 | Very low | 26.5 | Very low | 133 Ų | 133 | 148.2 Ų | 148.2 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | trans | -98 | 100.3 | 159.8 | 47.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 235 | D | 25 | Very low | 26.1 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | trans | -150.4 | 134.2 | 171.1 | -102 | -47.6 | 0 | 0 | 0 | 111.3 | ||||
| 236 | N | 26.9 | Very low | 25.9 | Very low | 154 Ų | 154 | 148.7 Ų | 148.7 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | trans | 73.2 | 121.6 | -168.5 | -47.7 | -82.8 | 0 | 0 | 0 | 113.7 | ||||
| 237 | I | 26.7 | Very low | 25.8 | Very low | 145 Ų | 145 | 146 Ų | 146 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | cis | -133.8 | 123.6 | 20.8 | -69.4 | 174.2 | 0 | 0 | 0 | 111.1 | S239 | I237-S239 PolarHBondContact O-N 2.98Š| ||
| 238 | N | 25 | Very low | 25.7 | Very low | 171 Ų | 171 | 142.4 Ų | 142.4 | 91% | 0.914 | 76% | 0.759 | S | S | * | * | trans | -77.7 | 110.8 | 153.9 | -93.4 | -42.4 | 0 | 0 | 0 | 108.3 | ||||
| 239 | S | 25.9 | Very low | 25.7 | Very low | 93 Ų | 93 | 142.7 Ų | 142.7 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | -157.6 | 151.8 | 165.3 | -162.6 | 0 | 0 | 0 | 0 | 110.3 | I237 | I237-S239 PolarHBondContact O-N 2.98Š| ||
| 240 | I | 28.1 | Very low | 25.7 | Very low | 158 Ų | 158 | 142.1 Ų | 142.1 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | 60.5 | 47.6 | -177.7 | -34.7 | -179.2 | 0 | 0 | 0 | 113.6 | ||||
| 241 | N | 24.8 | Very low | 25.9 | Very low | 159 Ų | 159 | 142.3 Ų | 142.3 | 85% | 0.85 | 75% | 0.752 | S | S | * | * | trans | -100.3 | 76.9 | 145.9 | -137.5 | -5 | 0 | 0 | 0 | 107 | ||||
| 242 | N | 25.6 | Very low | 25.8 | Very low | 128 Ų | 128 | 146.1 Ų | 146.1 | 68% | 0.684 | 76% | 0.757 | S | S | * | * | trans | -173.6 | 93.3 | 174.1 | -102.2 | -24.7 | 0 | 0 | 0 | 110.6 | ||||
| 243 | F | 26.2 | Very low | 25.8 | Very low | 209 Ų | 209 | 145.1 Ų | 145.1 | 92% | 0.917 | 75% | 0.752 | S | S | * | * | trans | -164 | 74 | 132.4 | -110.4 | -68.4 | 0 | 0 | 0 | 110.7 | ||||
| 244 | V | 24.8 | Very low | 25.8 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 65% | 0.648 | 74% | 0.742 | S | S | * | * | 34.7 | 120.8 | 124.1 | -177.8 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 245 | N | 24.8 | Very low | 26 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 80% | 0.802 | 74% | 0.738 | S | S | * | * | trans | -36.9 | 134.5 | 161.8 | -50.8 | -42.2 | 0 | 0 | 0 | 114.1 | ||||
| 246 | Q | 26 | Very low | 26.2 | Very low | 176 Ų | 176 | 141.2 Ų | 141.2 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | trans | -171.4 | 144.5 | 132.6 | -107.8 | 156 | 32 | 0 | 0 | 112.6 | ||||
| 247 | S | 24.7 | Very low | 26 | Very low | 94 Ų | 94 | 140.8 Ų | 140.8 | 66% | 0.657 | 74% | 0.736 | S | S | * | * | trans | 29.6 | 140.3 | 141.5 | 69.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 248 | N | 25 | Very low | 25.9 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | cis | -169.8 | -162.8 | -1 | -124.5 | 35.5 | 0 | 0 | 0 | 107.9 | ||||
| 249 | D | 25.6 | Very low | 26 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 64% | 0.642 | 72% | 0.723 | S | S | * | * | trans | 27.3 | 130.6 | 135 | -56.6 | -33.4 | 0 | 0 | 0 | 119 | ||||
| 250 | N | 26.9 | Very low | 26 | Very low | 111 Ų | 111 | 145.1 Ų | 145.1 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | cis | -169.4 | 169.2 | 14.4 | -130.9 | -44.4 | 0 | 0 | 0 | 111.8 | ||||
| 251 | H | 29.9 | Very low | 25.9 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 67% | 0.671 | 72% | 0.717 | S | S | * | * | trans | 64.2 | 117.8 | 161 | -53.6 | -21.7 | 0 | 0 | 0 | 117.4 | ||||
| 252 | R | 23.8 | Very low | 26 | Very low | 206 Ų | 206 | 141.4 Ų | 141.4 | 78% | 0.777 | 71% | 0.712 | S | S | * | * | cis | 95.3 | 123.4 | 45.1 | -85.7 | -178.8 | 162.4 | -175.3 | -1.8 | 113.6 | ||||
| 253 | H | 25.2 | Very low | 25.9 | Very low | 136 Ų | 136 | 140.4 Ų | 140.4 | 63% | 0.63 | 71% | 0.714 | S | S | * | * | trans | 78 | 123.4 | 140.3 | -76 | -62.7 | 0 | 0 | 0 | 121.8 | ||||
| 254 | H | 24.9 | Very low | 25.9 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 73% | 0.731 | 71% | 0.707 | S | S | * | * | trans | 73.7 | 115.1 | 145.1 | -60.9 | -53.5 | 0 | 0 | 0 | 121.2 | ||||
| 255 | S | 30.3 | Very low | 26.1 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 73% | 0.734 | 71% | 0.705 | S | S | * | * | 0.7 | 148.3 | 121.9 | -34 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 256 | P | 29.3 | Very low | 26.1 | Very low | 110 Ų | 110 | 135 Ų | 135 | 71% | 0.714 | 70% | 0.697 | S | S | * | * | cis | -152 | -174.8 | 43.2 | 44.5 | -24.4 | 0 | 0 | 0 | 117.6 | ||||
| 257 | L | 23.3 | Very low | 26.2 | Very low | 145 Ų | 145 | 136.7 Ų | 136.7 | 76% | 0.759 | 70% | 0.698 | S | S | * | * | trans | 30.4 | 143.3 | 138.5 | -71.5 | 167.9 | 0 | 0 | 0 | 121.8 | ||||
| 258 | R | 23.8 | Very low | 26.2 | Very low | 207 Ų | 207 | 140.8 Ų | 140.8 | 78% | 0.781 | 70% | 0.7 | S | S | * | * | trans | 70.8 | 153.7 | 160.8 | -66.4 | 169.5 | -167.3 | -147 | 7.5 | 113.7 | ||||
| 259 | H | 27.3 | Very low | 26.3 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 61% | 0.611 | 70% | 0.702 | S | S | * | * | cis | -158.6 | 159.2 | -1.2 | -123.5 | -39.5 | 0 | 0 | 0 | 107.9 | ||||
| 260 | K | 25.8 | Very low | 26.3 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 70% | 0.7 | 71% | 0.709 | S | S | * | * | trans | 68.9 | 157.1 | 146.3 | -68.3 | 177 | 171.4 | -160 | 0 | 117.2 | ||||
| 261 | D | 26.5 | Very low | 26.3 | Very low | 118 Ų | 118 | 139.5 Ų | 139.5 | 63% | 0.631 | 71% | 0.713 | S | S | * | * | cis | -151 | 159.3 | -13.5 | -108.3 | -27.1 | 0 | 0 | 0 | 109.5 | ||||
| 262 | T | 26.1 | Very low | 26.2 | Very low | 121 Ų | 121 | 140.5 Ų | 140.5 | 74% | 0.742 | 72% | 0.723 | S | S | * | * | trans | 23.8 | 155.6 | 146.9 | 76.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 263 | C | 24.2 | Very low | 26.4 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 72% | 0.723 | 73% | 0.726 | S | S | * | * | cis | -173.7 | 174.4 | 28.6 | -151.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 264 | V | 26.3 | Very low | 26.5 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 78% | 0.782 | 74% | 0.736 | S | S | * | * | trans | 65.6 | 130.4 | 160.7 | -177.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 265 | S | 29 | Very low | 26.7 | Very low | 87 Ų | 87 | 140.5 Ų | 140.5 | 61% | 0.608 | 73% | 0.734 | S | S | * | * | cis | -157.4 | 151.8 | -14.8 | 59.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 266 | E | 24.4 | Very low | 26.6 | Very low | 136 Ų | 136 | 145.6 Ų | 145.6 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | 41.1 | 131.6 | 82.4 | -51.6 | -174.1 | 129.8 | 0 | 0 | 113.6 | |||||
| 267 | Y | 27.6 | Very low | 26.5 | Very low | 211 Ų | 211 | 148.4 Ų | 148.4 | 83% | 0.827 | 75% | 0.746 | S | S | * | * | cis | -132 | 168.6 | 48.7 | -83.7 | -99 | 0 | 0 | 0 | 117.6 | ||||
| 268 | Y | 25.6 | Very low | 26.6 | Very low | 180 Ų | 180 | 151.8 Ų | 151.8 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -65.8 | -178.1 | 171.6 | -69.6 | -105.4 | 0 | 0 | 0 | 112.6 | ||||
| 269 | V | 26.1 | Very low | 26.6 | Very low | 122 Ų | 122 | 148.1 Ų | 148.1 | 74% | 0.739 | 76% | 0.755 | S | S | * | * | cis | -156.1 | 137.3 | 35.5 | -179.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 270 | N | 26.1 | Very low | 26.5 | Very low | 149 Ų | 149 | 149.5 Ų | 149.5 | 80% | 0.797 | 76% | 0.762 | S | S | * | * | trans | 24.7 | 145.9 | 152.9 | -48 | -12 | 0 | 0 | 0 | 123.7 | ||||
| 271 | G | 26.1 | Very low | 26.7 | Very low | 65 Ų | 65 | 150.2 Ų | 150.2 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | trans | 106.3 | 127.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 272 | D | 28.2 | Very low | 27 | Very low | 165 Ų | 165 | 151.9 Ų | 151.9 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | cis | -149.1 | 176.2 | -7.1 | -108.6 | -52.6 | 0 | 0 | 0 | 111.5 | ||||
| 273 | K | 29.4 | Very low | 27.7 | Very low | 193 Ų | 193 | 149.3 Ų | 149.3 | 84% | 0.839 | 76% | 0.761 | S | S | * | * | trans | -82.2 | 125.3 | -179.1 | -56.7 | 166.3 | -173.8 | 165.1 | 0 | 111.5 | ||||
| 274 | E | 26.7 | Very low | 28.9 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 84% | 0.836 | 75% | 0.748 | S | S | * | * | trans | -172.6 | 178.9 | 143.5 | -112.9 | 159.2 | -151.7 | 0 | 0 | 113.1 | ||||
| 275 | N | 29.7 | Very low | 30.4 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 68% | 0.684 | 74% | 0.735 | S | S | * | * | trans | 63.7 | 64.6 | 168.1 | -60.5 | -23 | 0 | 0 | 0 | 118.1 | E277 | N275-E277 VanDerWaalsContact C-N 3.27Å; N275-E277 PolarHBondContact O-N 2.85Å | ||
| 276 | K | 27 | Very low | 32.5 | Very low | 213 Ų | 213 | 147.8 Ų | 147.8 | 93% | 0.926 | 72% | 0.716 | S | S | * | * | trans | -87.5 | 64 | 142 | -82.4 | -171 | 174.4 | -179.5 | 0 | 110.5 | ||||
| 277 | E | 26.5 | Very low | 35.2 | Very low | 169 Ų | 169 | 141.4 Ų | 141.4 | 79% | 0.79 | 69% | 0.687 | S | S | * | * | trans | -88.2 | 148.3 | 168.7 | -69.6 | -152.2 | 121.7 | 0 | 0 | 111.5 | N275 | N275-E277 VanDerWaalsContact C-N 3.27Å; N275-E277 PolarHBondContact O-N 2.85Å | ||
| 278 | Y | 25.5 | Very low | 38.2 | Very low | 216 Ų | 216 | 131.9 Ų | 131.9 | 85% | 0.847 | 65% | 0.65 | S | S | * | * | trans | -73.2 | 129 | -177.5 | -94.1 | -116.1 | 0 | 0 | 0 | 111.6 | Q280 | Y278-Q280 PolarHBondContact O-N 3.32Š| ||
| 279 | C | 23.6 | Very low | 41.5 | Very low | 130 Ų | 130 | 125.2 Ų | 125.2 | 88% | 0.878 | 62% | 0.623 | S | S | * | * | trans | -67.1 | 83.8 | 157.5 | -74.9 | 0 | 0 | 0 | 0 | 110.3 | E281 | C279-E281 PolarHBondContact O-N 3.01Š| ||
| 280 | Q | 26.8 | Very low | 44.6 | Very low | 161 Ų | 161 | 119.8 Ų | 119.8 | 75% | 0.752 | 59% | 0.592 | S | S | * | * | trans | -79.7 | 104.4 | 162 | -67.5 | -168.2 | 5.1 | 0 | 0 | 108.7 | Y278 N282 | Y278-Q280 PolarHBondContact O-N 3.32Å; Q280-N282 PolarHBondContact O-N 3.11Å | ||
| 281 | E | 29 | Very low | 47.8 | Very low | 176 Ų | 176 | 118.6 Ų | 118.6 | 82% | 0.822 | 58% | 0.579 | S | S | * | * | trans | -63 | 130.3 | 173.7 | -64.9 | -170.1 | 142.8 | 0 | 0 | 110.4 | C279 V283 | C279-E281 PolarHBondContact O-N 3.01Å; E281-V283 VanDerWaalsContact C-N 3.35Å; E281-V283 PolarHBondContact O-N 2.87Å | ||
| 282 | N | 33.9 | Very low | 51 | Low | 152 Ų | 152 | 116.1 Ų | 116.1 | 81% | 0.813 | 55% | 0.551 | S | S | * | * | trans | -71.9 | 85.2 | -174.5 | -86.6 | -68.4 | 0 | 0 | 0 | 112 | Q280 K284 | Q280-N282 PolarHBondContact O-N 3.11Å; N282-K284 PolarHBondContact O-N 2.96Å | ||
| 283 | V | 39.2 | Very low | 54 | Low | 68 Ų | 68 | 115.4 Ų | 115.4 | 41% | 0.412 | 54% | 0.54 | S | S | . | . | trans | -55.7 | 99.4 | 174.5 | 168.4 | 0 | 0 | 0 | 0 | 110.5 | L195 E281 R285 | L195-V283 HydrophobicContact CD1-CG1 3.82Å; L195-V283 HydrophobicContact CD1-CG2 4.47Å; E281-V283 VanDerWaalsContact C-N 3.35Å; E281-V283 PolarHBondContact O-N 2.87Å; V283-R285 PolarHBondContact O-N 2.66Å; V283-R285 VanDerWaalsContact O-N 3.09Å | ||
| 284 | K | 49.9 | Very low | 57.1 | Low | 108 Ų | 108 | 109.8 Ų | 109.8 | 47% | 0.47 | 52% | 0.523 | S | S | . | . | trans | -66.7 | 106.6 | 176.8 | -76.7 | 173.2 | 178.8 | 163.7 | 0 | 109.8 | N282 F286 | N282-K284 PolarHBondContact O-N 2.96Å; K284-F286 HydrophobicContact CB-CE2 4.22Å; K284-F286 WeakPolarHBondContact O-CD2 3.3Å; K284-F286 VanDerWaalsContact O-CE2 3.3Å; K284-F286 WeakPolarHBondContact O-CE2 3.41Å | ||
| 285 | R | 58.2 | Low | 59.8 | Low | 132 Ų | 132 | 106.5 Ų | 106.5 | 50% | 0.498 | 51% | 0.508 | S | S | . | . | trans | -67.5 | 142.2 | 170.1 | -65.5 | 179.2 | -179.9 | 154.3 | 2.7 | 109.6 | V283 | V283-R285 PolarHBondContact O-N 2.66Å; V283-R285 VanDerWaalsContact O-N 3.09Å | ||
| 286 | F | 72.6 | Confident | 62.1 | Low | 50 Ų | 50 | 103.6 Ų | 103.6 | 22% | 0.219 | 49% | 0.492 | C | S | . | . | trans | -121.6 | 135.2 | 174.9 | -67.1 | -93.3 | 0 | 0 | 0 | 109.4 | P189 S190 K284 R289 H303 | P189-F286 WeakPolarHBondContact CA-O 3.31Å; P189-F286 WeakPolarHBondContact CB-O 3.37Å; S190-F286 PolarHBondContact N-O 2.99Å; K284-F286 HydrophobicContact CB-CE2 4.22Å; K284-F286 WeakPolarHBondContact O-CD2 3.3Å; K284-F286 VanDerWaalsContact O-CE2 3.3Å; K284-F286 WeakPolarHBondContact O-CE2 3.41Å; F286-R289 VanDerWaalsContact CB-NH2 3.26Å; F286-R289 VanDerWaalsContact CD1-CZ 3.45Å; F286-H303 AromaticContact CD1-NE2 3.44Å; F286-H303 WeakPolarHBondContact CD1-NE2 3.31Å | ||
| 287 | G | 81.4 | Confident | 64.3 | Low | 2 Ų | 2 | 96.7 Ų | 96.7 | 2% | 0.021 | 46% | 0.462 | C | S | . | . | trans | -82.7 | -171.9 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R289 H303 | G287-R289 PolarHBondContact O-N 3.34Å; G287-H303 PolarHBondContact N-CE1 2.92Å | ||
| 288 | W | 91.2 | Very high | 66.6 | Low | 12 Ų | 12 | 93.2 Ų | 93.2 | 5% | 0.045 | 45% | 0.452 | C | S | . | . | trans | -55.2 | 133.1 | 174.9 | -63.5 | 100.5 | 0 | 0 | 0 | 111.9 | L186 E188 P189 H303 F304 L471 K473 C476 L478 | L186-W288 HydrophobicContact CD1-CE3 4.11Å; L186-W288 HydrophobicContact CD2-CE3 3.52Å; L186-W288 HydrophobicContact CD2-CH2 4.38Å; L186-W288 HydrophobicContact CD2-CZ3 3.36Å; L186-W288 HydrophobicContact CG-CE3 3.74Å; L186-W288 HydrophobicContact CG-CZ3 3.96Å; E188-W288 HydrophobicContact CB-CZ3 4.31Å; E188-W288 HydrophobicContact CG-CE3 4.41Å; E188-W288 HydrophobicContact CG-CH2 4.1Å; E188-W288 HydrophobicContact CG-CZ3 3.58Å; P189-W288 HydrophobicContact CG-CD2 3.7Å; P189-W288 HydrophobicContact CG-CE3 4.3Å; P189-W288 HydrophobicContact CG-CG 3.87Å; P189-W288 HydrophobicContact CG-CZ2 4.13Å; W288-H303 WeakPolarHBondContact O-CA 3.45Å; W288-F304 HydrophobicContact CB-CE2 4.49Å; W288-F304 WeakPolarHBondContact CB-O 3.39Å; W288-F304 PolarHBondContact O-N 2.93Å; W288-F304 VanDerWaalsContact O-N 3.15Å; W288-L471 HydrophobicContact CH2-CB 3.82Å; W288-L471 HydrophobicContact CH2-CD1 3.88Å; W288-L471 HydrophobicContact CZ2-CB 3.68Å; W288-L471 HydrophobicContact CZ2-CD1 4.49Å; W288-L471 HydrophobicContact CZ3-CD1 4.13Å; W288-K473 HydrophobicContact CH2-CB 4.1Å; W288-K473 HydrophobicContact CZ2-CB 3.76Å; W288-C476 PolarHBondContact NE1-O 2.93Å; W288-L478 HydrophobicContact CB-CD1 4.47Å; W288-L478 HydrophobicContact CB-CD2 4.4Å; W288-L478 HydrophobicContact CD2-CB 3.9Å; W288-L478 HydrophobicContact CD2-CD2 3.95Å; W288-L478 HydrophobicContact CE3-CD2 4.01Å; W288-L478 HydrophobicContact CG-CB 3.82Å; W288-L478 HydrophobicContact CG-CD2 4.15Å; W288-L478 HydrophobicContact CG-CG 4.41Å; W288-L478 HydrophobicContact CZ2-CB 4.46Å | ||
| 289 | R | 93.7 | Very high | 69.5 | Low | 39 Ų | 39 | 83.3 Ų | 83.3 | 15% | 0.147 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 171 | -178.2 | -76.5 | 177.4 | -70.5 | 177.2 | -1.1 | 110.5 | I187 F286 G287 R300 F304 | I187-R289 HydrophobicContact CB-CB 3.89Å; I187-R289 HydrophobicContact CD1-CB 4.41Å; I187-R289 HydrophobicContact CG2-CB 4.22Å; I187-R289 PolarHBondContact N-O 3.4Å; I187-R289 PolarHBondContact O-N 3.5Å; F286-R289 VanDerWaalsContact CB-NH2 3.26Å; F286-R289 VanDerWaalsContact CD1-CZ 3.45Å; G287-R289 PolarHBondContact O-N 3.34Å; R289-R300 WeakPolarHBondContact CD-O 3.38Å; R289-F304 VanDerWaalsContact C-CE1 3.4Å; R289-F304 VanDerWaalsContact C-CZ 3.4Å; R289-F304 WeakPolarHBondContact O-CZ 3.18Å |
| 290 | A | 92.7 | Very high | 72.1 | Confident | 9 Ų | 9 | 83.1 Ų | 83.1 | 7% | 0.074 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L90 Y183 L292 F304 | L90-A290 HydrophobicContact CD2-CB 3.67Å; Y183-A290 HydrophobicContact CD2-CB 3.89Å; Y183-A290 HydrophobicContact CE2-CB 3.8Å; A290-L292 HydrophobicContact CB-CD2 3.84Å; A290-L292 HydrophobicContact CB-CG 4.25Å; A290-F304 HydrophobicContact CB-CE1 3.64Å; A290-F304 HydrophobicContact CB-CZ 3.84Å |
| 291 | K | 93.2 | Very high | 74.6 | Confident | 123 Ų | 123 | 77.6 Ų | 77.6 | 54% | 0.535 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.8 | 168.4 | -165.6 | 177.1 | -174.9 | 170.3 | 0 | 108.8 | T184 S185 I187 | T184-K291 PolarHBondContact N-O 3.45Å; T184-K291 VanDerWaalsContact OG1-C 3.28Å; T184-K291 WeakPolarHBondContact OG1-CB 3.28Å; T184-K291 WeakPolarHBondContact OG1-CG 3.35Å; T184-K291 PolarHBondContact OG1-O 3.36Å; S185-K291 PolarHBondContact O-N 3.32Å; S185-K291 WeakPolarHBondContact OG-CB 3.28Å; I187-K291 HydrophobicContact CD1-CB 4.01Å; I187-K291 HydrophobicContact CG1-CB 4.06Å |
| 292 | L | 93 | Very high | 77.3 | Confident | 14 Ų | 14 | 69.8 Ų | 69.8 | 7% | 0.073 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.6 | -169.4 | -57.9 | 177.5 | 0 | 0 | 0 | 111.2 | I115 I181 Y183 A290 P294 E295 L299 | I115-L292 HydrophobicContact CD1-CD2 3.65Å; I181-L292 HydrophobicContact CG2-CB 3.87Å; I181-L292 HydrophobicContact CG2-CD1 4.11Å; I181-L292 HydrophobicContact CG2-CD2 4Å; I181-L292 HydrophobicContact CG2-CG 4.2Å; Y183-L292 HydrophobicContact CD2-CD2 4.46Å; A290-L292 HydrophobicContact CB-CD2 3.84Å; A290-L292 HydrophobicContact CB-CG 4.25Å; L292-P294 CarbonylContact C-O 3.59Å; L292-P294 CarbonylContact O-C 3.51Å; L292-E295 WeakPolarHBondContact O-CA 3.41Å; L292-E295 PolarHBondContact O-N 3.21Å; L292-L299 HydrophobicContact CD1-CB 3.56Å; L292-L299 HydrophobicContact CD1-CD1 3.82Å; L292-L299 HydrophobicContact CD1-CG 4.36Å |
| 293 | K | 91.9 | Very high | 79.9 | Confident | 150 Ų | 150 | 64.1 Ų | 64.1 | 65% | 0.652 | 30% | 0.302 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 116.1 | 173.4 | -172.4 | 174.4 | -178.5 | 178.8 | 0 | 110.6 | T182 T184 | T182-K293 WeakPolarHBondContact CB-O 3.16Å; T182-K293 PolarHBondContact N-O 2.88Å; T182-K293 PolarHBondContact O-N 3.34Å; T184-K293 HydrophobicContact CG2-CB 3.86Å |
| 294 | P | 92.5 | Very high | 82.5 | Confident | 74 Ų | 74 | 61 Ų | 61 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | S | Bend | cis | -63.5 | 155.6 | -9.7 | 30.4 | -35.9 | 0 | 0 | 0 | 111.8 | G180 L292 L296 | G180-P294 WeakPolarHBondContact O-CD 3.24Å; L292-P294 CarbonylContact C-O 3.59Å; L292-P294 CarbonylContact O-C 3.51Å; P294-L296 HydrophobicContact CG-CD2 4.47Å; P294-L296 PolarHBondContact O-N 3.08Å; P294-L296 VanDerWaalsContact O-N 3.1Å |
| 295 | E | 84.1 | Confident | 84.4 | Confident | 111 Ų | 111 | 56.5 Ų | 56.5 | 52% | 0.519 | 26% | 0.264 | S | S | . | . | trans | -77.8 | 95 | 177.1 | -171.5 | 177.7 | 169.2 | 0 | 0 | 109.6 | L292 F297 R300 | L292-E295 WeakPolarHBondContact O-CA 3.41Å; L292-E295 PolarHBondContact O-N 3.21Å; E295-F297 PolarHBondContact O-N 2.92Å; E295-R300 HydrophobicContact CG-CB 4.48Å; E295-R300 WeakPolarHBondContact OE1-CD 3.4Å; E295-R300 WeakPolarHBondContact OE1-CG 3.47Å; E295-R300 IonicContact OE1-CZ 3.83Å; E295-R300 IonicContact OE1-NE 2.88Å; E295-R300 PolarHBondContact OE1-NE 2.94Å | ||
| 296 | L | 79.2 | Confident | 86.2 | Confident | 67 Ų | 67 | 50.2 Ų | 50.2 | 35% | 0.351 | 24% | 0.24 | S | C | . | . | trans | -74 | 116 | 171.9 | -69.1 | -155.6 | 0 | 0 | 0 | 110.1 | F178 I181 P294 V298 L299 R300 | F178-L296 HydrophobicContact CD1-CD1 4.17Å; I181-L296 HydrophobicContact CD1-CB 4.28Å; I181-L296 HydrophobicContact CD1-CD1 3.52Å; I181-L296 HydrophobicContact CD1-CG 3.67Å; I181-L296 HydrophobicContact CG1-CD1 4.35Å; I181-L296 HydrophobicContact CG1-CG 4.34Å; P294-L296 HydrophobicContact CG-CD2 4.47Å; P294-L296 PolarHBondContact O-N 3.08Å; P294-L296 VanDerWaalsContact O-N 3.1Å; L296-V298 PolarHBondContact O-N 3.15Å; L296-V298 VanDerWaalsContact O-N 3.11Å; L296-L299 HydrophobicContact CB-CG 4.48Å; L296-L299 CarbonylContact O-C 3.37Å; L296-L299 WeakPolarHBondContact O-CA 3.3Å; L296-L299 PolarHBondContact O-N 2.57Å; L296-R300 PolarHBondContact O-N 3.14Å | ||
| 297 | F | 72 | Confident | 87.4 | Confident | 68 Ų | 68 | 47.9 Ų | 47.9 | 30% | 0.298 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -57.5 | -26 | -178.6 | 173.3 | -94.3 | 0 | 0 | 0 | 114.5 | E295 L299 I629 | E295-F297 PolarHBondContact O-N 2.92Å; F297-L299 VanDerWaalsContact C-N 3.3Å; F297-L299 PolarHBondContact O-N 3.3Å; F297-I629 HydrophobicContact CE1-CB 3.9Å; F297-I629 HydrophobicContact CE1-CG1 3.67Å; F297-I629 HydrophobicContact CE1-CG2 4.05Å; F297-I629 WeakPolarHBondContact CE1-O 3.36Å; F297-I629 HydrophobicContact CZ-CB 4.49Å; F297-I629 HydrophobicContact CZ-CG1 4.09Å |
| 298 | V | 75.4 | Confident | 88.2 | Confident | 95 Ų | 95 | 47.8 Ų | 47.8 | 58% | 0.576 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -64.9 | -32.8 | 171 | 177.1 | 0 | 0 | 0 | 0 | 112.2 | L296 | L296-V298 PolarHBondContact O-N 3.15Å; L296-V298 VanDerWaalsContact O-N 3.11Å |
| 299 | L | 85.5 | Confident | 88.5 | Confident | 9 Ų | 9 | 47.2 Ų | 47.2 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -96.1 | -22.5 | -180 | -59.6 | -179.6 | 0 | 0 | 0 | 113 | I113 I115 F178 I181 L292 L296 F297 N301 F302 | I113-L299 HydrophobicContact CD1-CD2 3.85Å; I113-L299 HydrophobicContact CG2-CD2 4.14Å; I115-L299 HydrophobicContact CG2-CD1 3.9Å; F178-L299 HydrophobicContact CB-CD1 4.42Å; F178-L299 HydrophobicContact CD1-CD1 4.34Å; F178-L299 HydrophobicContact CD2-CD1 4.24Å; F178-L299 HydrophobicContact CD2-CD2 4.31Å; F178-L299 HydrophobicContact CE2-CD2 3.94Å; F178-L299 HydrophobicContact CG-CD1 4.09Å; F178-L299 HydrophobicContact CZ-CD2 4.08Å; I181-L299 HydrophobicContact CD1-CD1 3.56Å; L292-L299 HydrophobicContact CD1-CB 3.56Å; L292-L299 HydrophobicContact CD1-CD1 3.82Å; L292-L299 HydrophobicContact CD1-CG 4.36Å; L296-L299 HydrophobicContact CB-CG 4.48Å; L296-L299 CarbonylContact O-C 3.37Å; L296-L299 WeakPolarHBondContact O-CA 3.3Å; L296-L299 PolarHBondContact O-N 2.57Å; F297-L299 VanDerWaalsContact C-N 3.3Å; F297-L299 PolarHBondContact O-N 3.3Å; L299-N301 PolarHBondContact O-N 3.3Å; L299-F302 WeakPolarHBondContact O-CB 3.47Å; L299-F302 PolarHBondContact O-N 2.76Å |
| 300 | R | 79.8 | Confident | 88.6 | Confident | 125 Ų | 125 | 46.1 Ų | 46.1 | 47% | 0.472 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -46.3 | -36.7 | 175.4 | 179.3 | 177.1 | -154.9 | -135.6 | -4.1 | 113.7 | R289 E295 L296 | R289-R300 WeakPolarHBondContact CD-O 3.38Å; E295-R300 HydrophobicContact CG-CB 4.48Å; E295-R300 WeakPolarHBondContact OE1-CD 3.4Å; E295-R300 WeakPolarHBondContact OE1-CG 3.47Å; E295-R300 IonicContact OE1-CZ 3.83Å; E295-R300 IonicContact OE1-NE 2.88Å; E295-R300 PolarHBondContact OE1-NE 2.94Å; L296-R300 PolarHBondContact O-N 3.14Å |
| 301 | N | 79.1 | Confident | 88.6 | Confident | 45 Ų | 45 | 46.8 Ų | 46.8 | 24% | 0.241 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -114.6 | 24.1 | -179 | -65.7 | -40.8 | 0 | 0 | 0 | 112.8 | L299 R625 | L299-N301 PolarHBondContact O-N 3.3Å; N301-R625 PolarHBondContact O-NH2 2.88Å |
| 302 | F | 85.4 | Confident | 88.3 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 5% | 0.053 | 21% | 0.212 | C | C | . | . | trans | -85.8 | 111.7 | 170.6 | 177.8 | -116.6 | 0 | 0 | 0 | 109.5 | N88 L90 I113 L299 F304 | N88-F302 HydrophobicContact CB-CE2 4.09Å; N88-F302 HydrophobicContact CB-CZ 3.94Å; L90-F302 HydrophobicContact CB-CE1 4.36Å; I113-F302 HydrophobicContact CB-CE1 4.14Å; I113-F302 HydrophobicContact CB-CZ 4.38Å; I113-F302 HydrophobicContact CD1-CD1 3.82Å; I113-F302 HydrophobicContact CD1-CD2 3.8Å; I113-F302 HydrophobicContact CD1-CE1 3.67Å; I113-F302 HydrophobicContact CD1-CE2 3.66Å; I113-F302 HydrophobicContact CD1-CG 3.88Å; I113-F302 HydrophobicContact CD1-CZ 3.58Å; I113-F302 HydrophobicContact CG1-CE1 3.91Å; I113-F302 HydrophobicContact CG1-CE2 4.19Å; I113-F302 HydrophobicContact CG1-CZ 3.72Å; L299-F302 WeakPolarHBondContact O-CB 3.47Å; L299-F302 PolarHBondContact O-N 2.76Å; F302-F304 HydrophobicContact CD1-CB 4.49Å; F302-F304 HydrophobicContact CD1-CD1 4.04Å; F302-F304 HydrophobicContact CE1-CB 3.95Å; F302-F304 HydrophobicContact CE1-CD1 4.22Å; F302-F304 HydrophobicContact CZ-CB 4.45Å | ||
| 303 | H | 88.5 | Confident | 87.7 | Confident | 34 Ų | 34 | 45 Ų | 45 | 16% | 0.157 | 23% | 0.225 | C | C | . | . | trans | -79.6 | 138.7 | 170.6 | -57.9 | 167.2 | 0 | 0 | 0 | 109 | N88 F286 G287 W288 | N88-H303 VanDerWaalsContact CB-O 3.22Å; N88-H303 WeakPolarHBondContact CB-O 3.35Å; F286-H303 AromaticContact CD1-NE2 3.44Å; F286-H303 WeakPolarHBondContact CD1-NE2 3.31Å; G287-H303 PolarHBondContact N-CE1 2.92Å; W288-H303 WeakPolarHBondContact O-CA 3.45Å | ||
| 304 | F | 92.2 | Very high | 86.8 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.009 | 23% | 0.234 | C | C | . | . | trans | -132.8 | 145.4 | 172.3 | 52.9 | -95.7 | 0 | 0 | 0 | 111.5 | N88 L90 L186 W288 R289 A290 F302 L307 L478 | N88-F304 HydrophobicContact CB-CB 4.46Å; N88-F304 CarbonylContact O-C 3.59Å; N88-F304 WeakPolarHBondContact O-CA 3.48Å; N88-F304 WeakPolarHBondContact O-CB 3.31Å; L90-F304 HydrophobicContact CB-CB 4.16Å; L90-F304 HydrophobicContact CB-CD1 3.8Å; L90-F304 HydrophobicContact CB-CD2 4.25Å; L90-F304 HydrophobicContact CB-CE1 4.24Å; L90-F304 HydrophobicContact CB-CG 3.8Å; L90-F304 HydrophobicContact CD2-CD1 3.87Å; L90-F304 HydrophobicContact CD2-CE1 3.5Å; L90-F304 VanDerWaalsContact CD2-CE1 3.5Å; L90-F304 HydrophobicContact CD2-CZ 3.94Å; L90-F304 HydrophobicContact CG-CD1 4.46Å; L186-F304 HydrophobicContact CD1-CE2 3.96Å; L186-F304 HydrophobicContact CD1-CZ 3.97Å; W288-F304 HydrophobicContact CB-CE2 4.49Å; W288-F304 WeakPolarHBondContact CB-O 3.39Å; W288-F304 PolarHBondContact O-N 2.93Å; W288-F304 VanDerWaalsContact O-N 3.15Å; R289-F304 VanDerWaalsContact C-CE1 3.4Å; R289-F304 VanDerWaalsContact C-CZ 3.4Å; R289-F304 WeakPolarHBondContact O-CZ 3.18Å; A290-F304 HydrophobicContact CB-CE1 3.64Å; A290-F304 HydrophobicContact CB-CZ 3.84Å; F302-F304 HydrophobicContact CD1-CB 4.49Å; F302-F304 HydrophobicContact CD1-CD1 4.04Å; F302-F304 HydrophobicContact CE1-CB 3.95Å; F302-F304 HydrophobicContact CE1-CD1 4.22Å; F302-F304 HydrophobicContact CZ-CB 4.45Å; F304-L307 HydrophobicContact CD2-CB 4.29Å; F304-L307 HydrophobicContact CD2-CD1 4.4Å; F304-L307 HydrophobicContact CE2-CB 4.08Å; F304-L307 HydrophobicContact CE2-CD1 3.93Å; F304-L307 HydrophobicContact CE2-CD2 4.19Å; F304-L307 HydrophobicContact CE2-CG 4.32Å; F304-L307 HydrophobicContact CZ-CD1 4.24Å; F304-L478 HydrophobicContact CD2-CD1 3.67Å; F304-L478 HydrophobicContact CE2-CD1 3.87Å; F304-L478 HydrophobicContact CE2-CD2 4.41Å | ||
| 305 | D | 91 | Very high | 86.3 | Confident | 14 Ų | 14 | 46.3 Ų | 46.3 | 8% | 0.075 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -106.6 | -13 | -175.1 | -40.1 | -69 | 0 | 0 | 0 | 110.3 | V87 N88 L478 L479 W603 K605 | V87-D305 HydrophobicContact CG1-CB 4.48Å; N88-D305 WeakPolarHBondContact CB-OD2 3.33Å; N88-D305 PolarHBondContact N-OD2 3.21Å; N88-D305 PolarHBondContact ND2-OD2 3.3Å; N88-D305 PolarHBondContact O-N 3.49Å; D305-L478 WeakPolarHBondContact O-CA 3.15Å; D305-L479 PolarHBondContact O-N 2.93Å; D305-L479 VanDerWaalsContact O-N 3.09Å; D305-W603 HydrophobicContact CB-CH2 4.3Å; D305-W603 HydrophobicContact CB-CZ3 4.39Å; D305-K605 IonicContact OD1-NZ 2.77Å; D305-K605 PolarHBondContact OD1-NZ 2.87Å; D305-K605 IonicContact OD2-NZ 3.28Å |
| 306 | V | 96.2 | Very high | 86.2 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 135.9 | 174.3 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | V87 N88 V89 L90 I308 L479 V512 W603 | V87-V306 HydrophobicContact CG1-CG2 3.72Å; N88-V306 PolarHBondContact O-N 3.42Å; V89-V306 HydrophobicContact CB-CB 4.48Å; V89-V306 HydrophobicContact CG1-CB 4.26Å; V89-V306 HydrophobicContact CG1-CG1 4.21Å; V89-V306 HydrophobicContact CG2-CB 4.16Å; L90-V306 PolarHBondContact N-O 3.41Å; V306-I308 HydrophobicContact CG1-CD1 3.52Å; V306-I308 HydrophobicContact CG1-CG1 3.97Å; V306-L479 CarbonylContact C-O 3.5Å; V306-L479 WeakPolarHBondContact CA-O 3.22Å; V306-L479 HydrophobicContact CG2-CB 4.45Å; V306-V512 HydrophobicContact CG1-CG2 3.8Å; V306-V512 HydrophobicContact CG2-CG1 4.06Å; V306-V512 HydrophobicContact CG2-CG2 4.01Å; V306-W603 HydrophobicContact CG2-CH2 3.82Å; V306-W603 HydrophobicContact CG2-CZ3 4.41Å |
| 307 | L | 97.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 110.5 | 173.6 | -172.2 | 62.7 | 0 | 0 | 0 | 110.4 | L90 I92 Y183 L186 F304 L317 L478 L479 Q480 C481 | L90-L307 HydrophobicContact CB-CD1 3.83Å; L90-L307 HydrophobicContact CD2-CD1 3.82Å; L90-L307 HydrophobicContact CG-CD1 3.89Å; L90-L307 WeakPolarHBondContact O-CA 3.39Å; I92-L307 HydrophobicContact CD1-CD1 3.96Å; I92-L307 HydrophobicContact CD1-CG 4.33Å; I92-L307 HydrophobicContact CG1-CD1 4.06Å; Y183-L307 HydrophobicContact CE2-CD1 4.47Å; Y183-L307 HydrophobicContact CE2-CD2 4.2Å; L186-L307 HydrophobicContact CD1-CD2 4.22Å; F304-L307 HydrophobicContact CD2-CB 4.29Å; F304-L307 HydrophobicContact CD2-CD1 4.4Å; F304-L307 HydrophobicContact CE2-CB 4.08Å; F304-L307 HydrophobicContact CE2-CD1 3.93Å; F304-L307 HydrophobicContact CE2-CD2 4.19Å; F304-L307 HydrophobicContact CE2-CG 4.32Å; F304-L307 HydrophobicContact CZ-CD1 4.24Å; L307-L317 HydrophobicContact CD2-CD1 4.45Å; L307-L317 HydrophobicContact CD2-CD2 3.63Å; L307-L317 HydrophobicContact CG-CD1 4.48Å; L307-L317 HydrophobicContact CG-CD2 4.28Å; L307-L478 HydrophobicContact CB-CD1 4.07Å; L307-L479 PolarHBondContact N-O 2.82Å; L307-Q480 WeakPolarHBondContact O-CA 3.45Å; L307-C481 PolarHBondContact O-N 2.88Å |
| 308 | I | 98.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 123.1 | 178.6 | -52 | -58.8 | 0 | 0 | 0 | 109.4 | V89 L90 V91 I92 L105 V306 C481 I483 | V89-I308 HydrophobicContact CG1-CG1 4.07Å; L90-I308 PolarHBondContact O-N 3.04Å; V91-I308 CarbonylContact C-O 3.55Å; V91-I308 WeakPolarHBondContact CA-O 3.34Å; V91-I308 HydrophobicContact CB-CB 4.49Å; V91-I308 HydrophobicContact CG1-CB 4.29Å; V91-I308 HydrophobicContact CG1-CG2 4.37Å; V91-I308 HydrophobicContact CG2-CB 4.19Å; V91-I308 HydrophobicContact CG2-CG1 4.37Å; I92-I308 PolarHBondContact N-O 3.27Å; L105-I308 HydrophobicContact CD1-CG1 4.21Å; V306-I308 HydrophobicContact CG1-CD1 3.52Å; V306-I308 HydrophobicContact CG1-CG1 3.97Å; I308-C481 HydrophobicContact CD1-CB 3.79Å; I308-I483 HydrophobicContact CG2-CD1 3.57Å; I308-I483 HydrophobicContact CG2-CG1 3.82Å |
| 309 | A | 97 | Very high | 87.8 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 121.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S315 L317 C481 L482 I483 | A309-S315 WeakPolarHBondContact CB-OG 3.24Å; A309-L317 HydrophobicContact CB-CD1 3.6Å; A309-L317 HydrophobicContact CB-CG 3.78Å; A309-C481 PolarHBondContact N-O 2.84Å; A309-L482 HydrophobicContact CB-CD2 4.02Å; A309-I483 PolarHBondContact O-N 3.24Å |
| 310 | A | 96.2 | Very high | 87.9 | Confident | 15 Ų | 15 | 39.1 Ų | 39.1 | 12% | 0.124 | 20% | 0.2 | C | C | . | . | trans | -133.7 | 33.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | I92 I483 | I92-A310 CarbonylContact O-C 3.28Å; I92-A310 VanDerWaalsContact O-C 3.29Å; I92-A310 WeakPolarHBondContact O-CA 3.17Å; I92-A310 PolarHBondContact O-N 3.21Å; A310-I483 HydrophobicContact CB-CD1 3.98Å; A310-I483 HydrophobicContact CB-CG1 3.76Å | ||
| 311 | D | 91.7 | Very high | 88.2 | Confident | 23 Ų | 23 | 36.4 Ų | 36.4 | 12% | 0.123 | 20% | 0.2 | C | C | . | . | trans | -93.7 | 2.4 | -162.6 | 59.9 | -40.7 | 0 | 0 | 0 | 115.6 | I92 K117 S315 C316 | I92-D311 HydrophobicContact CG2-CB 4.14Å; I92-D311 PolarHBondContact O-N 3.38Å; K117-D311 PolarHBondContact NZ-O 3.11Å; D311-S315 WeakPolarHBondContact OD1-CA 3.25Å; D311-S315 PolarHBondContact OD1-OG 3.35Å; D311-C316 PolarHBondContact OD2-N 3.35Å; D311-C316 PolarHBondContact OD2-SG 3.37Å | ||
| 312 | G | 87.3 | Confident | 88.4 | Confident | 19 Ų | 19 | 37.6 Ų | 37.6 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | trans | 108.5 | -167.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | R314 G486 | G312-R314 PolarHBondContact O-N 3.19Å; G312-G486 VanDerWaalsContact O-CA 3.32Å; G312-G486 WeakPolarHBondContact O-CA 3.09Å; G312-G486 PolarHBondContact O-N 3.43Å | ||
| 313 | K | 80.3 | Confident | 88.4 | Confident | 81 Ų | 81 | 41.2 Ų | 41.2 | 35% | 0.352 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -46 | -18.4 | -179.4 | -177.7 | 173.2 | -172 | 146 | 0 | 116.3 | R460 F462 E489 | K313-R460 PolarHBondContact NZ-O 2.75Å; K313-R460 VanDerWaalsContact NZ-O 3.09Å; K313-F462 VanDerWaalsContact CE-CD2 3.45Å; K313-E489 WeakPolarHBondContact CD-OE1 3.11Å; K313-E489 VanDerWaalsContact CE-CD 3.46Å; K313-E489 WeakPolarHBondContact CE-OE1 3.43Å; K313-E489 WeakPolarHBondContact CE-OE2 3.43Å; K313-E489 IonicContact NZ-OE1 2.98Å; K313-E489 PolarHBondContact NZ-OE1 3.48Å; K313-E489 IonicContact NZ-OE2 2.82Å; K313-E489 PolarHBondContact NZ-OE2 2.8Å |
| 314 | R | 73.4 | Confident | 87.9 | Confident | 223 Ų | 223 | 44.3 Ų | 44.3 | 84% | 0.842 | 24% | 0.237 | S | C | * | . | S | Bend | trans | -129.4 | 93.2 | 178.3 | -64.3 | -176.4 | -176.5 | 177.8 | 1.2 | 109.2 | G312 | G312-R314 PolarHBondContact O-N 3.19Š|
| 315 | S | 82.5 | Confident | 87.3 | Confident | 29 Ų | 29 | 50.3 Ų | 50.3 | 20% | 0.203 | 26% | 0.26 | C | S | . | . | trans | -74.9 | 133.5 | -179.6 | -169 | 0 | 0 | 0 | 0 | 112.5 | A309 D311 L317 G318 | A309-S315 WeakPolarHBondContact CB-OG 3.24Å; D311-S315 WeakPolarHBondContact OD1-CA 3.25Å; D311-S315 PolarHBondContact OD1-OG 3.35Å; S315-L317 PolarHBondContact O-N 3.34Å; S315-G318 PolarHBondContact O-N 3.45Å | ||
| 316 | C | 82.1 | Confident | 86.5 | Confident | 54 Ų | 54 | 52.1 Ų | 52.1 | 37% | 0.365 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | -9.5 | 176 | 58.4 | 0 | 0 | 0 | 0 | 115.2 | I92 Y183 D311 G318 | I92-C316 VanDerWaalsContact CD1-SG 3.54Å; Y183-C316 HydrophobicContact CD1-CB 3.98Å; Y183-C316 VanDerWaalsContact CD1-SG 3.55Å; Y183-C316 HydrophobicContact CE1-CB 4.45Å; D311-C316 PolarHBondContact OD2-N 3.35Å; D311-C316 PolarHBondContact OD2-SG 3.37Å; C316-G318 VanDerWaalsContact C-N 3.32Å |
| 317 | L | 88.1 | Confident | 85.9 | Confident | 25 Ų | 25 | 62.2 Ų | 62.2 | 13% | 0.131 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -7.1 | 176.7 | -57 | -171.1 | 0 | 0 | 0 | 113.9 | I92 Y183 L307 A309 S315 F319 Q480 L482 | I92-L317 HydrophobicContact CD1-CD2 4.07Å; Y183-L317 HydrophobicContact CE1-CD2 4.06Å; L307-L317 HydrophobicContact CD2-CD1 4.45Å; L307-L317 HydrophobicContact CD2-CD2 3.63Å; L307-L317 HydrophobicContact CG-CD1 4.48Å; L307-L317 HydrophobicContact CG-CD2 4.28Å; A309-L317 HydrophobicContact CB-CD1 3.6Å; A309-L317 HydrophobicContact CB-CG 3.78Å; S315-L317 PolarHBondContact O-N 3.34Å; L317-F319 VanDerWaalsContact C-N 3.28Å; L317-F319 HydrophobicContact CB-CD2 3.84Å; L317-F319 HydrophobicContact CB-CE2 3.97Å; L317-F319 HydrophobicContact CD1-CE2 4.29Å; L317-F319 PolarHBondContact O-N 3.1Å; L317-Q480 HydrophobicContact CD1-CB 4.27Å; L317-L482 HydrophobicContact CB-CD2 4.41Å; L317-L482 HydrophobicContact CD1-CD2 4.29Å |
| 318 | G | 82.9 | Confident | 85.4 | Confident | 36 Ų | 36 | 65.7 Ų | 65.7 | 37% | 0.371 | 33% | 0.329 | S | S | . | . | trans | 67.3 | 19.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | S315 C316 Y882 | S315-G318 PolarHBondContact O-N 3.45Å; C316-G318 VanDerWaalsContact C-N 3.32Å; G318-Y882 PolarHBondContact O-OH 3.15Å | ||
| 319 | F | 89.5 | Confident | 84.9 | Confident | 25 Ų | 25 | 66.4 Ų | 66.4 | 11% | 0.11 | 34% | 0.335 | C | S | . | . | trans | -56.1 | 147.2 | 173.6 | -82.2 | -127 | 0 | 0 | 0 | 111.2 | L317 N469 Q480 L482 | L317-F319 VanDerWaalsContact C-N 3.28Å; L317-F319 HydrophobicContact CB-CD2 3.84Å; L317-F319 HydrophobicContact CB-CE2 3.97Å; L317-F319 HydrophobicContact CD1-CE2 4.29Å; L317-F319 PolarHBondContact O-N 3.1Å; F319-N469 HydrophobicContact CE1-CB 4.48Å; F319-N469 WeakPolarHBondContact CE2-ND2 3.37Å; F319-N469 HydrophobicContact CZ-CB 4.14Å; F319-N469 WeakPolarHBondContact CZ-ND2 3.47Å; F319-Q480 HydrophobicContact CE2-CB 4.25Å; F319-Q480 HydrophobicContact CZ-CB 4.14Å; F319-L482 HydrophobicContact CB-CD1 3.79Å; F319-L482 HydrophobicContact CD1-CD1 3.81Å; F319-L482 HydrophobicContact CD1-CG 4.11Å; F319-L482 HydrophobicContact CD2-CD1 4.43Å; F319-L482 HydrophobicContact CD2-CD2 4.12Å; F319-L482 HydrophobicContact CD2-CG 4.36Å; F319-L482 HydrophobicContact CE1-CD1 4.49Å; F319-L482 HydrophobicContact CE1-CG 4.33Å; F319-L482 HydrophobicContact CE2-CD2 4.38Å; F319-L482 HydrophobicContact CG-CD1 3.78Å; F319-L482 HydrophobicContact CG-CD2 4.29Å; F319-L482 HydrophobicContact CG-CG 4.13Å | ||
| 320 | P | 87.3 | Confident | 84.7 | Confident | 58 Ų | 58 | 66.4 Ų | 66.4 | 38% | 0.377 | 34% | 0.335 | S | S | . | . | trans | -63.1 | 139.4 | 173.4 | 25.4 | -32.5 | 0 | 0 | 0 | 111.1 | E465 Y466 | P320-E465 HydrophobicContact CB-CB 4.28Å; P320-E465 HydrophobicContact CG-CB 4.02Å; P320-E465 PolarHBondContact O-N 3.03Å; P320-Y466 HydrophobicContact CG-CD2 4.29Å; P320-Y466 HydrophobicContact CG-CE2 4.47Å | ||
| 321 | C | 85.5 | Confident | 84.6 | Confident | 69 Ų | 69 | 65.7 Ų | 65.7 | 47% | 0.466 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 143.1 | 178.5 | -64.9 | 0 | 0 | 0 | 0 | 111.5 | A463 | C321-A463 CarbonylContact C-O 3.59Å; C321-A463 VanDerWaalsContact CA-O 3.3Å; C321-A463 WeakPolarHBondContact CA-O 3.39Å |
| 322 | K | 84.5 | Confident | 84.8 | Confident | 69 Ų | 69 | 64.6 Ų | 64.6 | 30% | 0.3 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 130.4 | 169.2 | -62.8 | 158.1 | -172.2 | 148.3 | 0 | 108.4 | F462 A463 E465 Y953 | K322-F462 WeakPolarHBondContact O-CA 3.32Å; K322-A463 PolarHBondContact N-O 3.22Å; K322-A463 PolarHBondContact O-N 3.43Å; K322-A463 VanDerWaalsContact O-N 3.07Å; K322-E465 PolarHBondContact NZ-O 2.86Å; K322-Y953 VanDerWaalsContact NZ-CD1 3.31Å |
| 323 | E | 84.1 | Confident | 85.2 | Confident | 88 Ų | 88 | 63.8 Ų | 63.8 | 41% | 0.411 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 121.6 | 170.4 | -175.6 | 173.2 | 172.5 | 0 | 0 | 109.3 | R460 F462 | E323-R460 VanDerWaalsContact OE1-CD 3.29Å; E323-R460 WeakPolarHBondContact OE1-CD 3.44Å; E323-R460 VanDerWaalsContact OE1-CG 3.23Å; E323-R460 WeakPolarHBondContact OE1-CG 3.48Å; E323-R460 IonicContact OE1-CZ 3.71Å; E323-R460 IonicContact OE1-NE 2.76Å; E323-R460 IonicContact OE1-NH1 3.54Å; E323-R460 PolarHBondContact OE1-NH1 3.23Å; E323-R460 IonicContact OE2-NH1 3.69Å; E323-F462 HydrophobicContact CB-CD1 4.02Å; E323-F462 HydrophobicContact CB-CE1 3.66Å; E323-F462 HydrophobicContact CB-CZ 4.27Å; E323-F462 VanDerWaalsContact CD-CZ 3.5Å; E323-F462 HydrophobicContact CG-CD1 4.26Å; E323-F462 HydrophobicContact CG-CE1 3.63Å; E323-F462 HydrophobicContact CG-CE2 4.38Å; E323-F462 HydrophobicContact CG-CZ 3.7Å |
| 324 | L | 77.8 | Confident | 86 | Confident | 100 Ų | 100 | 59.9 Ų | 59.9 | 52% | 0.524 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 106.5 | 169.1 | -178.4 | 67.1 | 0 | 0 | 0 | 108.4 | M461 | L324-M461 PolarHBondContact N-O 3.21Å; L324-M461 PolarHBondContact O-N 2.78Å |
| 325 | R | 79.3 | Confident | 87.2 | Confident | 128 Ų | 128 | 49.3 Ų | 49.3 | 48% | 0.483 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 112.1 | 173.7 | -164.9 | 173 | -179.9 | 127 | -4.3 | 109.9 | D407 T459 R460 | R325-D407 IonicContact CZ-OD1 2.98Å; R325-D407 IonicContact NH1-OD1 3.88Å; R325-D407 PolarHBondContact NH1-OD1 3.47Å; R325-D407 IonicContact NH2-OD1 2.85Å; R325-D407 PolarHBondContact NH2-OD1 2.99Å; R325-T459 CarbonylContact C-O 3.52Å; R325-T459 WeakPolarHBondContact CA-O 3.33Å; R325-T459 HydrophobicContact CG-CG2 4.13Å; R325-R460 VanDerWaalsContact NH1-NH2 3.19Å |
| 326 | C | 75.2 | Confident | 87.9 | Confident | 51 Ų | 51 | 47.9 Ų | 47.9 | 35% | 0.345 | 25% | 0.248 | S | C | . | . | trans | -87.4 | -172.8 | 174.9 | -64.7 | 0 | 0 | 0 | 0 | 111 | T459 | C326-T459 PolarHBondContact N-O 2.92Å; C326-T459 WeakPolarHBondContact O-CG2 3.39Å | ||
| 327 | R | 82.6 | Confident | 88.6 | Confident | 213 Ų | 213 | 48.2 Ų | 48.2 | 80% | 0.804 | 25% | 0.245 | S | C | * | . | S | Bend | trans | -59.9 | 153.5 | 160 | -71.6 | -177.8 | 173.7 | 176.8 | -2.7 | 109.8 | A329 | R327-A329 PolarHBondContact O-N 2.69Å; R327-A329 VanDerWaalsContact O-N 3.12Å |
| 328 | L | 87.3 | Confident | 88.9 | Confident | 73 Ų | 73 | 47.9 Ų | 47.9 | 38% | 0.382 | 24% | 0.243 | S | C | . | . | trans | -55.7 | 116.1 | 177.7 | 175.6 | 63.4 | 0 | 0 | 0 | 110.4 | I330 K392 L411 T459 | L328-I330 HydrophobicContact CD1-CD1 4.25Å; L328-I330 HydrophobicContact CD1-CG1 3.97Å; L328-I330 HydrophobicContact CD2-CD1 4.35Å; L328-I330 HydrophobicContact CG-CD1 4.32Å; L328-I330 HydrophobicContact CG-CG1 4.25Å; L328-K392 HydrophobicContact CD2-CB 3.96Å; L328-K392 HydrophobicContact CD2-CD 3.68Å; L328-K392 HydrophobicContact CD2-CG 4.15Å; L328-L411 HydrophobicContact CD1-CD2 4.27Å; L328-L411 HydrophobicContact CD2-CD2 4.1Å; L328-T459 WeakPolarHBondContact CA-OG1 3.43Å; L328-T459 WeakPolarHBondContact CD1-OG1 3.35Å | ||
| 329 | A | 88.1 | Confident | 89.4 | Confident | 14 Ų | 14 | 50.4 Ų | 50.4 | 12% | 0.116 | 24% | 0.242 | C | C | . | . | trans | -130.4 | 116.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | R327 T389 F458 T459 | R327-A329 PolarHBondContact O-N 2.69Å; R327-A329 VanDerWaalsContact O-N 3.12Å; A329-T389 HydrophobicContact CB-CG2 4.29Å; A329-F458 HydrophobicContact CB-CB 3.83Å; A329-F458 PolarHBondContact O-N 2.91Å; A329-T459 PolarHBondContact N-OG1 3.01Å; A329-T459 VanDerWaalsContact N-OG1 3.13Å; A329-T459 PolarHBondContact O-N 2.96Å | ||
| 330 | I | 93.3 | Very high | 89.5 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 118 | -176 | -56.4 | 167.8 | 0 | 0 | 0 | 107.8 | L328 T389 A390 K392 L395 L401 L411 L412 I455 | L328-I330 HydrophobicContact CD1-CD1 4.25Å; L328-I330 HydrophobicContact CD1-CG1 3.97Å; L328-I330 HydrophobicContact CD2-CD1 4.35Å; L328-I330 HydrophobicContact CG-CD1 4.32Å; L328-I330 HydrophobicContact CG-CG1 4.25Å; I330-T389 CarbonylContact O-C 3.52Å; I330-T389 WeakPolarHBondContact O-CA 3.32Å; I330-A390 PolarHBondContact O-N 2.91Å; I330-K392 HydrophobicContact CD1-CB 4.34Å; I330-K392 HydrophobicContact CD1-CG 4.48Å; I330-L395 HydrophobicContact CB-CD1 4.07Å; I330-L395 HydrophobicContact CD1-CD1 3.9Å; I330-L395 HydrophobicContact CG2-CD1 3.65Å; I330-L401 HydrophobicContact CD1-CD1 4.38Å; I330-L411 HydrophobicContact CD1-CD2 3.86Å; I330-L412 HydrophobicContact CD1-CD2 4.25Å; I330-L412 HydrophobicContact CG1-CD1 4.43Å; I330-L412 HydrophobicContact CG1-CD2 4.3Å; I330-L412 HydrophobicContact CG2-CD1 4.1Å; I330-L412 HydrophobicContact CG2-CD2 3.77Å; I330-I455 HydrophobicContact CG2-CD1 3.72Å; I330-I455 HydrophobicContact CG2-CG1 3.71Å |
| 331 | A | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 141.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | M388 I455 F456 F458 | A331-M388 CarbonylContact C-O 3.5Å; A331-M388 VanDerWaalsContact CA-O 3.28Å; A331-M388 WeakPolarHBondContact CA-O 3.49Å; A331-I455 CarbonylContact O-C 3.57Å; A331-I455 WeakPolarHBondContact O-CA 3.46Å; A331-F456 HydrophobicContact CB-CB 4.49Å; A331-F456 PolarHBondContact N-O 3.38Å; A331-F456 PolarHBondContact O-N 3.16Å; A331-F458 HydrophobicContact CB-CD2 3.45Å; A331-F458 VanDerWaalsContact CB-CD2 3.45Å; A331-F458 HydrophobicContact CB-CE1 4.35Å; A331-F458 HydrophobicContact CB-CE2 3.26Å; A331-F458 HydrophobicContact CB-CG 4.09Å; A331-F458 HydrophobicContact CB-CZ 3.75Å |
| 332 | I | 96.4 | Very high | 90 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 131.3 | 172.6 | -62.9 | 166.5 | 0 | 0 | 0 | 107.2 | V334 V387 M388 A390 L395 L422 Y425 V453 I455 | I332-V334 HydrophobicContact CG2-CG2 4Å; I332-V387 WeakPolarHBondContact O-CA 3.2Å; I332-M388 HydrophobicContact CB-CG 3.83Å; I332-M388 HydrophobicContact CB-SD 4.29Å; I332-M388 HydrophobicContact CG2-SD 4.49Å; I332-M388 PolarHBondContact N-O 3.33Å; I332-M388 PolarHBondContact O-N 3.04Å; I332-A390 HydrophobicContact CD1-CB 4.38Å; I332-L395 HydrophobicContact CD1-CD2 3.78Å; I332-L422 HydrophobicContact CD1-CD1 3.63Å; I332-L422 HydrophobicContact CG1-CD1 3.85Å; I332-L422 HydrophobicContact CG2-CD1 3.95Å; I332-Y425 HydrophobicContact CD1-CD1 3.91Å; I332-Y425 HydrophobicContact CD1-CE1 3.98Å; I332-V453 HydrophobicContact CG2-CG2 3.94Å; I332-I455 HydrophobicContact CG1-CD1 4.13Å; I332-I455 HydrophobicContact CG1-CG1 3.98Å |
| 333 | T | 96.1 | Very high | 90.2 | Very high | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.012 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 139.4 | 169.5 | 71.3 | 0 | 0 | 0 | 0 | 110.4 | N125 Y385 F386 V387 V453 D454 F456 W492 | N125-T333 WeakPolarHBondContact ND2-CB 3.34Å; N125-T333 PolarHBondContact ND2-OG1 3.39Å; T333-Y385 HydrophobicContact CG2-CE2 4.47Å; T333-F386 CarbonylContact C-O 3.55Å; T333-F386 WeakPolarHBondContact CA-O 3.45Å; T333-V387 HydrophobicContact CG2-CB 4.09Å; T333-V387 HydrophobicContact CG2-CG2 3.86Å; T333-V453 WeakPolarHBondContact O-CA 3.28Å; T333-D454 PolarHBondContact N-O 3.37Å; T333-D454 PolarHBondContact O-N 3.28Å; T333-D454 VanDerWaalsContact O-N 3.13Å; T333-F456 HydrophobicContact CG2-CD2 4.15Å; T333-F456 HydrophobicContact CG2-CE2 4Å; T333-F456 WeakPolarHBondContact OG1-CE2 3.38Å; T333-W492 HydrophobicContact CG2-CE3 4.12Å; T333-W492 HydrophobicContact CG2-CZ3 3.85Å |
| 334 | V | 97.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 138.7 | -174.7 | -159.3 | 0 | 0 | 0 | 0 | 109.7 | I332 F336 Y385 F386 M388 A426 F443 V453 | I332-V334 HydrophobicContact CG2-CG2 4Å; V334-F336 HydrophobicContact CB-CE2 4.24Å; V334-F336 HydrophobicContact CG1-CD2 4.14Å; V334-F336 HydrophobicContact CG1-CE1 4.05Å; V334-F336 HydrophobicContact CG1-CE2 3.53Å; V334-F336 HydrophobicContact CG1-CZ 3.5Å; V334-Y385 WeakPolarHBondContact O-CA 3.37Å; V334-F386 HydrophobicContact CB-CB 4.21Å; V334-F386 HydrophobicContact CG2-CB 4.3Å; V334-F386 PolarHBondContact N-O 2.93Å; V334-F386 PolarHBondContact O-N 3Å; V334-M388 HydrophobicContact CG2-CE 4.06Å; V334-A426 HydrophobicContact CG1-CB 4.01Å; V334-A426 HydrophobicContact CG2-CB 3.67Å; V334-F443 HydrophobicContact CG1-CD1 4.07Å; V334-F443 HydrophobicContact CG1-CE1 3.69Å; V334-V453 HydrophobicContact CG1-CB 4.26Å; V334-V453 HydrophobicContact CG1-CG2 4.36Å; V334-V453 HydrophobicContact CG2-CG2 4.1Å |
| 335 | N | 97.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.4 | 167 | -64.6 | -87.4 | 0 | 0 | 0 | 110 | N125 T383 A444 D452 | N125-N335 PolarHBondContact OD1-ND2 2.83Å; N335-T383 HydrophobicContact CB-CG2 3.99Å; N335-T383 PolarHBondContact OD1-OG1 3.05Å; N335-A444 HydrophobicContact CB-CB 3.87Å; N335-A444 WeakPolarHBondContact O-CB 3.18Å; N335-A444 PolarHBondContact O-N 3.36Å; N335-D452 HydrophobicContact CB-CB 4.1Å; N335-D452 WeakPolarHBondContact CB-OD2 3.5Å; N335-D452 PolarHBondContact N-O 3.11Å; N335-D452 PolarHBondContact ND2-OD2 3.28Å; N335-D452 VanDerWaalsContact ND2-OD2 3.07Å |
| 336 | F | 97.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 155.4 | 164.9 | -51.4 | -82.7 | 0 | 0 | 0 | 110.6 | V334 N338 T383 H384 F386 K427 A430 L441 D442 F443 | V334-F336 HydrophobicContact CB-CE2 4.24Å; V334-F336 HydrophobicContact CG1-CD2 4.14Å; V334-F336 HydrophobicContact CG1-CE1 4.05Å; V334-F336 HydrophobicContact CG1-CE2 3.53Å; V334-F336 HydrophobicContact CG1-CZ 3.5Å; F336-N338 PolarHBondContact O-N 3.33Å; F336-T383 CarbonylContact O-C 3.4Å; F336-T383 WeakPolarHBondContact O-CA 3.42Å; F336-T383 VanDerWaalsContact O-CB 3.29Å; F336-T383 WeakPolarHBondContact O-CB 3.39Å; F336-H384 HydrophobicContact CB-CB 4.18Å; F336-H384 PolarHBondContact N-O 2.69Å; F336-H384 PolarHBondContact O-N 2.69Å; F336-F386 AromaticContact CD2-CD2 3.89Å; F336-F386 HydrophobicContact CD2-CD2 3.89Å; F336-F386 AromaticContact CD2-CE2 3.84Å; F336-F386 HydrophobicContact CD2-CE2 3.84Å; F336-F386 AromaticContact CE2-CD2 3.81Å; F336-F386 HydrophobicContact CE2-CD2 3.81Å; F336-F386 AromaticContact CE2-CE2 3.94Å; F336-F386 HydrophobicContact CE2-CE2 3.94Å; F336-K427 HydrophobicContact CE1-CG 3.82Å; F336-K427 HydrophobicContact CZ-CG 4.14Å; F336-A430 HydrophobicContact CD2-CB 4.49Å; F336-A430 HydrophobicContact CE2-CB 3.53Å; F336-A430 HydrophobicContact CZ-CB 3.97Å; F336-L441 VanDerWaalsContact CD1-C 3.49Å; F336-L441 HydrophobicContact CD1-CB 3.85Å; F336-L441 HydrophobicContact CD1-CD2 4.34Å; F336-L441 WeakPolarHBondContact CD1-O 3.38Å; F336-L441 HydrophobicContact CD2-CD2 3.92Å; F336-L441 HydrophobicContact CE1-CB 3.78Å; F336-L441 HydrophobicContact CE1-CD2 4.43Å; F336-L441 HydrophobicContact CE2-CD2 4.03Å; F336-L441 HydrophobicContact CG-CB 4.39Å; F336-L441 HydrophobicContact CG-CD2 4.07Å; F336-L441 HydrophobicContact CZ-CB 4.27Å; F336-L441 HydrophobicContact CZ-CD2 4.27Å; F336-D442 CarbonylContact C-O 3.58Å; F336-D442 VanDerWaalsContact CA-O 3.27Å; F336-D442 WeakPolarHBondContact CA-O 3.28Å; F336-D442 WeakPolarHBondContact CB-O 3.5Å; F336-F443 AromaticContact CD1-CD1 3.76Å; F336-F443 HydrophobicContact CD1-CD1 3.76Å; F336-F443 HydrophobicContact CD1-CE1 4.04Å; F336-F443 HydrophobicContact CD1-CG 4.27Å; F336-F443 AromaticContact CE1-CD1 3.56Å; F336-F443 HydrophobicContact CE1-CD1 3.56Å; F336-F443 AromaticContact CE1-CE1 3.33Å; F336-F443 HydrophobicContact CE1-CE1 3.33Å; F336-F443 HydrophobicContact CE1-CG 4.27Å; F336-F443 AromaticContact CE1-CZ 3.88Å; F336-F443 HydrophobicContact CE1-CZ 3.88Å; F336-F443 HydrophobicContact CZ-CD1 4.42Å; F336-F443 AromaticContact CZ-CE1 3.92Å; F336-F443 HydrophobicContact CZ-CE1 3.92Å |
| 337 | I | 96.5 | Very high | 92.4 | Very high | 60 Ų | 60 | 49.9 Ų | 49.9 | 31% | 0.308 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 123.8 | 175.9 | -61.5 | 170.4 | 0 | 0 | 0 | 108.4 | Y339 H384 D442 A444 | I337-Y339 HydrophobicContact CB-CE1 4.45Å; I337-Y339 HydrophobicContact CB-CE2 3.96Å; I337-Y339 HydrophobicContact CG2-CD1 3.93Å; I337-Y339 HydrophobicContact CG2-CD2 4.15Å; I337-Y339 HydrophobicContact CG2-CE1 3.61Å; I337-Y339 HydrophobicContact CG2-CE2 3.87Å; I337-Y339 HydrophobicContact CG2-CG 4.17Å; I337-H384 PolarHBondContact O-CD2 2.88Å; I337-D442 HydrophobicContact CD1-CB 4.3Å; I337-D442 PolarHBondContact N-O 2.87Å; I337-A444 HydrophobicContact CG1-CB 4.39Å |
| 338 | N | 94.6 | Very high | 92.7 | Very high | 18 Ų | 18 | 46.1 Ų | 46.1 | 10% | 0.096 | 25% | 0.253 | C | S | . | . | trans | -87.8 | 106.1 | 169.2 | -176.7 | -10.4 | 0 | 0 | 0 | 108.2 | F336 H340 D381 | F336-N338 PolarHBondContact O-N 3.33Å; N338-H340 PolarHBondContact ND2-ND1 3.2Å; N338-H340 PolarHBondContact O-N 2.8Å; N338-H340 PolarHBondContact OD1-N 3.12Å; N338-H340 PolarHBondContact OD1-ND1 3Å; N338-D381 PolarHBondContact ND2-O 3.26Å | ||
| 339 | Y | 93.6 | Very high | 92.9 | Very high | 90 Ų | 90 | 44.4 Ų | 44.4 | 35% | 0.353 | 24% | 0.243 | S | C | . | . | trans | -78.3 | -2 | 179.8 | -67.5 | -76.7 | 0 | 0 | 0 | 113 | I337 T341 E344 R440 D442 | I337-Y339 HydrophobicContact CB-CE1 4.45Å; I337-Y339 HydrophobicContact CB-CE2 3.96Å; I337-Y339 HydrophobicContact CG2-CD1 3.93Å; I337-Y339 HydrophobicContact CG2-CD2 4.15Å; I337-Y339 HydrophobicContact CG2-CE1 3.61Å; I337-Y339 HydrophobicContact CG2-CE2 3.87Å; I337-Y339 HydrophobicContact CG2-CG 4.17Å; Y339-T341 PolarHBondContact O-N 3.28Å; Y339-E344 WeakPolarHBondContact CB-OE2 3.3Å; Y339-E344 PolarHBondContact N-OE1 3.01Å; Y339-E344 PolarHBondContact N-OE2 2.79Å; Y339-R440 HydrophobicContact CE2-CB 4.36Å; Y339-R440 VanDerWaalsContact CZ-NH2 3.33Å; Y339-R440 PolarHBondContact OH-NH2 3.09Å; Y339-R440 VanDerWaalsContact OH-NH2 3.12Å; Y339-D442 HydrophobicContact CE2-CB 4.12Å; Y339-D442 WeakPolarHBondContact OH-CB 3.36Å; Y339-D442 PolarHBondContact OH-OD2 3.45Å | ||
| 340 | H | 90.4 | Very high | 92.8 | Very high | 104 Ų | 104 | 45.1 Ų | 45.1 | 48% | 0.481 | 25% | 0.245 | S | C | . | . | trans | 57.5 | 29.6 | 179.2 | -60.3 | -15.8 | 0 | 0 | 0 | 113.8 | K148 N338 E344 | K148-H340 PolarHBondContact NZ-NE2 2.94Å; N338-H340 PolarHBondContact ND2-ND1 3.2Å; N338-H340 PolarHBondContact O-N 2.8Å; N338-H340 PolarHBondContact OD1-N 3.12Å; N338-H340 PolarHBondContact OD1-ND1 3Å; H340-E344 PolarHBondContact N-OE2 2.95Å | ||
| 341 | T | 92.7 | Very high | 91.9 | Very high | 60 Ų | 60 | 47.7 Ų | 47.7 | 37% | 0.368 | 26% | 0.263 | S | S | . | . | trans | -69.7 | 157.2 | 173 | 64.4 | 0 | 0 | 0 | 0 | 111.6 | Y339 A343 E344 A345 | Y339-T341 PolarHBondContact O-N 3.28Å; T341-A343 PolarHBondContact O-N 3.02Å; T341-E344 VanDerWaalsContact CB-OE2 3.28Å; T341-E344 WeakPolarHBondContact CB-OE2 3.32Å; T341-E344 VanDerWaalsContact CG2-OE2 3.32Å; T341-E344 WeakPolarHBondContact CG2-OE2 3.17Å; T341-E344 PolarHBondContact N-OE2 3Å; T341-E344 PolarHBondContact O-N 2.97Å; T341-E344 VanDerWaalsContact OG1-CG 3.3Å; T341-E344 WeakPolarHBondContact OG1-CG 3.3Å; T341-E344 PolarHBondContact OG1-N 3.02Å; T341-E344 PolarHBondContact OG1-OE2 2.86Å; T341-A345 WeakPolarHBondContact O-CB 3.02Å; T341-A345 PolarHBondContact O-N 2.7Å | ||
| 342 | P | 90.6 | Very high | 90.8 | Very high | 103 Ų | 103 | 49.3 Ų | 49.3 | 67% | 0.669 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -58.4 | -33 | 175.6 | -26.4 | 35.9 | 0 | 0 | 0 | 113.9 | A345 Q346 | P342-A345 PolarHBondContact O-N 2.94Å; P342-Q346 WeakPolarHBondContact O-CG 3.21Å; P342-Q346 PolarHBondContact O-N 3.01Å |
| 343 | A | 90.2 | Very high | 89.7 | Confident | 54 Ų | 54 | 51.6 Ų | 51.6 | 45% | 0.446 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.5 | -50.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | T341 A345 Q346 V347 | T341-A343 PolarHBondContact O-N 3.02Å; A343-A345 PolarHBondContact O-N 3Å; A343-Q346 PolarHBondContact O-N 2.81Å; A343-V347 PolarHBondContact O-N 3.22Å |
| 344 | E | 92.4 | Very high | 88.8 | Confident | 13 Ų | 13 | 51.7 Ų | 51.7 | 6% | 0.061 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -56.7 | -37.8 | 172.6 | -71.8 | 166.9 | 106.1 | 0 | 0 | 111.8 | Y339 H340 T341 Q346 V347 K380 H384 L438 | Y339-E344 WeakPolarHBondContact CB-OE2 3.3Å; Y339-E344 PolarHBondContact N-OE1 3.01Å; Y339-E344 PolarHBondContact N-OE2 2.79Å; H340-E344 PolarHBondContact N-OE2 2.95Å; T341-E344 VanDerWaalsContact CB-OE2 3.28Å; T341-E344 WeakPolarHBondContact CB-OE2 3.32Å; T341-E344 VanDerWaalsContact CG2-OE2 3.32Å; T341-E344 WeakPolarHBondContact CG2-OE2 3.17Å; T341-E344 PolarHBondContact N-OE2 3Å; T341-E344 PolarHBondContact O-N 2.97Å; T341-E344 VanDerWaalsContact OG1-CG 3.3Å; T341-E344 WeakPolarHBondContact OG1-CG 3.3Å; T341-E344 PolarHBondContact OG1-N 3.02Å; T341-E344 PolarHBondContact OG1-OE2 2.86Å; E344-Q346 PolarHBondContact O-N 2.9Å; E344-V347 PolarHBondContact O-N 3.33Å; E344-K380 WeakPolarHBondContact O-CD 3.3Å; E344-K380 VanDerWaalsContact O-CE 3.29Å; E344-K380 WeakPolarHBondContact O-CE 3.29Å; E344-K380 PolarHBondContact O-NZ 2.91Å; E344-H384 IonicContact OE1-CD2 3.68Å; E344-H384 IonicContact OE1-CE1 2.73Å; E344-H384 IonicContact OE1-NE2 3.41Å; E344-H384 PolarHBondContact OE1-NE2 3.46Å; E344-L438 HydrophobicContact CG-CD2 4.09Å |
| 345 | A | 88.8 | Confident | 88 | Confident | 67 Ų | 67 | 53.4 Ų | 53.4 | 55% | 0.554 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.3 | -26.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T341 P342 A343 K380 | T341-A345 WeakPolarHBondContact O-CB 3.02Å; T341-A345 PolarHBondContact O-N 2.7Å; P342-A345 PolarHBondContact O-N 2.94Å; A343-A345 PolarHBondContact O-N 3Å; A345-K380 PolarHBondContact O-NZ 3.44Å |
| 346 | Q | 90.3 | Very high | 87 | Confident | 159 Ų | 159 | 56.5 Ų | 56.5 | 74% | 0.743 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -84.8 | -24.6 | 179.9 | -73.3 | 172.5 | 1.6 | 0 | 0 | 114.9 | P342 A343 E344 E348 | P342-Q346 WeakPolarHBondContact O-CG 3.21Å; P342-Q346 PolarHBondContact O-N 3.01Å; A343-Q346 PolarHBondContact O-N 2.81Å; E344-Q346 PolarHBondContact O-N 2.9Å; Q346-E348 PolarHBondContact O-N 3.26Å |
| 347 | V | 91.1 | Very high | 86.2 | Confident | 16 Ų | 16 | 63 Ų | 63 | 10% | 0.097 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -57.3 | 127 | -178.7 | -172 | 0 | 0 | 0 | 0 | 111.3 | A343 E344 Y378 K380 T434 A437 L438 | A343-V347 PolarHBondContact O-N 3.22Å; E344-V347 PolarHBondContact O-N 3.33Å; V347-Y378 HydrophobicContact CG1-CE1 3.92Å; V347-K380 VanDerWaalsContact O-CE 3.25Å; V347-K380 WeakPolarHBondContact O-CE 3.19Å; V347-K380 PolarHBondContact O-NZ 2.94Å; V347-T434 HydrophobicContact CG1-CG2 3.99Å; V347-A437 HydrophobicContact CG1-CB 4.48Å; V347-A437 HydrophobicContact CG2-CB 3.77Å; V347-L438 HydrophobicContact CG2-CD2 3.91Å; V347-L438 HydrophobicContact CG2-CG 4.38Å |
| 348 | E | 89.2 | Confident | 85.6 | Confident | 135 Ų | 135 | 62.9 Ų | 62.9 | 63% | 0.631 | 35% | 0.346 | S | S | * | . | P | Polyproline II helix | trans | -75.1 | 141.8 | -179.6 | -64.5 | -158.3 | 145.5 | 0 | 0 | 112.4 | Q346 Y378 R1379 | Q346-E348 PolarHBondContact O-N 3.26Å; E348-Y378 WeakPolarHBondContact O-CD1 3.38Å; E348-R1379 IonicContact OE1-CZ 2.77Å; E348-R1379 IonicContact OE1-NH2 3.92Å; E348-R1379 PolarHBondContact OE1-NH2 2.91Å |
| 349 | E | 90.6 | Very high | 85.3 | Confident | 36 Ų | 36 | 68 Ų | 68 | 17% | 0.168 | 37% | 0.369 | C | S | . | . | P | Polyproline II helix | trans | -78 | 153.2 | 178.1 | -65.8 | 161.8 | 151.5 | 0 | 0 | 111.5 | H156 K380 K1383 | H156-E349 IonicContact NE2-OE1 2.68Å; H156-E349 PolarHBondContact NE2-OE1 3.19Å; E349-K380 HydrophobicContact CG-CB 4.09Å; E349-K1383 IonicContact OE2-NZ 2.68Å; E349-K1383 PolarHBondContact OE2-NZ 3.06Å |
| 350 | I | 85.9 | Confident | 85.1 | Confident | 29 Ų | 29 | 67.6 Ų | 67.6 | 15% | 0.149 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 95.8 | -176.9 | -56.3 | 177 | 0 | 0 | 0 | 108.3 | G352 V353 V377 Y378 V433 | I350-G352 PolarHBondContact O-N 3.22Å; I350-V353 HydrophobicContact CG2-CB 3.59Å; I350-V353 HydrophobicContact CG2-CG2 3.49Å; I350-V353 VanDerWaalsContact CG2-CG2 3.49Å; I350-V377 CarbonylContact O-C 3.12Å; I350-V377 VanDerWaalsContact O-CA 3.28Å; I350-V377 WeakPolarHBondContact O-CA 3.46Å; I350-V377 WeakPolarHBondContact O-CG1 3.47Å; I350-Y378 PolarHBondContact N-O 3.19Å; I350-Y378 PolarHBondContact O-N 2.83Å; I350-V433 HydrophobicContact CD1-CG1 3.28Å |
| 351 | S | 75.1 | Confident | 85.1 | Confident | 56 Ų | 56 | 64.1 Ų | 64.1 | 39% | 0.392 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 31 | -175.9 | -53.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 352 | G | 70.1 | Confident | 85.2 | Confident | 34 Ų | 34 | 61.2 Ų | 61.2 | 35% | 0.351 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 100.9 | 68.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | I350 I376 | I350-G352 PolarHBondContact O-N 3.22Å; G352-I376 WeakPolarHBondContact CA-O 3.32Å |
| 353 | V | 71.7 | Confident | 85.2 | Confident | 47 Ų | 47 | 59 Ų | 59 | 29% | 0.285 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 144.6 | 166.5 | 165.5 | 0 | 0 | 0 | 0 | 109.2 | I350 N358 F361 F362 N375 I376 | I350-V353 HydrophobicContact CG2-CB 3.59Å; I350-V353 HydrophobicContact CG2-CG2 3.49Å; I350-V353 VanDerWaalsContact CG2-CG2 3.49Å; V353-N358 HydrophobicContact CG1-CB 4.15Å; V353-F361 HydrophobicContact CG1-CD1 4.04Å; V353-F361 HydrophobicContact CG1-CE1 4.34Å; V353-F362 HydrophobicContact CG1-CE2 3.73Å; V353-F362 HydrophobicContact CG1-CZ 3.93Å; V353-N375 WeakPolarHBondContact O-CA 3.19Å; V353-I376 PolarHBondContact N-O 3.11Å; V353-I376 PolarHBondContact O-N 2.97Å; V353-I376 VanDerWaalsContact O-O 3.14Å |
| 354 | A | 77.1 | Confident | 85.4 | Confident | 5 Ų | 5 | 62 Ų | 62 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.9 | 132.3 | -145 | 0 | 0 | 0 | 0 | 0 | 110.5 | I356 F357 N358 T1225 | A354-I356 VanDerWaalsContact C-N 3.31Å; A354-I356 PolarHBondContact O-N 2.85Å; A354-F357 HydrophobicContact CB-CD2 3.79Å; A354-F357 PolarHBondContact O-N 3.26Å; A354-N358 PolarHBondContact O-N 3.11Å; A354-T1225 HydrophobicContact CB-CG2 3.7Å; A354-T1225 VanDerWaalsContact CB-OG1 3.31Å; A354-T1225 WeakPolarHBondContact CB-OG1 3.45Å |
| 355 | R | 80.9 | Confident | 85.4 | Confident | 36 Ų | 36 | 61.4 Ų | 61.4 | 14% | 0.136 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -35.8 | -166.6 | -162.8 | 177.5 | -158.1 | 127.7 | -3.1 | 113.7 | F357 Q359 F362 D372 L373 E374 | R355-F357 VanDerWaalsContact C-N 3.26Å; R355-F357 PolarHBondContact O-N 3.02Å; R355-Q359 WeakPolarHBondContact O-CA 3.33Å; R355-Q359 WeakPolarHBondContact O-CG 3.5Å; R355-Q359 PolarHBondContact O-N 3.08Å; R355-F362 HydrophobicContact CB-CD2 3.97Å; R355-F362 HydrophobicContact CB-CE2 4.38Å; R355-F362 HydrophobicContact CB-CG 4.27Å; R355-F362 HydrophobicContact CG-CB 4Å; R355-F362 HydrophobicContact CG-CD2 4.09Å; R355-F362 HydrophobicContact CG-CG 4.15Å; R355-D372 IonicContact CZ-OD1 2.71Å; R355-D372 IonicContact CZ-OD2 2.74Å; R355-D372 IonicContact NH1-OD1 2.7Å; R355-D372 PolarHBondContact NH1-OD1 3.07Å; R355-D372 IonicContact NH1-OD2 3.43Å; R355-D372 PolarHBondContact NH1-OD2 3.29Å; R355-D372 IonicContact NH2-OD1 2.69Å; R355-D372 PolarHBondContact NH2-OD1 3.04Å; R355-D372 IonicContact NH2-OD2 3.49Å; R355-L373 PolarHBondContact NH1-O 2.93Å; R355-E374 WeakPolarHBondContact CB-O 3.44Å; R355-E374 PolarHBondContact N-O 3.27Å |
| 356 | I | 78.3 | Confident | 85.7 | Confident | 65 Ų | 65 | 59.4 Ų | 59.4 | 33% | 0.333 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -47 | 175.4 | -39.2 | 168.2 | 0 | 0 | 0 | 110.9 | A354 C1223 T1225 | A354-I356 VanDerWaalsContact C-N 3.31Å; A354-I356 PolarHBondContact O-N 2.85Å; I356-C1223 WeakPolarHBondContact CD1-O 3.43Å; I356-C1223 HydrophobicContact CG1-CB 3.78Å; I356-C1223 VanDerWaalsContact CG1-O 3.25Å; I356-C1223 WeakPolarHBondContact CG1-O 3.28Å; I356-T1225 WeakPolarHBondContact CD1-OG1 3.15Å; I356-T1225 VanDerWaalsContact CG1-OG1 3.29Å; I356-T1225 WeakPolarHBondContact CG1-OG1 3.4Å |
| 357 | F | 79.7 | Confident | 85.8 | Confident | 136 Ų | 136 | 57.9 Ų | 57.9 | 60% | 0.596 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -19.9 | -167.7 | -59.3 | -65.7 | 0 | 0 | 0 | 113.7 | A354 R355 | A354-F357 HydrophobicContact CB-CD2 3.79Å; A354-F357 PolarHBondContact O-N 3.26Å; R355-F357 VanDerWaalsContact C-N 3.26Å; R355-F357 PolarHBondContact O-N 3.02Å |
| 358 | N | 84.5 | Confident | 86 | Confident | 58 Ų | 58 | 62.1 Ų | 62.1 | 31% | 0.31 | 33% | 0.333 | S | S | . | . | trans | -141.9 | 54.4 | -178.4 | -162.3 | -8.9 | 0 | 0 | 0 | 112.1 | V353 A354 S360 F361 F362 | V353-N358 HydrophobicContact CG1-CB 4.15Å; A354-N358 PolarHBondContact O-N 3.11Å; N358-S360 PolarHBondContact O-N 2.86Å; N358-S360 PolarHBondContact OD1-OG 2.76Å; N358-F361 HydrophobicContact CB-CB 4.27Å; N358-F361 WeakPolarHBondContact ND2-CB 3.37Å; N358-F361 PolarHBondContact O-N 3.42Å; N358-F361 VanDerWaalsContact O-N 3.1Å; N358-F361 VanDerWaalsContact OD1-CB 3.23Å; N358-F361 WeakPolarHBondContact OD1-CB 3.49Å; N358-F361 PolarHBondContact OD1-N 2.85Å; N358-F362 VanDerWaalsContact O-CD2 3.32Å; N358-F362 WeakPolarHBondContact O-CD2 3.23Å; N358-F362 PolarHBondContact O-N 3.11Å | ||
| 359 | Q | 87.6 | Confident | 86.2 | Confident | 126 Ų | 126 | 56.7 Ų | 56.7 | 59% | 0.589 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -52.3 | -40.1 | -178.3 | -64.2 | -177.6 | 29.4 | 0 | 0 | 112.4 | R355 F361 F362 S363 | R355-Q359 WeakPolarHBondContact O-CA 3.33Å; R355-Q359 WeakPolarHBondContact O-CG 3.5Å; R355-Q359 PolarHBondContact O-N 3.08Å; Q359-F361 PolarHBondContact O-N 3.49Å; Q359-F362 PolarHBondContact O-N 3.44Å; Q359-S363 WeakPolarHBondContact O-CB 3.27Å; Q359-S363 PolarHBondContact O-N 2.81Å; Q359-S363 PolarHBondContact O-OG 2.82Å; Q359-S363 VanDerWaalsContact O-OG 3.12Å |
| 360 | S | 90.2 | Very high | 86.4 | Confident | 81 Ų | 81 | 56.4 Ų | 56.4 | 57% | 0.566 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -63.5 | -35.1 | 179.8 | 51.2 | 0 | 0 | 0 | 0 | 113.6 | N358 R364 | N358-S360 PolarHBondContact O-N 2.86Å; N358-S360 PolarHBondContact OD1-OG 2.76Å; S360-R364 WeakPolarHBondContact O-CB 3.49Å; S360-R364 WeakPolarHBondContact O-CG 3.45Å; S360-R364 PolarHBondContact O-N 2.68Å; S360-R364 VanDerWaalsContact O-N 3.13Å |
| 361 | F | 91 | Very high | 86.9 | Confident | 30 Ų | 30 | 55 Ų | 55 | 13% | 0.132 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.8 | -48 | 172.3 | 171.4 | -100.9 | 0 | 0 | 0 | 112.1 | V353 N358 Q359 R364 L365 I376 Y432 V433 | V353-F361 HydrophobicContact CG1-CD1 4.04Å; V353-F361 HydrophobicContact CG1-CE1 4.34Å; N358-F361 HydrophobicContact CB-CB 4.27Å; N358-F361 WeakPolarHBondContact ND2-CB 3.37Å; N358-F361 PolarHBondContact O-N 3.42Å; N358-F361 VanDerWaalsContact O-N 3.1Å; N358-F361 VanDerWaalsContact OD1-CB 3.23Å; N358-F361 WeakPolarHBondContact OD1-CB 3.49Å; N358-F361 PolarHBondContact OD1-N 2.85Å; Q359-F361 PolarHBondContact O-N 3.49Å; F361-R364 PolarHBondContact O-N 3.13Å; F361-L365 WeakPolarHBondContact O-CB 3.26Å; F361-L365 PolarHBondContact O-N 2.9Å; F361-I376 HydrophobicContact CE1-CG2 4.24Å; F361-Y432 HydrophobicContact CE2-CD1 4.38Å; F361-Y432 AromaticContact CE2-CE1 4Å; F361-Y432 HydrophobicContact CE2-CE1 4Å; F361-Y432 HydrophobicContact CZ-CE1 4.49Å; F361-V433 HydrophobicContact CZ-CG2 3.97Å |
| 362 | F | 93.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.9 | -35.6 | -178.2 | -70.7 | -80.4 | 0 | 0 | 0 | 113 | V353 R355 N358 Q359 L365 A366 L373 I376 | V353-F362 HydrophobicContact CG1-CE2 3.73Å; V353-F362 HydrophobicContact CG1-CZ 3.93Å; R355-F362 HydrophobicContact CB-CD2 3.97Å; R355-F362 HydrophobicContact CB-CE2 4.38Å; R355-F362 HydrophobicContact CB-CG 4.27Å; R355-F362 HydrophobicContact CG-CB 4Å; R355-F362 HydrophobicContact CG-CD2 4.09Å; R355-F362 HydrophobicContact CG-CG 4.15Å; N358-F362 VanDerWaalsContact O-CD2 3.32Å; N358-F362 WeakPolarHBondContact O-CD2 3.23Å; N358-F362 PolarHBondContact O-N 3.11Å; Q359-F362 PolarHBondContact O-N 3.44Å; F362-L365 HydrophobicContact CD1-CD2 4.49Å; F362-L365 PolarHBondContact O-N 3.47Å; F362-A366 WeakPolarHBondContact O-CB 3.21Å; F362-A366 PolarHBondContact O-N 3.31Å; F362-L373 HydrophobicContact CD1-CB 3.84Å; F362-L373 WeakPolarHBondContact CD1-O 3.3Å; F362-L373 HydrophobicContact CE1-CB 3.81Å; F362-I376 HydrophobicContact CE1-CG2 4.24Å; F362-I376 HydrophobicContact CZ-CG2 4.14Å |
| 363 | S | 92.3 | Very high | 89 | Confident | 56 Ų | 56 | 51.3 Ų | 51.3 | 39% | 0.392 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 173 | -63.8 | 0 | 0 | 0 | 0 | 111.2 | Q359 A366 T367 | Q359-S363 WeakPolarHBondContact O-CB 3.27Å; Q359-S363 PolarHBondContact O-N 2.81Å; Q359-S363 PolarHBondContact O-OG 2.82Å; Q359-S363 VanDerWaalsContact O-OG 3.12Å; S363-A366 PolarHBondContact O-N 3.09Å; S363-T367 PolarHBondContact O-N 2.88Å; S363-T367 PolarHBondContact O-OG1 2.72Å; S363-T367 VanDerWaalsContact O-OG1 3.05Å |
| 364 | R | 93.5 | Very high | 89.9 | Confident | 118 Ų | 118 | 51.9 Ų | 51.9 | 45% | 0.445 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.2 | -44.7 | 173.7 | -78.5 | -165.1 | -45.3 | 93.8 | 3.5 | 113 | S360 F361 A366 T367 E368 Y432 | S360-R364 WeakPolarHBondContact O-CB 3.49Å; S360-R364 WeakPolarHBondContact O-CG 3.45Å; S360-R364 PolarHBondContact O-N 2.68Å; S360-R364 VanDerWaalsContact O-N 3.13Å; F361-R364 PolarHBondContact O-N 3.13Å; R364-A366 VanDerWaalsContact C-N 3.3Å; R364-A366 PolarHBondContact O-N 3.09Å; R364-T367 PolarHBondContact O-N 3.21Å; R364-E368 VanDerWaalsContact CB-OE1 3.29Å; R364-E368 WeakPolarHBondContact CB-OE1 3.36Å; R364-E368 WeakPolarHBondContact CD-OE1 3.37Å; R364-E368 WeakPolarHBondContact CG-OE1 3.45Å; R364-E368 IonicContact CZ-OE1 3.99Å; R364-E368 IonicContact NH1-OE1 2.95Å; R364-E368 PolarHBondContact NH1-OE1 3.16Å; R364-E368 IonicContact NH1-OE2 2.61Å; R364-E368 PolarHBondContact NH1-OE2 2.95Å; R364-E368 WeakPolarHBondContact O-CB 3.36Å; R364-E368 VanDerWaalsContact O-CG 3.25Å; R364-E368 WeakPolarHBondContact O-CG 3.42Å; R364-E368 PolarHBondContact O-N 3.03Å; R364-Y432 PolarHBondContact NH1-OH 2.72Å |
| 365 | L | 93.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54 | -47.9 | 172.7 | 177 | 71.9 | 0 | 0 | 0 | 110.9 | F361 F362 T369 I371 L373 Y432 | F361-L365 WeakPolarHBondContact O-CB 3.26Å; F361-L365 PolarHBondContact O-N 2.9Å; F362-L365 HydrophobicContact CD1-CD2 4.49Å; F362-L365 PolarHBondContact O-N 3.47Å; L365-T369 HydrophobicContact CD1-CG2 4.33Å; L365-T369 WeakPolarHBondContact O-CB 3.26Å; L365-T369 PolarHBondContact O-N 3.37Å; L365-T369 PolarHBondContact O-OG1 3.02Å; L365-I371 HydrophobicContact CD1-CB 4.39Å; L365-I371 HydrophobicContact CD2-CG2 4.08Å; L365-I371 WeakPolarHBondContact CD2-O 3.39Å; L365-I371 HydrophobicContact CG-CB 4.23Å; L365-I371 HydrophobicContact CG-CG2 4.31Å; L365-I371 WeakPolarHBondContact CG-O 3.45Å; L365-L373 HydrophobicContact CD2-CD1 3.65Å; L365-L373 HydrophobicContact CD2-CG 3.92Å; L365-Y432 HydrophobicContact CB-CD1 4.41Å; L365-Y432 HydrophobicContact CB-CE1 3.98Å; L365-Y432 HydrophobicContact CD1-CD1 3.31Å; L365-Y432 HydrophobicContact CD1-CD2 4.25Å; L365-Y432 HydrophobicContact CD1-CE1 3.75Å; L365-Y432 HydrophobicContact CD1-CG 3.6Å; L365-Y432 HydrophobicContact CG-CD1 4.41Å; L365-Y432 HydrophobicContact CG-CE1 4.47Å |
| 366 | A | 93.6 | Very high | 91 | Very high | 25 Ų | 25 | 50.3 Ų | 50.3 | 21% | 0.207 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.5 | -43.1 | 179 | 0 | 0 | 0 | 0 | 0 | 112.7 | F362 S363 R364 G370 I371 D372 | F362-A366 WeakPolarHBondContact O-CB 3.21Å; F362-A366 PolarHBondContact O-N 3.31Å; S363-A366 PolarHBondContact O-N 3.09Å; R364-A366 VanDerWaalsContact C-N 3.3Å; R364-A366 PolarHBondContact O-N 3.09Å; A366-G370 WeakPolarHBondContact O-CA 3.43Å; A366-G370 PolarHBondContact O-N 3.22Å; A366-I371 WeakPolarHBondContact CA-O 3.24Å; A366-I371 PolarHBondContact N-O 2.82Å; A366-D372 HydrophobicContact CB-CB 4.19Å; A366-D372 WeakPolarHBondContact CB-OD1 3.25Å |
| 367 | T | 93.6 | Very high | 91.6 | Very high | 126 Ų | 126 | 47.4 Ų | 47.4 | 77% | 0.773 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -71.9 | -41 | 178.3 | -57.3 | 0 | 0 | 0 | 0 | 113.2 | S363 R364 | S363-T367 PolarHBondContact O-N 2.88Å; S363-T367 PolarHBondContact O-OG1 2.72Å; S363-T367 VanDerWaalsContact O-OG1 3.05Å; R364-T367 PolarHBondContact O-N 3.21Å |
| 368 | E | 94.6 | Very high | 92.2 | Very high | 105 Ų | 105 | 41 Ų | 41 | 49% | 0.491 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -83.9 | -19.8 | -173.2 | -64.2 | 167.3 | -152.1 | 0 | 0 | 112.5 | R364 Y432 | R364-E368 VanDerWaalsContact CB-OE1 3.29Å; R364-E368 WeakPolarHBondContact CB-OE1 3.36Å; R364-E368 WeakPolarHBondContact CD-OE1 3.37Å; R364-E368 WeakPolarHBondContact CG-OE1 3.45Å; R364-E368 IonicContact CZ-OE1 3.99Å; R364-E368 IonicContact NH1-OE1 2.95Å; R364-E368 PolarHBondContact NH1-OE1 3.16Å; R364-E368 IonicContact NH1-OE2 2.61Å; R364-E368 PolarHBondContact NH1-OE2 2.95Å; R364-E368 WeakPolarHBondContact O-CB 3.36Å; R364-E368 VanDerWaalsContact O-CG 3.25Å; R364-E368 WeakPolarHBondContact O-CG 3.42Å; R364-E368 PolarHBondContact O-N 3.03Å; E368-Y432 HydrophobicContact CB-CE2 3.99Å; E368-Y432 VanDerWaalsContact CD-OH 3.22Å; E368-Y432 WeakPolarHBondContact OE2-CE2 3.49Å; E368-Y432 VanDerWaalsContact OE2-CZ 3.26Å; E368-Y432 PolarHBondContact OE2-OH 2.98Å |
| 369 | T | 93.9 | Very high | 92.6 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 14% | 0.135 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -134 | -13.1 | -178 | 70.4 | 0 | 0 | 0 | 0 | 115.7 | L365 I371 K398 Y432 | L365-T369 HydrophobicContact CD1-CG2 4.33Å; L365-T369 WeakPolarHBondContact O-CB 3.26Å; L365-T369 PolarHBondContact O-N 3.37Å; L365-T369 PolarHBondContact O-OG1 3.02Å; T369-I371 VanDerWaalsContact C-N 3.28Å; T369-I371 VanDerWaalsContact OG1-CB 3.31Å; T369-I371 WeakPolarHBondContact OG1-CB 3.46Å; T369-I371 WeakPolarHBondContact OG1-CG1 3.48Å; T369-I371 PolarHBondContact OG1-N 3.04Å; T369-K398 WeakPolarHBondContact O-CE 3.29Å; T369-K398 PolarHBondContact O-NZ 3.32Å; T369-Y432 HydrophobicContact CG2-CD2 3.52Å; T369-Y432 HydrophobicContact CG2-CE2 4.01Å; T369-Y432 HydrophobicContact CG2-CG 4.19Å |
| 370 | G | 93.9 | Very high | 92.8 | Very high | 29 Ų | 29 | 34.9 Ų | 34.9 | 30% | 0.299 | 20% | 0.195 | S | C | . | . | S | Bend | trans | 74 | 14.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | A366 S394 | A366-G370 WeakPolarHBondContact O-CA 3.43Å; A366-G370 PolarHBondContact O-N 3.22Å; G370-S394 PolarHBondContact O-OG 3.4Å |
| 371 | I | 96.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | trans | -102.5 | 102.5 | -178.8 | -63.4 | -172.9 | 0 | 0 | 0 | 109.6 | L365 A366 T369 L373 S394 Y425 E428 T429 | L365-I371 HydrophobicContact CD1-CB 4.39Å; L365-I371 HydrophobicContact CD2-CG2 4.08Å; L365-I371 WeakPolarHBondContact CD2-O 3.39Å; L365-I371 HydrophobicContact CG-CB 4.23Å; L365-I371 HydrophobicContact CG-CG2 4.31Å; L365-I371 WeakPolarHBondContact CG-O 3.45Å; A366-I371 WeakPolarHBondContact CA-O 3.24Å; A366-I371 PolarHBondContact N-O 2.82Å; T369-I371 VanDerWaalsContact C-N 3.28Å; T369-I371 VanDerWaalsContact OG1-CB 3.31Å; T369-I371 WeakPolarHBondContact OG1-CB 3.46Å; T369-I371 WeakPolarHBondContact OG1-CG1 3.48Å; T369-I371 PolarHBondContact OG1-N 3.04Å; I371-L373 HydrophobicContact CG2-CD1 4.22Å; I371-L373 HydrophobicContact CG2-CD2 3.89Å; I371-L373 HydrophobicContact CG2-CG 3.88Å; I371-S394 WeakPolarHBondContact CA-OG 3.46Å; I371-Y425 HydrophobicContact CD1-CD2 4.32Å; I371-Y425 HydrophobicContact CD1-CE2 4.47Å; I371-Y425 HydrophobicContact CD1-CG 4.39Å; I371-Y425 HydrophobicContact CG1-CD2 4.29Å; I371-Y425 HydrophobicContact CG1-CE2 4.02Å; I371-Y425 HydrophobicContact CG2-CE1 3.91Å; I371-Y425 HydrophobicContact CG2-CE2 4.32Å; I371-E428 HydrophobicContact CD1-CB 3.9Å; I371-E428 HydrophobicContact CD1-CG 3.79Å; I371-T429 WeakPolarHBondContact CD1-OG1 3.19Å | ||
| 372 | D | 94.8 | Very high | 92.7 | Very high | 13 Ų | 13 | 33.8 Ų | 33.8 | 7% | 0.07 | 18% | 0.181 | C | C | . | . | trans | -102.3 | 105.1 | -177.1 | -160.8 | 53.5 | 0 | 0 | 0 | 112.1 | R355 A366 K391 H393 S394 | R355-D372 IonicContact CZ-OD1 2.71Å; R355-D372 IonicContact CZ-OD2 2.74Å; R355-D372 IonicContact NH1-OD1 2.7Å; R355-D372 PolarHBondContact NH1-OD1 3.07Å; R355-D372 IonicContact NH1-OD2 3.43Å; R355-D372 PolarHBondContact NH1-OD2 3.29Å; R355-D372 IonicContact NH2-OD1 2.69Å; R355-D372 PolarHBondContact NH2-OD1 3.04Å; R355-D372 IonicContact NH2-OD2 3.49Å; A366-D372 HydrophobicContact CB-CB 4.19Å; A366-D372 WeakPolarHBondContact CB-OD1 3.25Å; D372-K391 PolarHBondContact O-N 3.34Å; D372-K391 WeakPolarHBondContact OD2-CD 3.48Å; D372-K391 WeakPolarHBondContact OD2-CE 3.38Å; D372-K391 IonicContact OD2-NZ 2.65Å; D372-K391 PolarHBondContact OD2-NZ 3.42Å; D372-H393 IonicContact OD2-CE1 3.56Å; D372-H393 IonicContact OD2-NE2 3.62Å; D372-S394 PolarHBondContact N-OG 2.94Å | ||
| 373 | L | 94.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 157 | -176.1 | -52 | 178.4 | 0 | 0 | 0 | 112.8 | R355 F362 L365 I371 I376 M388 T389 A390 Y425 T429 | R355-L373 PolarHBondContact NH1-O 2.93Å; F362-L373 HydrophobicContact CD1-CB 3.84Å; F362-L373 WeakPolarHBondContact CD1-O 3.3Å; F362-L373 HydrophobicContact CE1-CB 3.81Å; L365-L373 HydrophobicContact CD2-CD1 3.65Å; L365-L373 HydrophobicContact CD2-CG 3.92Å; I371-L373 HydrophobicContact CG2-CD1 4.22Å; I371-L373 HydrophobicContact CG2-CD2 3.89Å; I371-L373 HydrophobicContact CG2-CG 3.88Å; L373-I376 HydrophobicContact CD1-CB 4.38Å; L373-I376 HydrophobicContact CD1-CD1 4.13Å; L373-M388 HydrophobicContact CD1-CB 4.13Å; L373-M388 HydrophobicContact CD2-CB 4.39Å; L373-M388 HydrophobicContact CD2-CG 4.47Å; L373-M388 HydrophobicContact CD2-SD 4.43Å; L373-T389 CarbonylContact C-O 3.57Å; L373-T389 WeakPolarHBondContact CA-O 3.41Å; L373-A390 HydrophobicContact CD2-CB 3.65Å; L373-Y425 HydrophobicContact CD2-CE1 4.17Å; L373-T429 HydrophobicContact CD1-CG2 3.95Å |
| 374 | E | 90.7 | Very high | 93 | Very high | 59 Ų | 59 | 31.7 Ų | 31.7 | 28% | 0.276 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | -31.6 | 169 | -56.3 | -160.4 | 151 | 0 | 0 | 112.7 | R355 T389 K391 T1225 | R355-E374 WeakPolarHBondContact CB-O 3.44Å; R355-E374 PolarHBondContact N-O 3.27Å; E374-T389 HydrophobicContact CB-CG2 4.5Å; E374-T389 PolarHBondContact N-O 2.68Å; E374-K391 HydrophobicContact CG-CG 4.01Å; E374-T1225 WeakPolarHBondContact O-CG2 3.24Å |
| 375 | N | 89.7 | Confident | 93.1 | Very high | 8 Ų | 8 | 26.4 Ų | 26.4 | 4% | 0.043 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 160.6 | 175.3 | 57.6 | 63.2 | 0 | 0 | 0 | 112.1 | V353 M388 T389 T1225 | V353-N375 WeakPolarHBondContact O-CA 3.19Å; N375-M388 WeakPolarHBondContact O-CA 3.41Å; N375-T389 VanDerWaalsContact CG-OG1 3.23Å; N375-T389 VanDerWaalsContact ND2-CB 3.34Å; N375-T389 WeakPolarHBondContact ND2-CB 3.42Å; N375-T389 PolarHBondContact ND2-OG1 3.48Å; N375-T389 PolarHBondContact O-N 3.39Å; N375-T389 VanDerWaalsContact O-N 3.1Å; N375-T389 WeakPolarHBondContact OD1-CB 3.48Å; N375-T389 PolarHBondContact OD1-N 3.49Å; N375-T389 VanDerWaalsContact OD1-N 3.08Å; N375-T389 PolarHBondContact OD1-OG1 3.31Å; N375-T1225 HydrophobicContact CB-CG2 3.78Å |
| 376 | I | 91.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 140.4 | 167.5 | -170.2 | 153 | 0 | 0 | 0 | 112.1 | G352 V353 F361 F362 L373 F386 V387 M388 T429 V433 | G352-I376 WeakPolarHBondContact CA-O 3.32Å; V353-I376 PolarHBondContact N-O 3.11Å; V353-I376 PolarHBondContact O-N 2.97Å; V353-I376 VanDerWaalsContact O-O 3.14Å; F361-I376 HydrophobicContact CE1-CG2 4.24Å; F362-I376 HydrophobicContact CE1-CG2 4.24Å; F362-I376 HydrophobicContact CZ-CG2 4.14Å; L373-I376 HydrophobicContact CD1-CB 4.38Å; L373-I376 HydrophobicContact CD1-CD1 4.13Å; I376-F386 HydrophobicContact CD1-CD1 4.41Å; I376-V387 CarbonylContact C-O 3.36Å; I376-V387 WeakPolarHBondContact CA-O 3.4Å; I376-M388 HydrophobicContact CB-CB 4.35Å; I376-M388 HydrophobicContact CD1-CB 4.15Å; I376-M388 HydrophobicContact CD1-CE 4.12Å; I376-M388 HydrophobicContact CG1-CB 4.16Å; I376-T429 HydrophobicContact CD1-CG2 3.42Å; I376-T429 VanDerWaalsContact CD1-CG2 3.42Å; I376-V433 HydrophobicContact CD1-CB 4.31Å; I376-V433 HydrophobicContact CD1-CG1 4.02Å; I376-V433 HydrophobicContact CD1-CG2 3.65Å; I376-V433 HydrophobicContact CG1-CG1 4.45Å; I376-V433 HydrophobicContact CG2-CG1 4.49Å |
| 377 | V | 91.3 | Very high | 93.2 | Very high | 4 Ų | 4 | 25.5 Ų | 25.5 | 2% | 0.024 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 140.4 | 175.2 | -168.7 | 0 | 0 | 0 | 0 | 108.2 | I350 Y379 F386 V387 | I350-V377 CarbonylContact O-C 3.12Å; I350-V377 VanDerWaalsContact O-CA 3.28Å; I350-V377 WeakPolarHBondContact O-CA 3.46Å; I350-V377 WeakPolarHBondContact O-CG1 3.47Å; V377-Y379 HydrophobicContact CG1-CD1 4.21Å; V377-Y379 HydrophobicContact CG1-CD2 4.08Å; V377-Y379 HydrophobicContact CG1-CE1 3.73Å; V377-Y379 HydrophobicContact CG1-CE2 3.57Å; V377-Y379 HydrophobicContact CG1-CG 4.36Å; V377-F386 WeakPolarHBondContact O-CA 3.41Å; V377-V387 HydrophobicContact CB-CG1 3.67Å; V377-V387 HydrophobicContact CG1-CG1 4.46Å; V377-V387 HydrophobicContact CG2-CG1 3.76Å; V377-V387 PolarHBondContact N-O 3.37Å; V377-V387 PolarHBondContact O-N 3.39Å; V377-V387 VanDerWaalsContact O-N 3.11Å |
| 378 | Y | 93.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 10% | 0.101 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 123.1 | 170.2 | 166.5 | -127.3 | 0 | 0 | 0 | 109.9 | V347 E348 I350 H384 Y385 F386 T434 L438 | V347-Y378 HydrophobicContact CG1-CE1 3.92Å; E348-Y378 WeakPolarHBondContact O-CD1 3.38Å; I350-Y378 PolarHBondContact N-O 3.19Å; I350-Y378 PolarHBondContact O-N 2.83Å; Y378-H384 HydrophobicContact CE2-CB 3.88Å; Y378-H384 AromaticContact CE2-ND1 3.81Å; Y378-H384 AromaticContact CZ-ND1 3.79Å; Y378-H384 PolarHBondContact OH-ND1 2.94Å; Y378-Y385 WeakPolarHBondContact CA-O 3.46Å; Y378-F386 HydrophobicContact CD2-CD1 4.16Å; Y378-F386 HydrophobicContact CD2-CD2 4.11Å; Y378-F386 AromaticContact CD2-CE1 3.72Å; Y378-F386 HydrophobicContact CD2-CE1 3.72Å; Y378-F386 AromaticContact CD2-CE2 3.64Å; Y378-F386 HydrophobicContact CD2-CE2 3.64Å; Y378-F386 HydrophobicContact CD2-CG 4.35Å; Y378-F386 AromaticContact CD2-CZ 3.42Å; Y378-F386 HydrophobicContact CD2-CZ 3.42Å; Y378-F386 VanDerWaalsContact CD2-CZ 3.42Å; Y378-F386 AromaticContact CE2-CE2 3.96Å; Y378-F386 HydrophobicContact CE2-CE2 3.96Å; Y378-F386 AromaticContact CE2-CZ 3.9Å; Y378-F386 HydrophobicContact CE2-CZ 3.9Å; Y378-F386 HydrophobicContact CG-CD1 4.28Å; Y378-F386 AromaticContact CG-CE1 3.73Å; Y378-F386 HydrophobicContact CG-CE1 3.73Å; Y378-F386 HydrophobicContact CG-CE2 4.47Å; Y378-F386 AromaticContact CG-CZ 3.83Å; Y378-F386 HydrophobicContact CG-CZ 3.83Å; Y378-T434 HydrophobicContact CD1-CG2 4.38Å; Y378-T434 HydrophobicContact CE1-CG2 4.4Å; Y378-L438 HydrophobicContact CE2-CD1 4.27Å |
| 379 | Y | 92 | Very high | 93.1 | Very high | 25 Ų | 25 | 14.5 Ų | 14.5 | 10% | 0.098 | 8% | 0.078 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 143 | 175.3 | -63.9 | -41.8 | 0 | 0 | 0 | 110.9 | V126 H128 H156 V377 Y385 | V126-Y379 HydrophobicContact CB-CD2 4.26Å; V126-Y379 HydrophobicContact CG1-CD2 3.78Å; V126-Y379 HydrophobicContact CG1-CG 4.25Å; H128-Y379 HydrophobicContact CB-CE2 4.34Å; H156-Y379 HydrophobicContact CB-CD2 4.47Å; H156-Y379 AromaticContact CD2-CD1 3.46Å; H156-Y379 VanDerWaalsContact CD2-CD1 3.46Å; H156-Y379 WeakPolarHBondContact CD2-CD1 3.41Å; H156-Y379 AromaticContact CD2-CG 3.65Å; H156-Y379 AromaticContact NE2-CD1 3.94Å; V377-Y379 HydrophobicContact CG1-CD1 4.21Å; V377-Y379 HydrophobicContact CG1-CD2 4.08Å; V377-Y379 HydrophobicContact CG1-CE1 3.73Å; V377-Y379 HydrophobicContact CG1-CE2 3.57Å; V377-Y379 HydrophobicContact CG1-CG 4.36Å; Y379-Y385 AromaticContact CD2-CD1 3.8Å; Y379-Y385 HydrophobicContact CD2-CD1 3.8Å; Y379-Y385 HydrophobicContact CD2-CE1 4.09Å; Y379-Y385 HydrophobicContact CG-CD1 4.47Å; Y379-Y385 PolarHBondContact N-O 3.41Å; Y379-Y385 PolarHBondContact O-N 3.39Å |
| 380 | K | 91.8 | Very high | 93.2 | Very high | 32 Ų | 32 | 13.7 Ų | 13.7 | 14% | 0.139 | 7% | 0.073 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 79.1 | -175.5 | -166.9 | -168.7 | -46.6 | -171.8 | 0 | 111.1 | E344 A345 V347 E349 | E344-K380 WeakPolarHBondContact O-CD 3.3Å; E344-K380 VanDerWaalsContact O-CE 3.29Å; E344-K380 WeakPolarHBondContact O-CE 3.29Å; E344-K380 PolarHBondContact O-NZ 2.91Å; A345-K380 PolarHBondContact O-NZ 3.44Å; V347-K380 VanDerWaalsContact O-CE 3.25Å; V347-K380 WeakPolarHBondContact O-CE 3.19Å; V347-K380 PolarHBondContact O-NZ 2.94Å; E349-K380 HydrophobicContact CG-CB 4.09Å |
| 381 | D | 90.7 | Very high | 93.1 | Very high | 15 Ų | 15 | 15 Ų | 15 | 8% | 0.08 | 7% | 0.071 | C | C | . | . | S | Bend | trans | -103 | -145.5 | -173 | -153.3 | -83.8 | 0 | 0 | 0 | 110.4 | V126 H156 I157 S158 N338 T383 | V126-D381 HydrophobicContact CG1-CB 4.24Å; V126-D381 HydrophobicContact CG2-CB 3.5Å; V126-D381 VanDerWaalsContact CG2-CB 3.5Å; H156-D381 IonicContact CE1-OD2 3.82Å; H156-D381 IonicContact CG-OD2 2.61Å; H156-D381 IonicContact ND1-OD2 3.84Å; H156-D381 PolarHBondContact ND1-OD2 3.48Å; I157-D381 VanDerWaalsContact CA-OD2 3.26Å; I157-D381 WeakPolarHBondContact CA-OD2 3.39Å; S158-D381 PolarHBondContact N-OD1 2.96Å; S158-D381 PolarHBondContact N-OD2 2.96Å; N338-D381 PolarHBondContact ND2-O 3.26Å; D381-T383 CarbonylContact C-O 3.55Å; D381-T383 PolarHBondContact N-O 3.38Å; D381-T383 PolarHBondContact O-N 3.44Å |
| 382 | E | 89.3 | Confident | 93.1 | Very high | 72 Ų | 72 | 18.1 Ų | 18.1 | 34% | 0.336 | 8% | 0.084 | S | C | . | . | S | Bend | trans | -59.4 | -20.1 | 164.8 | -62.4 | -179.2 | 121.5 | 0 | 0 | 112.7 | F146 S158 T161 | F146-E382 HydrophobicContact CZ-CG 4.4Å; S158-E382 PolarHBondContact OG-OE2 3.2Å; T161-E382 WeakPolarHBondContact CB-OE2 3.31Å; T161-E382 PolarHBondContact OG1-OE1 2.83Å; T161-E382 PolarHBondContact OG1-OE2 2.99Å |
| 383 | T | 94.4 | Very high | 93 | Very high | 12 Ų | 12 | 21.5 Ų | 21.5 | 7% | 0.074 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 159 | 171 | 50 | 0 | 0 | 0 | 0 | 110 | N124 N335 F336 D381 Y385 A444 | N124-T383 HydrophobicContact CB-CG2 4.37Å; N335-T383 HydrophobicContact CB-CG2 3.99Å; N335-T383 PolarHBondContact OD1-OG1 3.05Å; F336-T383 CarbonylContact O-C 3.4Å; F336-T383 WeakPolarHBondContact O-CA 3.42Å; F336-T383 VanDerWaalsContact O-CB 3.29Å; F336-T383 WeakPolarHBondContact O-CB 3.39Å; D381-T383 CarbonylContact C-O 3.55Å; D381-T383 PolarHBondContact N-O 3.38Å; D381-T383 PolarHBondContact O-N 3.44Å; T383-Y385 PolarHBondContact O-N 3.33Å; T383-A444 HydrophobicContact CG2-CB 3.89Å |
| 384 | H | 96.1 | Very high | 93.1 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 99 | 160 | -64.6 | -59 | 0 | 0 | 0 | 107.2 | F336 I337 E344 Y378 F386 L438 | F336-H384 HydrophobicContact CB-CB 4.18Å; F336-H384 PolarHBondContact N-O 2.69Å; F336-H384 PolarHBondContact O-N 2.69Å; I337-H384 PolarHBondContact O-CD2 2.88Å; E344-H384 IonicContact OE1-CD2 3.68Å; E344-H384 IonicContact OE1-CE1 2.73Å; E344-H384 IonicContact OE1-NE2 3.41Å; E344-H384 PolarHBondContact OE1-NE2 3.46Å; Y378-H384 HydrophobicContact CE2-CB 3.88Å; Y378-H384 AromaticContact CE2-ND1 3.81Å; Y378-H384 AromaticContact CZ-ND1 3.79Å; Y378-H384 PolarHBondContact OH-ND1 2.94Å; H384-F386 HydrophobicContact CB-CE2 4.23Å; H384-L438 HydrophobicContact CB-CD1 4.23Å |
| 385 | Y | 95.8 | Very high | 93.4 | Very high | 8 Ų | 8 | 18.7 Ų | 18.7 | 3% | 0.031 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 127.1 | -175 | 170.5 | -100.7 | 0 | 0 | 0 | 110.7 | N125 V126 T333 V334 Y378 Y379 T383 V387 | N125-Y385 HydrophobicContact CB-CD2 4.27Å; N125-Y385 HydrophobicContact CB-CE2 3.63Å; V126-Y385 HydrophobicContact CB-CD1 3.68Å; V126-Y385 HydrophobicContact CB-CD2 4.43Å; V126-Y385 HydrophobicContact CB-CE1 4.18Å; V126-Y385 HydrophobicContact CB-CG 3.77Å; V126-Y385 HydrophobicContact CG2-CD1 4.23Å; V126-Y385 HydrophobicContact CG2-CD2 4.43Å; V126-Y385 HydrophobicContact CG2-CG 3.83Å; T333-Y385 HydrophobicContact CG2-CE2 4.47Å; V334-Y385 WeakPolarHBondContact O-CA 3.37Å; Y378-Y385 WeakPolarHBondContact CA-O 3.46Å; Y379-Y385 AromaticContact CD2-CD1 3.8Å; Y379-Y385 HydrophobicContact CD2-CD1 3.8Å; Y379-Y385 HydrophobicContact CD2-CE1 4.09Å; Y379-Y385 HydrophobicContact CG-CD1 4.47Å; Y379-Y385 PolarHBondContact N-O 3.41Å; Y379-Y385 PolarHBondContact O-N 3.39Å; T383-Y385 PolarHBondContact O-N 3.33Å; Y385-V387 HydrophobicContact CE1-CB 4.16Å; Y385-V387 HydrophobicContact CE1-CG1 3.75Å |
| 386 | F | 95.3 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 140.7 | 171.7 | -65.7 | -99.9 | 0 | 0 | 0 | 110.1 | T333 V334 F336 I376 V377 Y378 H384 M388 A430 V433 T434 L438 | T333-F386 CarbonylContact C-O 3.55Å; T333-F386 WeakPolarHBondContact CA-O 3.45Å; V334-F386 HydrophobicContact CB-CB 4.21Å; V334-F386 HydrophobicContact CG2-CB 4.3Å; V334-F386 PolarHBondContact N-O 2.93Å; V334-F386 PolarHBondContact O-N 3Å; F336-F386 AromaticContact CD2-CD2 3.89Å; F336-F386 HydrophobicContact CD2-CD2 3.89Å; F336-F386 AromaticContact CD2-CE2 3.84Å; F336-F386 HydrophobicContact CD2-CE2 3.84Å; F336-F386 AromaticContact CE2-CD2 3.81Å; F336-F386 HydrophobicContact CE2-CD2 3.81Å; F336-F386 AromaticContact CE2-CE2 3.94Å; F336-F386 HydrophobicContact CE2-CE2 3.94Å; I376-F386 HydrophobicContact CD1-CD1 4.41Å; V377-F386 WeakPolarHBondContact O-CA 3.41Å; Y378-F386 HydrophobicContact CD2-CD1 4.16Å; Y378-F386 HydrophobicContact CD2-CD2 4.11Å; Y378-F386 AromaticContact CD2-CE1 3.72Å; Y378-F386 HydrophobicContact CD2-CE1 3.72Å; Y378-F386 AromaticContact CD2-CE2 3.64Å; Y378-F386 HydrophobicContact CD2-CE2 3.64Å; Y378-F386 HydrophobicContact CD2-CG 4.35Å; Y378-F386 AromaticContact CD2-CZ 3.42Å; Y378-F386 HydrophobicContact CD2-CZ 3.42Å; Y378-F386 VanDerWaalsContact CD2-CZ 3.42Å; Y378-F386 AromaticContact CE2-CE2 3.96Å; Y378-F386 HydrophobicContact CE2-CE2 3.96Å; Y378-F386 AromaticContact CE2-CZ 3.9Å; Y378-F386 HydrophobicContact CE2-CZ 3.9Å; Y378-F386 HydrophobicContact CG-CD1 4.28Å; Y378-F386 AromaticContact CG-CE1 3.73Å; Y378-F386 HydrophobicContact CG-CE1 3.73Å; Y378-F386 HydrophobicContact CG-CE2 4.47Å; Y378-F386 AromaticContact CG-CZ 3.83Å; Y378-F386 HydrophobicContact CG-CZ 3.83Å; H384-F386 HydrophobicContact CB-CE2 4.23Å; F386-M388 HydrophobicContact CB-CE 4.26Å; F386-A430 HydrophobicContact CD1-CB 4.35Å; F386-A430 HydrophobicContact CD2-CB 4.17Å; F386-A430 HydrophobicContact CE1-CB 3.98Å; F386-A430 HydrophobicContact CE2-CB 3.79Å; F386-A430 HydrophobicContact CG-CB 4.44Å; F386-A430 HydrophobicContact CZ-CB 3.69Å; F386-V433 HydrophobicContact CE1-CG1 4.34Å; F386-T434 HydrophobicContact CE1-CG2 4.23Å; F386-T434 HydrophobicContact CZ-CG2 3.92Å; F386-L438 HydrophobicContact CE2-CD1 4.07Å; F386-L438 HydrophobicContact CZ-CD1 3.88Å |
| 387 | V | 93.5 | Very high | 94 | Very high | 5 Ų | 5 | 27 Ų | 27 | 3% | 0.03 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134.1 | 161 | 54.8 | 0 | 0 | 0 | 0 | 109.6 | I332 T333 I376 V377 Y385 | I332-V387 WeakPolarHBondContact O-CA 3.2Å; T333-V387 HydrophobicContact CG2-CB 4.09Å; T333-V387 HydrophobicContact CG2-CG2 3.86Å; I376-V387 CarbonylContact C-O 3.36Å; I376-V387 WeakPolarHBondContact CA-O 3.4Å; V377-V387 HydrophobicContact CB-CG1 3.67Å; V377-V387 HydrophobicContact CG1-CG1 4.46Å; V377-V387 HydrophobicContact CG2-CG1 3.76Å; V377-V387 PolarHBondContact N-O 3.37Å; V377-V387 PolarHBondContact O-N 3.39Å; V377-V387 VanDerWaalsContact O-N 3.11Å; Y385-V387 HydrophobicContact CE1-CB 4.16Å; Y385-V387 HydrophobicContact CE1-CG1 3.75Å |
| 388 | M | 93.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 147.4 | -175.6 | 62.4 | -167.5 | 72.7 | 0 | 0 | 110 | A331 I332 V334 L373 N375 I376 F386 Y425 T429 | A331-M388 CarbonylContact C-O 3.5Å; A331-M388 VanDerWaalsContact CA-O 3.28Å; A331-M388 WeakPolarHBondContact CA-O 3.49Å; I332-M388 HydrophobicContact CB-CG 3.83Å; I332-M388 HydrophobicContact CB-SD 4.29Å; I332-M388 HydrophobicContact CG2-SD 4.49Å; I332-M388 PolarHBondContact N-O 3.33Å; I332-M388 PolarHBondContact O-N 3.04Å; V334-M388 HydrophobicContact CG2-CE 4.06Å; L373-M388 HydrophobicContact CD1-CB 4.13Å; L373-M388 HydrophobicContact CD2-CB 4.39Å; L373-M388 HydrophobicContact CD2-CG 4.47Å; L373-M388 HydrophobicContact CD2-SD 4.43Å; N375-M388 WeakPolarHBondContact O-CA 3.41Å; I376-M388 HydrophobicContact CB-CB 4.35Å; I376-M388 HydrophobicContact CD1-CB 4.15Å; I376-M388 HydrophobicContact CD1-CE 4.12Å; I376-M388 HydrophobicContact CG1-CB 4.16Å; F386-M388 HydrophobicContact CB-CE 4.26Å; M388-Y425 HydrophobicContact SD-CD1 4.44Å; M388-Y425 HydrophobicContact SD-CE1 4.34Å; M388-T429 HydrophobicContact CE-CG2 3.63Å; M388-T429 HydrophobicContact SD-CG2 3.83Å |
| 389 | T | 93.1 | Very high | 94.3 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 115.1 | 170.8 | -52.7 | 0 | 0 | 0 | 0 | 108.4 | A329 I330 L373 E374 N375 | A329-T389 HydrophobicContact CB-CG2 4.29Å; I330-T389 CarbonylContact O-C 3.52Å; I330-T389 WeakPolarHBondContact O-CA 3.32Å; L373-T389 CarbonylContact C-O 3.57Å; L373-T389 WeakPolarHBondContact CA-O 3.41Å; E374-T389 HydrophobicContact CB-CG2 4.5Å; E374-T389 PolarHBondContact N-O 2.68Å; N375-T389 VanDerWaalsContact CG-OG1 3.23Å; N375-T389 VanDerWaalsContact ND2-CB 3.34Å; N375-T389 WeakPolarHBondContact ND2-CB 3.42Å; N375-T389 PolarHBondContact ND2-OG1 3.48Å; N375-T389 PolarHBondContact O-N 3.39Å; N375-T389 VanDerWaalsContact O-N 3.1Å; N375-T389 WeakPolarHBondContact OD1-CB 3.48Å; N375-T389 PolarHBondContact OD1-N 3.49Å; N375-T389 VanDerWaalsContact OD1-N 3.08Å; N375-T389 PolarHBondContact OD1-OG1 3.31Å |
| 390 | A | 94.9 | Very high | 94.6 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 3% | 0.033 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 145.9 | -174 | 0 | 0 | 0 | 0 | 0 | 111.3 | I330 I332 L373 L395 Y425 | I330-A390 PolarHBondContact O-N 2.91Å; I332-A390 HydrophobicContact CD1-CB 4.38Å; L373-A390 HydrophobicContact CD2-CB 3.65Å; A390-L395 HydrophobicContact CB-CD1 4.02Å; A390-L395 HydrophobicContact CB-CD2 3.84Å; A390-L395 HydrophobicContact CB-CG 3.95Å; A390-Y425 HydrophobicContact CB-CE1 4.14Å |
| 391 | K | 93.6 | Very high | 94.8 | Very high | 56 Ų | 56 | 28.9 Ų | 28.9 | 24% | 0.243 | 15% | 0.145 | C | C | . | . | trans | -82.5 | 147.2 | 176.1 | -61.8 | -164.2 | -158.3 | 148.4 | 0 | 111.6 | D372 E374 H393 S394 L395 | D372-K391 PolarHBondContact O-N 3.34Å; D372-K391 WeakPolarHBondContact OD2-CD 3.48Å; D372-K391 WeakPolarHBondContact OD2-CE 3.38Å; D372-K391 IonicContact OD2-NZ 2.65Å; D372-K391 PolarHBondContact OD2-NZ 3.42Å; E374-K391 HydrophobicContact CG-CG 4.01Å; K391-H393 VanDerWaalsContact C-N 3.34Å; K391-H393 PolarHBondContact O-N 2.66Å; K391-S394 PolarHBondContact O-N 3.46Å; K391-L395 PolarHBondContact O-N 3.45Å | ||
| 392 | K | 94.6 | Very high | 95 | Very high | 66 Ų | 66 | 33.7 Ų | 33.7 | 29% | 0.287 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -53.5 | -44.2 | -174.4 | -168.4 | -177.2 | 70.8 | 167.7 | 0 | 113.7 | L328 I330 L395 L396 L401 D404 L411 | L328-K392 HydrophobicContact CD2-CB 3.96Å; L328-K392 HydrophobicContact CD2-CD 3.68Å; L328-K392 HydrophobicContact CD2-CG 4.15Å; I330-K392 HydrophobicContact CD1-CB 4.34Å; I330-K392 HydrophobicContact CD1-CG 4.48Å; K392-L395 PolarHBondContact O-N 2.97Å; K392-L396 HydrophobicContact CD-CD1 4.45Å; K392-L396 HydrophobicContact CG-CD1 3.98Å; K392-L396 WeakPolarHBondContact O-CG 3.27Å; K392-L396 PolarHBondContact O-N 3.17Å; K392-L396 VanDerWaalsContact O-N 3.1Å; K392-L401 HydrophobicContact CG-CD1 4.44Å; K392-D404 VanDerWaalsContact CD-OD1 3.3Å; K392-D404 WeakPolarHBondContact CD-OD1 3.37Å; K392-D404 WeakPolarHBondContact CE-OD1 2.9Å; K392-D404 WeakPolarHBondContact CE-OD2 3.44Å; K392-D404 IonicContact NZ-OD1 3.31Å; K392-D404 PolarHBondContact NZ-OD1 2.93Å; K392-D404 IonicContact NZ-OD2 3.29Å; K392-D404 PolarHBondContact NZ-OD2 2.84Å; K392-L411 HydrophobicContact CD-CD1 4.32Å; K392-L411 HydrophobicContact CD-CD2 3.93Å; K392-L411 HydrophobicContact CG-CD2 4.15Å |
| 393 | H | 94.3 | Very high | 95.2 | Very high | 84 Ų | 84 | 35.5 Ų | 35.5 | 39% | 0.389 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -63.1 | -47.7 | -177.6 | 60.5 | -102.7 | 0 | 0 | 0 | 112 | D372 K391 L395 L396 E397 | D372-H393 IonicContact OD2-CE1 3.56Å; D372-H393 IonicContact OD2-NE2 3.62Å; K391-H393 VanDerWaalsContact C-N 3.34Å; K391-H393 PolarHBondContact O-N 2.66Å; H393-L395 PolarHBondContact O-N 2.89Å; H393-L396 WeakPolarHBondContact O-CA 3.23Å; H393-L396 WeakPolarHBondContact O-CB 3.29Å; H393-L396 PolarHBondContact O-N 3Å; H393-E397 WeakPolarHBondContact CB-OE1 3.41Å; H393-E397 IonicContact CD2-OE1 3.93Å; H393-E397 IonicContact CD2-OE2 2.69Å; H393-E397 IonicContact CG-OE1 3.85Å; H393-E397 WeakPolarHBondContact O-CB 3.3Å; H393-E397 VanDerWaalsContact O-CG 3.32Å; H393-E397 WeakPolarHBondContact O-CG 3.24Å; H393-E397 PolarHBondContact O-N 2.57Å |
| 394 | S | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -60.4 | -32.5 | 178 | 175.4 | 0 | 0 | 0 | 0 | 112.6 | G370 I371 D372 K391 K398 Y425 | G370-S394 PolarHBondContact O-OG 3.4Å; I371-S394 WeakPolarHBondContact CA-OG 3.46Å; D372-S394 PolarHBondContact N-OG 2.94Å; K391-S394 PolarHBondContact O-N 3.46Å; S394-K398 VanDerWaalsContact O-CB 3.27Å; S394-K398 WeakPolarHBondContact O-CB 3.2Å; S394-K398 WeakPolarHBondContact O-CG 3.16Å; S394-K398 PolarHBondContact O-N 3.37Å; S394-Y425 PolarHBondContact OG-OH 3.42Å |
| 395 | L | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -73.6 | -29.9 | 174.1 | -63.2 | 176.4 | 0 | 0 | 0 | 113.4 | I330 I332 A390 K391 K392 H393 V400 L401 Y425 I455 | I330-L395 HydrophobicContact CB-CD1 4.07Å; I330-L395 HydrophobicContact CD1-CD1 3.9Å; I330-L395 HydrophobicContact CG2-CD1 3.65Å; I332-L395 HydrophobicContact CD1-CD2 3.78Å; A390-L395 HydrophobicContact CB-CD1 4.02Å; A390-L395 HydrophobicContact CB-CD2 3.84Å; A390-L395 HydrophobicContact CB-CG 3.95Å; K391-L395 PolarHBondContact O-N 3.45Å; K392-L395 PolarHBondContact O-N 2.97Å; H393-L395 PolarHBondContact O-N 2.89Å; L395-V400 HydrophobicContact CB-CB 4.25Å; L395-V400 HydrophobicContact CD2-CB 4.09Å; L395-V400 HydrophobicContact CD2-CG1 4.1Å; L395-V400 HydrophobicContact CD2-CG2 4.19Å; L395-V400 WeakPolarHBondContact O-CA 3.45Å; L395-V400 WeakPolarHBondContact O-CB 3.27Å; L395-V400 PolarHBondContact O-N 3.46Å; L395-L401 HydrophobicContact CB-CD1 3.72Å; L395-L401 HydrophobicContact CB-CG 3.93Å; L395-L401 HydrophobicContact CD1-CD1 4.14Å; L395-L401 PolarHBondContact O-N 2.92Å; L395-Y425 HydrophobicContact CD2-CD1 4.37Å; L395-Y425 HydrophobicContact CD2-CD2 4.31Å; L395-Y425 HydrophobicContact CD2-CE1 3.9Å; L395-Y425 HydrophobicContact CD2-CE2 3.85Å; L395-I455 HydrophobicContact CD1-CD1 4.45Å |
| 396 | L | 96.2 | Very high | 94.6 | Very high | 47 Ų | 47 | 49.4 Ų | 49.4 | 25% | 0.246 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -75.3 | -47.7 | 173.2 | -69.4 | 160.2 | 0 | 0 | 0 | 110.7 | K392 H393 K398 G399 L401 D404 | K392-L396 HydrophobicContact CD-CD1 4.45Å; K392-L396 HydrophobicContact CG-CD1 3.98Å; K392-L396 WeakPolarHBondContact O-CG 3.27Å; K392-L396 PolarHBondContact O-N 3.17Å; K392-L396 VanDerWaalsContact O-N 3.1Å; H393-L396 WeakPolarHBondContact O-CA 3.23Å; H393-L396 WeakPolarHBondContact O-CB 3.29Å; H393-L396 PolarHBondContact O-N 3Å; L396-K398 VanDerWaalsContact C-N 3.33Å; L396-K398 PolarHBondContact O-N 3.12Å; L396-G399 WeakPolarHBondContact O-CA 3.27Å; L396-G399 PolarHBondContact O-N 3.19Å; L396-L401 HydrophobicContact CD2-CB 3.69Å; L396-L401 HydrophobicContact CG-CB 4.18Å; L396-D404 HydrophobicContact CD1-CB 3.89Å; L396-D404 HydrophobicContact CD2-CB 4.16Å |
| 397 | E | 95.6 | Very high | 94.1 | Very high | 136 Ų | 136 | 51.6 Ų | 51.6 | 64% | 0.636 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -59.1 | -40.3 | 178.4 | -70.9 | 156.1 | -160.9 | 0 | 0 | 112.4 | H393 G399 | H393-E397 WeakPolarHBondContact CB-OE1 3.41Å; H393-E397 IonicContact CD2-OE1 3.93Å; H393-E397 IonicContact CD2-OE2 2.69Å; H393-E397 IonicContact CG-OE1 3.85Å; H393-E397 WeakPolarHBondContact O-CB 3.3Å; H393-E397 VanDerWaalsContact O-CG 3.32Å; H393-E397 WeakPolarHBondContact O-CG 3.24Å; H393-E397 PolarHBondContact O-N 2.57Å; E397-G399 PolarHBondContact O-N 2.93Å |
| 398 | K | 96.6 | Very high | 93.8 | Very high | 64 Ų | 64 | 51.5 Ų | 51.5 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 4.7 | 174.1 | -70.9 | -80.8 | -172.2 | 171.3 | 0 | 114 | T369 S394 L396 V400 Y425 E428 | T369-K398 WeakPolarHBondContact O-CE 3.29Å; T369-K398 PolarHBondContact O-NZ 3.32Å; S394-K398 VanDerWaalsContact O-CB 3.27Å; S394-K398 WeakPolarHBondContact O-CB 3.2Å; S394-K398 WeakPolarHBondContact O-CG 3.16Å; S394-K398 PolarHBondContact O-N 3.37Å; L396-K398 VanDerWaalsContact C-N 3.33Å; L396-K398 PolarHBondContact O-N 3.12Å; K398-V400 HydrophobicContact CB-CG2 4.14Å; K398-V400 PolarHBondContact O-N 3.39Å; K398-Y425 HydrophobicContact CB-CD2 3.65Å; K398-Y425 HydrophobicContact CB-CE2 4Å; K398-Y425 HydrophobicContact CD-CD2 4.44Å; K398-Y425 HydrophobicContact CG-CD2 3.71Å; K398-Y425 HydrophobicContact CG-CE2 3.82Å; K398-E428 IonicContact NZ-OE1 3.59Å; K398-E428 PolarHBondContact NZ-OE1 3.35Å; K398-E428 IonicContact NZ-OE2 2.84Å; K398-E428 PolarHBondContact NZ-OE2 3.18Å |
| 399 | G | 96 | Very high | 93.5 | Very high | 34 Ų | 34 | 56 Ų | 56 | 35% | 0.351 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.4 | 15 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | L396 E397 L401 A421 | L396-G399 WeakPolarHBondContact O-CA 3.27Å; L396-G399 PolarHBondContact O-N 3.19Å; E397-G399 PolarHBondContact O-N 2.93Å; G399-L401 VanDerWaalsContact C-N 3.32Å; G399-A421 VanDerWaalsContact O-CB 3.31Å; G399-A421 WeakPolarHBondContact O-CB 3.29Å |
| 400 | V | 97.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -68.2 | -36.6 | 175.4 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | L395 K398 V417 D418 A421 L422 Y425 I455 | L395-V400 HydrophobicContact CB-CB 4.25Å; L395-V400 HydrophobicContact CD2-CB 4.09Å; L395-V400 HydrophobicContact CD2-CG1 4.1Å; L395-V400 HydrophobicContact CD2-CG2 4.19Å; L395-V400 WeakPolarHBondContact O-CA 3.45Å; L395-V400 WeakPolarHBondContact O-CB 3.27Å; L395-V400 PolarHBondContact O-N 3.46Å; K398-V400 HydrophobicContact CB-CG2 4.14Å; K398-V400 PolarHBondContact O-N 3.39Å; V400-V417 WeakPolarHBondContact O-CA 3.43Å; V400-D418 PolarHBondContact O-N 2.95Å; V400-A421 HydrophobicContact CG2-CB 4.16Å; V400-L422 HydrophobicContact CG1-CB 3.97Å; V400-L422 HydrophobicContact CG1-CD1 3.75Å; V400-L422 HydrophobicContact CG1-CG 4.44Å; V400-Y425 HydrophobicContact CG2-CD2 3.77Å; V400-Y425 HydrophobicContact CG2-CG 4.01Å; V400-I455 HydrophobicContact CG1-CD1 4.5Å |
| 401 | L | 96.8 | Very high | 93.2 | Very high | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 30% | 0.297 | C | S | . | . | B | Isolated β-bridge | trans | -108.8 | 127.6 | 169.7 | -60.5 | 174.2 | 0 | 0 | 0 | 108.4 | I330 K392 L395 L396 G399 L411 L412 V417 | I330-L401 HydrophobicContact CD1-CD1 4.38Å; K392-L401 HydrophobicContact CG-CD1 4.44Å; L395-L401 HydrophobicContact CB-CD1 3.72Å; L395-L401 HydrophobicContact CB-CG 3.93Å; L395-L401 HydrophobicContact CD1-CD1 4.14Å; L395-L401 PolarHBondContact O-N 2.92Å; L396-L401 HydrophobicContact CD2-CB 3.69Å; L396-L401 HydrophobicContact CG-CB 4.18Å; G399-L401 VanDerWaalsContact C-N 3.32Å; L401-L411 HydrophobicContact CD1-CD1 4.04Å; L401-L411 HydrophobicContact CD1-CD2 4.4Å; L401-L411 HydrophobicContact CD1-CG 4.1Å; L401-L412 HydrophobicContact CD2-CD2 4.03Å; L401-V417 HydrophobicContact CD2-CG2 4.04Å |
| 402 | K | 95.3 | Very high | 93.2 | Very high | 115 Ų | 115 | 56.9 Ų | 56.9 | 50% | 0.5 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -80.6 | -29.9 | -175.6 | -64.3 | 165.8 | -160.7 | 163.4 | 0 | 113.3 | D415 N416 V417 | K402-D415 WeakPolarHBondContact CD-O 3.34Å; K402-D415 PolarHBondContact NZ-O 2.87Å; K402-N416 VanDerWaalsContact CG-O 3.3Å; K402-N416 WeakPolarHBondContact CG-O 3.26Å; K402-N416 PolarHBondContact N-O 3.47Å; K402-V417 PolarHBondContact NZ-O 3.22Å |
| 403 | Q | 93.7 | Very high | 93.1 | Very high | 110 Ų | 110 | 54.9 Ų | 54.9 | 51% | 0.514 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -140 | 143.5 | -179.9 | -63.3 | 174.9 | -35.7 | 0 | 0 | 109.1 | R405 N416 | Q403-R405 HydrophobicContact CB-CG 4.25Å; Q403-N416 WeakPolarHBondContact CB-OD1 3.4Å; Q403-N416 PolarHBondContact N-OD1 2.9Å; Q403-N416 PolarHBondContact O-ND2 3.09Å; Q403-N416 PolarHBondContact O-OD1 3.26Å |
| 404 | D | 94.9 | Very high | 93 | Very high | 86 Ų | 86 | 60 Ų | 60 | 46% | 0.46 | 31% | 0.308 | S | S | . | . | trans | -74.6 | 136.3 | 163.2 | -160.5 | -5.6 | 0 | 0 | 0 | 109.3 | K392 L396 | K392-D404 VanDerWaalsContact CD-OD1 3.3Å; K392-D404 WeakPolarHBondContact CD-OD1 3.37Å; K392-D404 WeakPolarHBondContact CE-OD1 2.9Å; K392-D404 WeakPolarHBondContact CE-OD2 3.44Å; K392-D404 IonicContact NZ-OD1 3.31Å; K392-D404 PolarHBondContact NZ-OD1 2.93Å; K392-D404 IonicContact NZ-OD2 3.29Å; K392-D404 PolarHBondContact NZ-OD2 2.84Å; L396-D404 HydrophobicContact CD1-CB 3.89Å; L396-D404 HydrophobicContact CD2-CB 4.16Å | ||
| 405 | R | 92.4 | Very high | 92.9 | Very high | 57 Ų | 57 | 64.6 Ų | 64.6 | 22% | 0.215 | 33% | 0.332 | C | S | . | . | trans | -147.4 | 137 | -172.7 | -65.6 | 178 | 174.5 | -173.7 | 0.7 | 109.3 | Q403 D407 S410 L411 S413 D415 | Q403-R405 HydrophobicContact CB-CG 4.25Å; R405-D407 PolarHBondContact O-N 3.01Å; R405-S410 WeakPolarHBondContact CD-O 3.44Å; R405-S410 PolarHBondContact NH1-O 2.89Å; R405-L411 HydrophobicContact CB-CB 4.32Å; R405-L411 HydrophobicContact CB-CD1 4.18Å; R405-S413 PolarHBondContact NH1-OG 3.26Å; R405-D415 IonicContact CZ-OD2 3.77Å; R405-D415 VanDerWaalsContact CZ-OD2 3.28Å; R405-D415 IonicContact NH1-OD2 3.2Å; R405-D415 PolarHBondContact NH1-OD2 2.92Å; R405-D415 IonicContact NH2-OD2 3.27Å; R405-D415 PolarHBondContact NH2-OD2 2.9Å | ||
| 406 | D | 85.9 | Confident | 92.8 | Very high | 170 Ų | 170 | 64.6 Ų | 64.6 | 91% | 0.909 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -68.6 | -34.1 | -162.1 | -54.3 | -63.8 | 0 | 0 | 0 | 115.5 | ||
| 407 | D | 84.8 | Confident | 92.8 | Very high | 45 Ų | 45 | 63 Ų | 63 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -104.5 | 141.1 | -180 | -168.8 | 70.1 | 0 | 0 | 0 | 112.9 | R325 R405 V409 S410 L411 R460 | R325-D407 IonicContact CZ-OD1 2.98Å; R325-D407 IonicContact NH1-OD1 3.88Å; R325-D407 PolarHBondContact NH1-OD1 3.47Å; R325-D407 IonicContact NH2-OD1 2.85Å; R325-D407 PolarHBondContact NH2-OD1 2.99Å; R405-D407 PolarHBondContact O-N 3.01Å; D407-V409 PolarHBondContact O-N 2.85Å; D407-V409 WeakPolarHBondContact OD2-CB 3.43Å; D407-V409 WeakPolarHBondContact OD2-CG2 3.31Å; D407-V409 PolarHBondContact OD2-N 2.82Å; D407-V409 VanDerWaalsContact OD2-N 3.08Å; D407-S410 PolarHBondContact O-N 2.96Å; D407-S410 PolarHBondContact O-OG 3.02Å; D407-S410 VanDerWaalsContact O-OG 3.07Å; D407-L411 WeakPolarHBondContact O-CB 3.47Å; D407-L411 PolarHBondContact O-N 2.95Å; D407-R460 IonicContact OD1-CZ 2.66Å; D407-R460 IonicContact OD1-NH2 3.59Å; D407-R460 PolarHBondContact OD1-NH2 3.49Å; D407-R460 IonicContact OD2-CZ 2.99Å; D407-R460 IonicContact OD2-NH2 3.17Å; D407-R460 PolarHBondContact OD2-NH2 3.47Å |
| 408 | S | 86.4 | Confident | 92.9 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.021 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -55.4 | -30 | -178.3 | 61.7 | 0 | 0 | 0 | 0 | 113.7 | L412 D457 R460 | S408-L412 WeakPolarHBondContact O-CB 3.32Å; S408-L412 WeakPolarHBondContact O-CG 3.28Å; S408-L412 PolarHBondContact O-N 2.91Å; S408-L412 VanDerWaalsContact O-N 3.11Å; S408-D457 VanDerWaalsContact CB-OD2 3.23Å; S408-D457 WeakPolarHBondContact CB-OD2 3.42Å; S408-D457 PolarHBondContact OG-OD2 3.09Å; S408-R460 PolarHBondContact OG-NE 3Å; S408-R460 VanDerWaalsContact OG-NE 3.12Å |
| 409 | V | 87 | Confident | 92.8 | Very high | 95 Ų | 95 | 61.3 Ų | 61.3 | 58% | 0.576 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -75.5 | -33.6 | 179.5 | -176.1 | 0 | 0 | 0 | 0 | 112.4 | D407 | D407-V409 PolarHBondContact O-N 2.85Å; D407-V409 WeakPolarHBondContact OD2-CB 3.43Å; D407-V409 WeakPolarHBondContact OD2-CG2 3.31Å; D407-V409 PolarHBondContact OD2-N 2.82Å; D407-V409 VanDerWaalsContact OD2-N 3.08Å |
| 410 | S | 89.9 | Confident | 92.7 | Very high | 49 Ų | 49 | 67.9 Ų | 67.9 | 34% | 0.343 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -86.7 | -27.9 | 175.8 | 61.8 | 0 | 0 | 0 | 0 | 112.5 | R405 D407 S413 | R405-S410 WeakPolarHBondContact CD-O 3.44Å; R405-S410 PolarHBondContact NH1-O 2.89Å; D407-S410 PolarHBondContact O-N 2.96Å; D407-S410 PolarHBondContact O-OG 3.02Å; D407-S410 VanDerWaalsContact O-OG 3.07Å; S410-S413 PolarHBondContact O-OG 3.24Å; S410-S413 VanDerWaalsContact O-OG 3.05Å |
| 411 | L | 92.9 | Very high | 92.7 | Very high | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.3 | -46 | 173.4 | -173.2 | 71.1 | 0 | 0 | 0 | 111.9 | L328 I330 K392 L401 R405 D407 S413 N416 | L328-L411 HydrophobicContact CD1-CD2 4.27Å; L328-L411 HydrophobicContact CD2-CD2 4.1Å; I330-L411 HydrophobicContact CD1-CD2 3.86Å; K392-L411 HydrophobicContact CD-CD1 4.32Å; K392-L411 HydrophobicContact CD-CD2 3.93Å; K392-L411 HydrophobicContact CG-CD2 4.15Å; L401-L411 HydrophobicContact CD1-CD1 4.04Å; L401-L411 HydrophobicContact CD1-CD2 4.4Å; L401-L411 HydrophobicContact CD1-CG 4.1Å; R405-L411 HydrophobicContact CB-CB 4.32Å; R405-L411 HydrophobicContact CB-CD1 4.18Å; D407-L411 WeakPolarHBondContact O-CB 3.47Å; D407-L411 PolarHBondContact O-N 2.95Å; L411-S413 VanDerWaalsContact C-N 3.33Å; L411-S413 PolarHBondContact O-N 3Å; L411-N416 WeakPolarHBondContact O-CB 3.43Å; L411-N416 PolarHBondContact O-ND2 2.88Å |
| 412 | L | 93.5 | Very high | 92.7 | Very high | 28 Ų | 28 | 68.9 Ų | 68.9 | 15% | 0.147 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 21.5 | -179.1 | -54.6 | -175.1 | 0 | 0 | 0 | 113.2 | I330 L401 S408 I455 D457 | I330-L412 HydrophobicContact CD1-CD2 4.25Å; I330-L412 HydrophobicContact CG1-CD1 4.43Å; I330-L412 HydrophobicContact CG1-CD2 4.3Å; I330-L412 HydrophobicContact CG2-CD1 4.1Å; I330-L412 HydrophobicContact CG2-CD2 3.77Å; L401-L412 HydrophobicContact CD2-CD2 4.03Å; S408-L412 WeakPolarHBondContact O-CB 3.32Å; S408-L412 WeakPolarHBondContact O-CG 3.28Å; S408-L412 PolarHBondContact O-N 2.91Å; S408-L412 VanDerWaalsContact O-N 3.11Å; L412-I455 HydrophobicContact CD2-CD1 4Å; L412-I455 HydrophobicContact CD2-CG1 4.26Å; L412-D457 HydrophobicContact CD1-CB 4.01Å |
| 413 | S | 92.9 | Very high | 92.8 | Very high | 25 Ų | 25 | 65.8 Ų | 65.8 | 18% | 0.175 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -73.6 | 152.1 | 176.8 | 74.1 | 0 | 0 | 0 | 0 | 111.7 | R405 S410 L411 D415 N416 V417 | R405-S413 PolarHBondContact NH1-OG 3.26Å; S410-S413 PolarHBondContact O-OG 3.24Å; S410-S413 VanDerWaalsContact O-OG 3.05Å; L411-S413 VanDerWaalsContact C-N 3.33Å; L411-S413 PolarHBondContact O-N 3Å; S413-D415 WeakPolarHBondContact CB-OD1 3.36Å; S413-D415 PolarHBondContact O-N 3.07Å; S413-D415 VanDerWaalsContact O-N 3.15Å; S413-D415 PolarHBondContact OG-OD1 2.97Å; S413-D415 PolarHBondContact OG-OD2 2.82Å; S413-N416 PolarHBondContact O-N 3.48Å; S413-V417 PolarHBondContact O-N 2.81Å; S413-V417 VanDerWaalsContact O-N 3.14Å |
| 414 | K | 91.4 | Very high | 93 | Very high | 192 Ų | 192 | 63 Ų | 63 | 84% | 0.835 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -22.4 | -172.4 | -67.1 | -179.4 | 179.2 | 176.1 | 0 | 114.5 | ||
| 415 | D | 93.6 | Very high | 93.1 | Very high | 95 Ų | 95 | 59 Ų | 59 | 51% | 0.508 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -33.2 | 172.4 | 56.3 | -68.6 | 0 | 0 | 0 | 112.2 | K402 R405 S413 | K402-D415 WeakPolarHBondContact CD-O 3.34Å; K402-D415 PolarHBondContact NZ-O 2.87Å; R405-D415 IonicContact CZ-OD2 3.77Å; R405-D415 VanDerWaalsContact CZ-OD2 3.28Å; R405-D415 IonicContact NH1-OD2 3.2Å; R405-D415 PolarHBondContact NH1-OD2 2.92Å; R405-D415 IonicContact NH2-OD2 3.27Å; R405-D415 PolarHBondContact NH2-OD2 2.9Å; S413-D415 WeakPolarHBondContact CB-OD1 3.36Å; S413-D415 PolarHBondContact O-N 3.07Å; S413-D415 VanDerWaalsContact O-N 3.15Å; S413-D415 PolarHBondContact OG-OD1 2.97Å; S413-D415 PolarHBondContact OG-OD2 2.82Å |
| 416 | N | 96.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 56.3 Ų | 56.3 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -28.1 | -178.2 | -158.8 | 39.4 | 0 | 0 | 0 | 113.8 | K402 Q403 L411 S413 | K402-N416 VanDerWaalsContact CG-O 3.3Å; K402-N416 WeakPolarHBondContact CG-O 3.26Å; K402-N416 PolarHBondContact N-O 3.47Å; Q403-N416 WeakPolarHBondContact CB-OD1 3.4Å; Q403-N416 PolarHBondContact N-OD1 2.9Å; Q403-N416 PolarHBondContact O-ND2 3.09Å; Q403-N416 PolarHBondContact O-OD1 3.26Å; L411-N416 WeakPolarHBondContact O-CB 3.43Å; L411-N416 PolarHBondContact O-ND2 2.88Å; S413-N416 PolarHBondContact O-N 3.48Å |
| 417 | V | 96.1 | Very high | 93.8 | Very high | 14 Ų | 14 | 52.1 Ų | 52.1 | 9% | 0.085 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -82.4 | 132.5 | 179.6 | -180 | 0 | 0 | 0 | 0 | 110.8 | V400 L401 K402 S413 L422 I455 | V400-V417 WeakPolarHBondContact O-CA 3.43Å; L401-V417 HydrophobicContact CD2-CG2 4.04Å; K402-V417 PolarHBondContact NZ-O 3.22Å; S413-V417 PolarHBondContact O-N 2.81Å; S413-V417 VanDerWaalsContact O-N 3.14Å; V417-L422 HydrophobicContact CG1-CD2 4.32Å; V417-I455 HydrophobicContact CG1-CG2 4.21Å; V417-I455 HydrophobicContact CG2-CG2 4.02Å |
| 418 | D | 96.5 | Very high | 94.4 | Very high | 55 Ų | 55 | 53.2 Ų | 53.2 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | trans | -95.5 | 113.6 | 166.1 | -168.6 | -55.1 | 0 | 0 | 0 | 110.8 | V400 K420 A421 L422 | V400-D418 PolarHBondContact O-N 2.95Å; D418-K420 VanDerWaalsContact C-N 3.29Å; D418-K420 PolarHBondContact O-N 3.42Å; D418-K420 WeakPolarHBondContact OD1-CA 3.4Å; D418-K420 WeakPolarHBondContact OD1-CB 3.36Å; D418-K420 PolarHBondContact OD1-N 2.97Å; D418-A421 HydrophobicContact CB-CB 3.99Å; D418-A421 PolarHBondContact O-N 3.26Å; D418-A421 PolarHBondContact OD1-N 3.4Å; D418-A421 VanDerWaalsContact OD1-N 3.08Å; D418-L422 VanDerWaalsContact O-CB 3.3Å; D418-L422 WeakPolarHBondContact O-CB 3.35Å; D418-L422 PolarHBondContact O-N 2.72Å | ||
| 419 | K | 94.4 | Very high | 94.8 | Very high | 109 Ų | 109 | 53 Ų | 53 | 47% | 0.474 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.6 | -26.2 | 179.6 | -74.9 | -164.5 | 177.4 | -166.8 | 0 | 114.2 | Q423 E450 | K419-Q423 VanDerWaalsContact O-CG 3.23Å; K419-Q423 WeakPolarHBondContact O-CG 3.43Å; K419-Q423 PolarHBondContact O-N 3.25Å; K419-Q423 PolarHBondContact O-NE2 3.07Å; K419-E450 IonicContact NZ-OE1 2.79Å; K419-E450 PolarHBondContact NZ-OE1 3.19Å; K419-E450 IonicContact NZ-OE2 2.67Å; K419-E450 PolarHBondContact NZ-OE2 3.13Å |
| 420 | K | 95.5 | Very high | 95.2 | Very high | 171 Ų | 171 | 48.5 Ų | 48.5 | 74% | 0.743 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -79.5 | -44.4 | 178 | -67.1 | -177.6 | 177.6 | 179.5 | 0 | 110.6 | D418 L422 Q423 A424 | D418-K420 VanDerWaalsContact C-N 3.29Å; D418-K420 PolarHBondContact O-N 3.42Å; D418-K420 WeakPolarHBondContact OD1-CA 3.4Å; D418-K420 WeakPolarHBondContact OD1-CB 3.36Å; D418-K420 PolarHBondContact OD1-N 2.97Å; K420-L422 VanDerWaalsContact C-N 3.32Å; K420-L422 PolarHBondContact O-N 2.69Å; K420-Q423 WeakPolarHBondContact O-CB 3.4Å; K420-Q423 PolarHBondContact O-N 2.86Å; K420-A424 PolarHBondContact O-N 3.02Å |
| 421 | A | 97.2 | Very high | 95.5 | Very high | 20 Ų | 20 | 48.6 Ų | 48.6 | 17% | 0.165 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -61.5 | -42.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | G399 V400 D418 Q423 A424 Y425 | G399-A421 VanDerWaalsContact O-CB 3.31Å; G399-A421 WeakPolarHBondContact O-CB 3.29Å; V400-A421 HydrophobicContact CG2-CB 4.16Å; D418-A421 HydrophobicContact CB-CB 3.99Å; D418-A421 PolarHBondContact O-N 3.26Å; D418-A421 PolarHBondContact OD1-N 3.4Å; D418-A421 VanDerWaalsContact OD1-N 3.08Å; A421-Q423 VanDerWaalsContact C-N 3.31Å; A421-Q423 PolarHBondContact O-N 3.41Å; A421-A424 PolarHBondContact O-N 3.47Å; A421-A424 VanDerWaalsContact O-N 3.11Å; A421-Y425 WeakPolarHBondContact O-CB 3.33Å; A421-Y425 PolarHBondContact O-N 2.8Å |
| 422 | L | 97.3 | Very high | 95.5 | Very high | 5 Ų | 5 | 50.4 Ų | 50.4 | 3% | 0.026 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.2 | -41.7 | 173.4 | -175.5 | 62.6 | 0 | 0 | 0 | 112.5 | I332 V400 V417 D418 K420 A426 V453 I455 | I332-L422 HydrophobicContact CD1-CD1 3.63Å; I332-L422 HydrophobicContact CG1-CD1 3.85Å; I332-L422 HydrophobicContact CG2-CD1 3.95Å; V400-L422 HydrophobicContact CG1-CB 3.97Å; V400-L422 HydrophobicContact CG1-CD1 3.75Å; V400-L422 HydrophobicContact CG1-CG 4.44Å; V417-L422 HydrophobicContact CG1-CD2 4.32Å; D418-L422 VanDerWaalsContact O-CB 3.3Å; D418-L422 WeakPolarHBondContact O-CB 3.35Å; D418-L422 PolarHBondContact O-N 2.72Å; K420-L422 VanDerWaalsContact C-N 3.32Å; K420-L422 PolarHBondContact O-N 2.69Å; L422-A426 VanDerWaalsContact O-CB 3.24Å; L422-A426 WeakPolarHBondContact O-CB 3.28Å; L422-A426 PolarHBondContact O-N 3.45Å; L422-V453 HydrophobicContact CD1-CG2 4.42Å; L422-V453 HydrophobicContact CD2-CG2 4.11Å; L422-V453 HydrophobicContact CG-CG2 3.86Å; L422-I455 HydrophobicContact CD1-CD1 4.39Å; L422-I455 HydrophobicContact CD2-CB 4.35Å |
| 423 | Q | 97.2 | Very high | 95.4 | Very high | 49 Ų | 49 | 49.6 Ų | 49.6 | 23% | 0.229 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -66.4 | -37.9 | 174.9 | -79.4 | 169.7 | 70.6 | 0 | 0 | 112.8 | K419 K420 A421 K427 F443 V453 | K419-Q423 VanDerWaalsContact O-CG 3.23Å; K419-Q423 WeakPolarHBondContact O-CG 3.43Å; K419-Q423 PolarHBondContact O-N 3.25Å; K419-Q423 PolarHBondContact O-NE2 3.07Å; K420-Q423 WeakPolarHBondContact O-CB 3.4Å; K420-Q423 PolarHBondContact O-N 2.86Å; A421-Q423 VanDerWaalsContact C-N 3.31Å; A421-Q423 PolarHBondContact O-N 3.41Å; Q423-K427 WeakPolarHBondContact O-CB 3.45Å; Q423-K427 WeakPolarHBondContact O-CG 3.3Å; Q423-K427 PolarHBondContact O-N 3.44Å; Q423-K427 VanDerWaalsContact O-N 3.09Å; Q423-F443 HydrophobicContact CB-CE2 3.75Å; Q423-F443 HydrophobicContact CB-CZ 3.67Å; Q423-F443 HydrophobicContact CG-CD2 4.43Å; Q423-F443 HydrophobicContact CG-CE1 4.43Å; Q423-F443 HydrophobicContact CG-CE2 3.6Å; Q423-F443 HydrophobicContact CG-CZ 3.62Å; Q423-V453 HydrophobicContact CG-CG1 3.58Å |
| 424 | A | 96.8 | Very high | 95.4 | Very high | 53 Ų | 53 | 48.8 Ų | 48.8 | 44% | 0.438 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66 | -51.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | K420 A421 A426 K427 E428 | K420-A424 PolarHBondContact O-N 3.02Å; A421-A424 PolarHBondContact O-N 3.47Å; A421-A424 VanDerWaalsContact O-N 3.11Å; A424-A426 VanDerWaalsContact C-N 3.31Å; A424-A426 PolarHBondContact O-N 2.83Å; A424-K427 PolarHBondContact O-N 3.37Å; A424-K427 VanDerWaalsContact O-N 3.09Å; A424-E428 WeakPolarHBondContact O-CB 3.49Å; A424-E428 PolarHBondContact O-N 2.88Å |
| 425 | Y | 97.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.008 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -52.5 | -47.3 | 176 | -164.4 | -84.4 | 0 | 0 | 0 | 111.8 | I332 I371 L373 M388 A390 S394 L395 K398 V400 A421 T429 | I332-Y425 HydrophobicContact CD1-CD1 3.91Å; I332-Y425 HydrophobicContact CD1-CE1 3.98Å; I371-Y425 HydrophobicContact CD1-CD2 4.32Å; I371-Y425 HydrophobicContact CD1-CE2 4.47Å; I371-Y425 HydrophobicContact CD1-CG 4.39Å; I371-Y425 HydrophobicContact CG1-CD2 4.29Å; I371-Y425 HydrophobicContact CG1-CE2 4.02Å; I371-Y425 HydrophobicContact CG2-CE1 3.91Å; I371-Y425 HydrophobicContact CG2-CE2 4.32Å; L373-Y425 HydrophobicContact CD2-CE1 4.17Å; M388-Y425 HydrophobicContact SD-CD1 4.44Å; M388-Y425 HydrophobicContact SD-CE1 4.34Å; A390-Y425 HydrophobicContact CB-CE1 4.14Å; S394-Y425 PolarHBondContact OG-OH 3.42Å; L395-Y425 HydrophobicContact CD2-CD1 4.37Å; L395-Y425 HydrophobicContact CD2-CD2 4.31Å; L395-Y425 HydrophobicContact CD2-CE1 3.9Å; L395-Y425 HydrophobicContact CD2-CE2 3.85Å; K398-Y425 HydrophobicContact CB-CD2 3.65Å; K398-Y425 HydrophobicContact CB-CE2 4Å; K398-Y425 HydrophobicContact CD-CD2 4.44Å; K398-Y425 HydrophobicContact CG-CD2 3.71Å; K398-Y425 HydrophobicContact CG-CE2 3.82Å; V400-Y425 HydrophobicContact CG2-CD2 3.77Å; V400-Y425 HydrophobicContact CG2-CG 4.01Å; A421-Y425 WeakPolarHBondContact O-CB 3.33Å; A421-Y425 PolarHBondContact O-N 2.8Å; Y425-T429 VanDerWaalsContact O-CB 3.28Å; Y425-T429 WeakPolarHBondContact O-CB 3.38Å; Y425-T429 PolarHBondContact O-N 2.85Å; Y425-T429 PolarHBondContact O-OG1 3.06Å |
| 426 | A | 96.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | V334 L422 A424 A430 V453 | V334-A426 HydrophobicContact CG1-CB 4.01Å; V334-A426 HydrophobicContact CG2-CB 3.67Å; L422-A426 VanDerWaalsContact O-CB 3.24Å; L422-A426 WeakPolarHBondContact O-CB 3.28Å; L422-A426 PolarHBondContact O-N 3.45Å; A424-A426 VanDerWaalsContact C-N 3.31Å; A424-A426 PolarHBondContact O-N 2.83Å; A426-A430 VanDerWaalsContact O-CB 3.3Å; A426-A430 WeakPolarHBondContact O-CB 3.22Å; A426-A430 PolarHBondContact O-N 3.17Å; A426-V453 HydrophobicContact CB-CG2 4.1Å |
| 427 | K | 96.5 | Very high | 94.9 | Very high | 82 Ų | 82 | 46 Ų | 46 | 36% | 0.357 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -70 | -45.8 | 178.4 | -82.5 | 178.8 | 158.5 | -172.1 | 0 | 112.8 | F336 Q423 A424 A430 S431 L441 F443 | F336-K427 HydrophobicContact CE1-CG 3.82Å; F336-K427 HydrophobicContact CZ-CG 4.14Å; Q423-K427 WeakPolarHBondContact O-CB 3.45Å; Q423-K427 WeakPolarHBondContact O-CG 3.3Å; Q423-K427 PolarHBondContact O-N 3.44Å; Q423-K427 VanDerWaalsContact O-N 3.09Å; A424-K427 PolarHBondContact O-N 3.37Å; A424-K427 VanDerWaalsContact O-N 3.09Å; K427-A430 PolarHBondContact O-N 3.08Å; K427-S431 VanDerWaalsContact O-CB 3.28Å; K427-S431 WeakPolarHBondContact O-CB 3.44Å; K427-S431 PolarHBondContact O-N 3.28Å; K427-L441 WeakPolarHBondContact CE-O 3.46Å; K427-L441 HydrophobicContact CG-CB 4.26Å; K427-L441 PolarHBondContact NZ-O 3.26Å; K427-L441 WeakPolarHBondContact O-CD1 3.38Å; K427-F443 HydrophobicContact CD-CE2 3.94Å; K427-F443 HydrophobicContact CD-CZ 4.07Å; K427-F443 VanDerWaalsContact CE-CE2 3.45Å; K427-F443 HydrophobicContact CG-CE2 4.22Å; K427-F443 HydrophobicContact CG-CZ 3.84Å |
| 428 | E | 96.1 | Very high | 94.7 | Very high | 67 Ų | 67 | 45.6 Ų | 45.6 | 31% | 0.313 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.9 | -48.2 | 177.8 | -172.9 | 176.3 | -176.7 | 0 | 0 | 110.3 | I371 K398 A424 S431 Y432 | I371-E428 HydrophobicContact CD1-CB 3.9Å; I371-E428 HydrophobicContact CD1-CG 3.79Å; K398-E428 IonicContact NZ-OE1 3.59Å; K398-E428 PolarHBondContact NZ-OE1 3.35Å; K398-E428 IonicContact NZ-OE2 2.84Å; K398-E428 PolarHBondContact NZ-OE2 3.18Å; A424-E428 WeakPolarHBondContact O-CB 3.49Å; A424-E428 PolarHBondContact O-N 2.88Å; E428-S431 PolarHBondContact O-N 2.93Å; E428-Y432 WeakPolarHBondContact O-CB 3.42Å; E428-Y432 PolarHBondContact O-N 2.9Å |
| 429 | T | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.4 | -55.1 | 173.3 | -55.7 | 0 | 0 | 0 | 0 | 111.7 | I371 L373 I376 M388 Y425 S431 Y432 V433 | I371-T429 WeakPolarHBondContact CD1-OG1 3.19Å; L373-T429 HydrophobicContact CD1-CG2 3.95Å; I376-T429 HydrophobicContact CD1-CG2 3.42Å; I376-T429 VanDerWaalsContact CD1-CG2 3.42Å; M388-T429 HydrophobicContact CE-CG2 3.63Å; M388-T429 HydrophobicContact SD-CG2 3.83Å; Y425-T429 VanDerWaalsContact O-CB 3.28Å; Y425-T429 WeakPolarHBondContact O-CB 3.38Å; Y425-T429 PolarHBondContact O-N 2.85Å; Y425-T429 PolarHBondContact O-OG1 3.06Å; T429-S431 VanDerWaalsContact C-N 3.32Å; T429-S431 PolarHBondContact O-N 3.16Å; T429-Y432 PolarHBondContact O-N 3.3Å; T429-V433 HydrophobicContact CG2-CG2 3.88Å; T429-V433 WeakPolarHBondContact O-CB 3.26Å; T429-V433 WeakPolarHBondContact O-CG2 3.24Å; T429-V433 PolarHBondContact O-N 3.02Å |
| 430 | A | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.3 | -34.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | F336 F386 A426 K427 T434 L441 | F336-A430 HydrophobicContact CD2-CB 4.49Å; F336-A430 HydrophobicContact CE2-CB 3.53Å; F336-A430 HydrophobicContact CZ-CB 3.97Å; F386-A430 HydrophobicContact CD1-CB 4.35Å; F386-A430 HydrophobicContact CD2-CB 4.17Å; F386-A430 HydrophobicContact CE1-CB 3.98Å; F386-A430 HydrophobicContact CE2-CB 3.79Å; F386-A430 HydrophobicContact CG-CB 4.44Å; F386-A430 HydrophobicContact CZ-CB 3.69Å; A426-A430 VanDerWaalsContact O-CB 3.3Å; A426-A430 WeakPolarHBondContact O-CB 3.22Å; A426-A430 PolarHBondContact O-N 3.17Å; K427-A430 PolarHBondContact O-N 3.08Å; A430-T434 WeakPolarHBondContact O-CG2 3.29Å; A430-T434 PolarHBondContact O-N 3.32Å; A430-T434 PolarHBondContact O-OG1 2.98Å; A430-L441 HydrophobicContact CB-CD1 4.09Å; A430-L441 HydrophobicContact CB-CD2 4.09Å |
| 431 | S | 95 | Very high | 93.9 | Very high | 50 Ų | 50 | 42.8 Ų | 42.8 | 35% | 0.35 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.8 | -53.4 | 173.7 | -173 | 0 | 0 | 0 | 0 | 110.8 | K427 E428 T429 V433 T434 N435 G436 | K427-S431 VanDerWaalsContact O-CB 3.28Å; K427-S431 WeakPolarHBondContact O-CB 3.44Å; K427-S431 PolarHBondContact O-N 3.28Å; E428-S431 PolarHBondContact O-N 2.93Å; T429-S431 VanDerWaalsContact C-N 3.32Å; T429-S431 PolarHBondContact O-N 3.16Å; S431-V433 PolarHBondContact O-N 3.27Å; S431-T434 PolarHBondContact O-N 3.19Å; S431-T434 PolarHBondContact O-OG1 3.22Å; S431-N435 PolarHBondContact O-N 3.48Å; S431-G436 PolarHBondContact O-N 3.45Å |
| 432 | Y | 94 | Very high | 93.9 | Very high | 41 Ų | 41 | 44.5 Ų | 44.5 | 16% | 0.161 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -57.9 | -50.5 | 179 | -173.1 | -81.9 | 0 | 0 | 0 | 112 | F361 R364 L365 E368 T369 E428 T429 T434 N435 | F361-Y432 HydrophobicContact CE2-CD1 4.38Å; F361-Y432 AromaticContact CE2-CE1 4Å; F361-Y432 HydrophobicContact CE2-CE1 4Å; F361-Y432 HydrophobicContact CZ-CE1 4.49Å; R364-Y432 PolarHBondContact NH1-OH 2.72Å; L365-Y432 HydrophobicContact CB-CD1 4.41Å; L365-Y432 HydrophobicContact CB-CE1 3.98Å; L365-Y432 HydrophobicContact CD1-CD1 3.31Å; L365-Y432 HydrophobicContact CD1-CD2 4.25Å; L365-Y432 HydrophobicContact CD1-CE1 3.75Å; L365-Y432 HydrophobicContact CD1-CG 3.6Å; L365-Y432 HydrophobicContact CG-CD1 4.41Å; L365-Y432 HydrophobicContact CG-CE1 4.47Å; E368-Y432 HydrophobicContact CB-CE2 3.99Å; E368-Y432 VanDerWaalsContact CD-OH 3.22Å; E368-Y432 WeakPolarHBondContact OE2-CE2 3.49Å; E368-Y432 VanDerWaalsContact OE2-CZ 3.26Å; E368-Y432 PolarHBondContact OE2-OH 2.98Å; T369-Y432 HydrophobicContact CG2-CD2 3.52Å; T369-Y432 HydrophobicContact CG2-CE2 4.01Å; T369-Y432 HydrophobicContact CG2-CG 4.19Å; E428-Y432 WeakPolarHBondContact O-CB 3.42Å; E428-Y432 PolarHBondContact O-N 2.9Å; T429-Y432 PolarHBondContact O-N 3.3Å; Y432-T434 PolarHBondContact O-N 3.21Å; Y432-N435 PolarHBondContact O-N 2.97Å |
| 433 | V | 92 | Very high | 93.9 | Very high | 11 Ų | 11 | 45.4 Ų | 45.4 | 7% | 0.067 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -66 | -21.9 | -174.6 | 171.3 | 0 | 0 | 0 | 0 | 112.6 | I350 F361 I376 F386 T429 S431 | I350-V433 HydrophobicContact CD1-CG1 3.28Å; F361-V433 HydrophobicContact CZ-CG2 3.97Å; I376-V433 HydrophobicContact CD1-CB 4.31Å; I376-V433 HydrophobicContact CD1-CG1 4.02Å; I376-V433 HydrophobicContact CD1-CG2 3.65Å; I376-V433 HydrophobicContact CG1-CG1 4.45Å; I376-V433 HydrophobicContact CG2-CG1 4.49Å; F386-V433 HydrophobicContact CE1-CG1 4.34Å; T429-V433 HydrophobicContact CG2-CG2 3.88Å; T429-V433 WeakPolarHBondContact O-CB 3.26Å; T429-V433 WeakPolarHBondContact O-CG2 3.24Å; T429-V433 PolarHBondContact O-N 3.02Å; S431-V433 PolarHBondContact O-N 3.27Å |
| 434 | T | 92.1 | Very high | 93.8 | Very high | 8 Ų | 8 | 43.5 Ų | 43.5 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 12.8 | 173.8 | 62.2 | 0 | 0 | 0 | 0 | 113.6 | V347 Y378 F386 A430 S431 Y432 G436 A437 L438 | V347-T434 HydrophobicContact CG1-CG2 3.99Å; Y378-T434 HydrophobicContact CD1-CG2 4.38Å; Y378-T434 HydrophobicContact CE1-CG2 4.4Å; F386-T434 HydrophobicContact CE1-CG2 4.23Å; F386-T434 HydrophobicContact CZ-CG2 3.92Å; A430-T434 WeakPolarHBondContact O-CG2 3.29Å; A430-T434 PolarHBondContact O-N 3.32Å; A430-T434 PolarHBondContact O-OG1 2.98Å; S431-T434 PolarHBondContact O-N 3.19Å; S431-T434 PolarHBondContact O-OG1 3.22Å; Y432-T434 PolarHBondContact O-N 3.21Å; T434-G436 PolarHBondContact O-N 3.28Å; T434-A437 WeakPolarHBondContact O-CB 3.13Å; T434-A437 PolarHBondContact O-N 2.8Å; T434-L438 HydrophobicContact CG2-CD1 3.88Å; T434-L438 HydrophobicContact CG2-CG 4.06Å |
| 435 | N | 90.6 | Very high | 93.7 | Very high | 153 Ų | 153 | 46.3 Ų | 46.3 | 82% | 0.818 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 33.6 | -175.7 | -55.7 | -43.4 | 0 | 0 | 0 | 113.3 | S431 Y432 A437 | S431-N435 PolarHBondContact O-N 3.48Å; Y432-N435 PolarHBondContact O-N 2.97Å; N435-A437 PolarHBondContact O-N 3.17Å |
| 436 | G | 88.6 | Confident | 93.4 | Very high | 32 Ų | 32 | 47.8 Ų | 47.8 | 33% | 0.33 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 2.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | S431 T434 L438 T439 | S431-G436 PolarHBondContact O-N 3.45Å; T434-G436 PolarHBondContact O-N 3.28Å; G436-L438 VanDerWaalsContact C-N 3.26Å; G436-L438 PolarHBondContact O-N 3.21Å; G436-T439 PolarHBondContact O-N 2.75Å |
| 437 | A | 90.9 | Very high | 92.9 | Very high | 45 Ų | 45 | 50 Ų | 50 | 37% | 0.372 | 28% | 0.275 | S | S | . | . | trans | -66.2 | -26.7 | -177 | 0 | 0 | 0 | 0 | 0 | 113.1 | V347 T434 N435 T439 | V347-A437 HydrophobicContact CG1-CB 4.48Å; V347-A437 HydrophobicContact CG2-CB 3.77Å; T434-A437 WeakPolarHBondContact O-CB 3.13Å; T434-A437 PolarHBondContact O-N 2.8Å; N435-A437 PolarHBondContact O-N 3.17Å; A437-T439 VanDerWaalsContact C-N 3.27Å; A437-T439 PolarHBondContact O-N 2.75Å; A437-T439 VanDerWaalsContact O-N 3.09Å | ||
| 438 | L | 91.9 | Very high | 92.5 | Very high | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | trans | -79.7 | 76.5 | 162.5 | -65.9 | -176.1 | 0 | 0 | 0 | 110.1 | E344 V347 Y378 H384 F386 T434 G436 R440 L441 | E344-L438 HydrophobicContact CG-CD2 4.09Å; V347-L438 HydrophobicContact CG2-CD2 3.91Å; V347-L438 HydrophobicContact CG2-CG 4.38Å; Y378-L438 HydrophobicContact CE2-CD1 4.27Å; H384-L438 HydrophobicContact CB-CD1 4.23Å; F386-L438 HydrophobicContact CE2-CD1 4.07Å; F386-L438 HydrophobicContact CZ-CD1 3.88Å; T434-L438 HydrophobicContact CG2-CD1 3.88Å; T434-L438 HydrophobicContact CG2-CG 4.06Å; G436-L438 VanDerWaalsContact C-N 3.26Å; G436-L438 PolarHBondContact O-N 3.21Å; L438-R440 PolarHBondContact O-N 2.91Å; L438-L441 HydrophobicContact CB-CD2 3.81Å; L438-L441 HydrophobicContact CD1-CD2 4.11Å | ||
| 439 | T | 85.9 | Confident | 92.2 | Very high | 124 Ų | 124 | 51.3 Ų | 51.3 | 76% | 0.761 | 29% | 0.291 | S | S | * | . | trans | -60.5 | -13.5 | -178 | 59.4 | 0 | 0 | 0 | 0 | 114.6 | G436 A437 | G436-T439 PolarHBondContact O-N 2.75Å; A437-T439 VanDerWaalsContact C-N 3.27Å; A437-T439 PolarHBondContact O-N 2.75Å; A437-T439 VanDerWaalsContact O-N 3.09Å | ||
| 440 | R | 90.6 | Very high | 92 | Very high | 132 Ų | 132 | 54.9 Ų | 54.9 | 50% | 0.498 | 31% | 0.308 | S | S | . | . | trans | -129.9 | 105.4 | 176.5 | -70 | -173.5 | 62.2 | 172.6 | 0.1 | 111.4 | Y339 L438 D442 | Y339-R440 HydrophobicContact CE2-CB 4.36Å; Y339-R440 VanDerWaalsContact CZ-NH2 3.33Å; Y339-R440 PolarHBondContact OH-NH2 3.09Å; Y339-R440 VanDerWaalsContact OH-NH2 3.12Å; L438-R440 PolarHBondContact O-N 2.91Å; R440-D442 IonicContact CZ-OD2 3.84Å; R440-D442 VanDerWaalsContact CZ-OD2 3.22Å; R440-D442 IonicContact NE-OD2 3.46Å; R440-D442 PolarHBondContact NE-OD2 2.74Å; R440-D442 IonicContact NH2-OD2 2.76Å; R440-D442 PolarHBondContact NH2-OD2 3.43Å; R440-D442 PolarHBondContact O-N 2.81Å | ||
| 441 | L | 94.4 | Very high | 92 | Very high | 21 Ų | 21 | 57 Ų | 57 | 11% | 0.11 | 32% | 0.322 | C | S | . | . | trans | -100.5 | 56.8 | 174.3 | -63.4 | 175 | 0 | 0 | 0 | 110.5 | F336 K427 A430 L438 | F336-L441 VanDerWaalsContact CD1-C 3.49Å; F336-L441 HydrophobicContact CD1-CB 3.85Å; F336-L441 HydrophobicContact CD1-CD2 4.34Å; F336-L441 WeakPolarHBondContact CD1-O 3.38Å; F336-L441 HydrophobicContact CD2-CD2 3.92Å; F336-L441 HydrophobicContact CE1-CB 3.78Å; F336-L441 HydrophobicContact CE1-CD2 4.43Å; F336-L441 HydrophobicContact CE2-CD2 4.03Å; F336-L441 HydrophobicContact CG-CB 4.39Å; F336-L441 HydrophobicContact CG-CD2 4.07Å; F336-L441 HydrophobicContact CZ-CB 4.27Å; F336-L441 HydrophobicContact CZ-CD2 4.27Å; K427-L441 WeakPolarHBondContact CE-O 3.46Å; K427-L441 HydrophobicContact CG-CB 4.26Å; K427-L441 PolarHBondContact NZ-O 3.26Å; K427-L441 WeakPolarHBondContact O-CD1 3.38Å; A430-L441 HydrophobicContact CB-CD1 4.09Å; A430-L441 HydrophobicContact CB-CD2 4.09Å; L438-L441 HydrophobicContact CB-CD2 3.81Å; L438-L441 HydrophobicContact CD1-CD2 4.11Å | ||
| 442 | D | 95.8 | Very high | 92.1 | Very high | 55 Ų | 55 | 55.5 Ų | 55.5 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | P | Polyproline II helix | trans | -79 | 121.3 | 174.8 | -67 | -50.1 | 0 | 0 | 0 | 109.3 | F336 I337 Y339 R440 | F336-D442 CarbonylContact C-O 3.58Å; F336-D442 VanDerWaalsContact CA-O 3.27Å; F336-D442 WeakPolarHBondContact CA-O 3.28Å; F336-D442 WeakPolarHBondContact CB-O 3.5Å; I337-D442 HydrophobicContact CD1-CB 4.3Å; I337-D442 PolarHBondContact N-O 2.87Å; Y339-D442 HydrophobicContact CE2-CB 4.12Å; Y339-D442 WeakPolarHBondContact OH-CB 3.36Å; Y339-D442 PolarHBondContact OH-OD2 3.45Å; R440-D442 IonicContact CZ-OD2 3.84Å; R440-D442 VanDerWaalsContact CZ-OD2 3.22Å; R440-D442 IonicContact NE-OD2 3.46Å; R440-D442 PolarHBondContact NE-OD2 2.74Å; R440-D442 IonicContact NH2-OD2 2.76Å; R440-D442 PolarHBondContact NH2-OD2 3.43Å; R440-D442 PolarHBondContact O-N 2.81Å |
| 443 | F | 96.9 | Very high | 92.2 | Very high | 25 Ų | 25 | 54.3 Ų | 54.3 | 11% | 0.11 | 31% | 0.307 | C | S | . | . | B | Isolated β-bridge | trans | -64.2 | 139.6 | -177.4 | -69.3 | -73.3 | 0 | 0 | 0 | 111.7 | V334 F336 Q423 K427 P451 V453 | V334-F443 HydrophobicContact CG1-CD1 4.07Å; V334-F443 HydrophobicContact CG1-CE1 3.69Å; F336-F443 AromaticContact CD1-CD1 3.76Å; F336-F443 HydrophobicContact CD1-CD1 3.76Å; F336-F443 HydrophobicContact CD1-CE1 4.04Å; F336-F443 HydrophobicContact CD1-CG 4.27Å; F336-F443 AromaticContact CE1-CD1 3.56Å; F336-F443 HydrophobicContact CE1-CD1 3.56Å; F336-F443 AromaticContact CE1-CE1 3.33Å; F336-F443 HydrophobicContact CE1-CE1 3.33Å; F336-F443 HydrophobicContact CE1-CG 4.27Å; F336-F443 AromaticContact CE1-CZ 3.88Å; F336-F443 HydrophobicContact CE1-CZ 3.88Å; F336-F443 HydrophobicContact CZ-CD1 4.42Å; F336-F443 AromaticContact CZ-CE1 3.92Å; F336-F443 HydrophobicContact CZ-CE1 3.92Å; Q423-F443 HydrophobicContact CB-CE2 3.75Å; Q423-F443 HydrophobicContact CB-CZ 3.67Å; Q423-F443 HydrophobicContact CG-CD2 4.43Å; Q423-F443 HydrophobicContact CG-CE1 4.43Å; Q423-F443 HydrophobicContact CG-CE2 3.6Å; Q423-F443 HydrophobicContact CG-CZ 3.62Å; K427-F443 HydrophobicContact CD-CE2 3.94Å; K427-F443 HydrophobicContact CD-CZ 4.07Å; K427-F443 VanDerWaalsContact CE-CE2 3.45Å; K427-F443 HydrophobicContact CG-CE2 4.22Å; K427-F443 HydrophobicContact CG-CZ 3.84Å; F443-P451 HydrophobicContact CB-CB 3.8Å; F443-P451 HydrophobicContact CD1-CB 4.49Å; F443-P451 HydrophobicContact CD2-CB 3.89Å; F443-P451 HydrophobicContact CG-CB 3.83Å; F443-V453 HydrophobicContact CE1-CB 4.25Å; F443-V453 HydrophobicContact CE1-CG1 4.27Å |
| 444 | A | 95.7 | Very high | 92.4 | Very high | 8 Ų | 8 | 57.9 Ų | 57.9 | 7% | 0.066 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 164.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | N335 I337 T383 D452 | N335-A444 HydrophobicContact CB-CB 3.87Å; N335-A444 WeakPolarHBondContact O-CB 3.18Å; N335-A444 PolarHBondContact O-N 3.36Å; I337-A444 HydrophobicContact CG1-CB 4.39Å; T383-A444 HydrophobicContact CG2-CB 3.89Å; A444-D452 HydrophobicContact CB-CB 4.22Å; A444-D452 VanDerWaalsContact O-CB 3.25Å; A444-D452 WeakPolarHBondContact O-CB 3.2Å; A444-D452 PolarHBondContact O-N 3.01Å |
| 445 | L | 94.1 | Very high | 92.5 | Very high | 113 Ų | 113 | 58.4 Ų | 58.4 | 59% | 0.592 | 33% | 0.328 | S | S | * | . | B | Isolated β-bridge | trans | -100.3 | 132.9 | 176.8 | -59.5 | -176.5 | 0 | 0 | 0 | 111.1 | N124 E450 | N124-L445 PolarHBondContact ND2-O 2.82Å; N124-L445 VanDerWaalsContact ND2-O 3.11Å; L445-E450 WeakPolarHBondContact CA-O 3.3Å |
| 446 | N | 92 | Very high | 92.5 | Very high | 32 Ų | 32 | 53.8 Ų | 53.8 | 17% | 0.171 | 30% | 0.301 | C | S | . | . | trans | -81.8 | -177.6 | 174.9 | 74.7 | 24.8 | 0 | 0 | 0 | 111.6 | Y448 G449 E450 D452 | N446-Y448 PolarHBondContact O-N 3.23Å; N446-Y448 WeakPolarHBondContact OD1-CA 3.3Å; N446-Y448 WeakPolarHBondContact OD1-CB 3.39Å; N446-Y448 PolarHBondContact OD1-N 3.32Å; N446-G449 PolarHBondContact O-N 3.41Å; N446-G449 VanDerWaalsContact O-N 3.07Å; N446-E450 PolarHBondContact N-O 3.35Å; N446-E450 PolarHBondContact OD1-N 2.82Å; N446-E450 PolarHBondContact OD1-O 2.74Å; N446-D452 HydrophobicContact CB-CB 4.01Å; N446-D452 WeakPolarHBondContact CB-OD1 3.12Å | ||
| 447 | S | 86.6 | Confident | 92.6 | Very high | 47 Ų | 47 | 53.7 Ų | 53.7 | 33% | 0.329 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -6.2 | -178.5 | 63.7 | 0 | 0 | 0 | 0 | 116.1 | S122 | S122-S447 WeakPolarHBondContact OG-CB 3.34Š|
| 448 | Y | 87.7 | Confident | 92.3 | Very high | 124 Ų | 124 | 52 Ų | 52 | 49% | 0.486 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 2.7 | 179.5 | -52.3 | -57.9 | 0 | 0 | 0 | 112.9 | N446 E450 R864 | N446-Y448 PolarHBondContact O-N 3.23Å; N446-Y448 WeakPolarHBondContact OD1-CA 3.3Å; N446-Y448 WeakPolarHBondContact OD1-CB 3.39Å; N446-Y448 PolarHBondContact OD1-N 3.32Å; Y448-E450 PolarHBondContact O-N 2.97Å; Y448-R864 PolarHBondContact OH-NH2 3.02Å |
| 449 | G | 89.4 | Confident | 91.9 | Very high | 52 Ų | 52 | 52 Ų | 52 | 54% | 0.536 | 28% | 0.277 | S | S | . | . | S | Bend | trans | 75.1 | 8.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114 | N446 | N446-G449 PolarHBondContact O-N 3.41Å; N446-G449 VanDerWaalsContact O-N 3.07Å |
| 450 | E | 92.8 | Very high | 91.7 | Very high | 75 Ų | 75 | 48.2 Ų | 48.2 | 35% | 0.35 | 25% | 0.249 | S | C | . | . | S | Bend | trans | -87.1 | 159 | 173.2 | -58.4 | -179.9 | 127.3 | 0 | 0 | 110.7 | K419 L445 N446 Y448 D452 | K419-E450 IonicContact NZ-OE1 2.79Å; K419-E450 PolarHBondContact NZ-OE1 3.19Å; K419-E450 IonicContact NZ-OE2 2.67Å; K419-E450 PolarHBondContact NZ-OE2 3.13Å; L445-E450 WeakPolarHBondContact CA-O 3.3Å; N446-E450 PolarHBondContact N-O 3.35Å; N446-E450 PolarHBondContact OD1-N 2.82Å; N446-E450 PolarHBondContact OD1-O 2.74Å; Y448-E450 PolarHBondContact O-N 2.97Å; E450-D452 PolarHBondContact O-N 3.21Å |
| 451 | P | 95.8 | Very high | 91.2 | Very high | 45 Ų | 45 | 43 Ų | 43 | 29% | 0.292 | 23% | 0.231 | S | C | . | . | B | Isolated β-bridge | trans | -48.9 | 131.7 | 166.7 | -29.8 | 37.5 | 0 | 0 | 0 | 112.6 | F443 V453 | F443-P451 HydrophobicContact CB-CB 3.8Å; F443-P451 HydrophobicContact CD1-CB 4.49Å; F443-P451 HydrophobicContact CD2-CB 3.89Å; F443-P451 HydrophobicContact CG-CB 3.83Å; P451-V453 VanDerWaalsContact C-N 3.28Å; P451-V453 PolarHBondContact O-N 3.22Å |
| 452 | D | 96.3 | Very high | 90.7 | Very high | 18 Ų | 18 | 44.9 Ų | 44.9 | 10% | 0.096 | 24% | 0.238 | C | C | . | . | S | Bend | trans | -85 | 68.7 | -172.7 | -161.5 | 18 | 0 | 0 | 0 | 112.1 | N124 N335 A444 N446 E450 | N124-D452 WeakPolarHBondContact CB-OD2 3.15Å; N124-D452 PolarHBondContact ND2-OD2 2.81Å; N335-D452 HydrophobicContact CB-CB 4.1Å; N335-D452 WeakPolarHBondContact CB-OD2 3.5Å; N335-D452 PolarHBondContact N-O 3.11Å; N335-D452 PolarHBondContact ND2-OD2 3.28Å; N335-D452 VanDerWaalsContact ND2-OD2 3.07Å; A444-D452 HydrophobicContact CB-CB 4.22Å; A444-D452 VanDerWaalsContact O-CB 3.25Å; A444-D452 WeakPolarHBondContact O-CB 3.2Å; A444-D452 PolarHBondContact O-N 3.01Å; N446-D452 HydrophobicContact CB-CB 4.01Å; N446-D452 WeakPolarHBondContact CB-OD1 3.12Å; E450-D452 PolarHBondContact O-N 3.21Å |
| 453 | V | 96.5 | Very high | 90.3 | Very high | 17 Ų | 17 | 43.4 Ų | 43.4 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 134.2 | 167.8 | 61.1 | 0 | 0 | 0 | 0 | 109.7 | I332 T333 V334 L422 Q423 A426 F443 P451 | I332-V453 HydrophobicContact CG2-CG2 3.94Å; T333-V453 WeakPolarHBondContact O-CA 3.28Å; V334-V453 HydrophobicContact CG1-CB 4.26Å; V334-V453 HydrophobicContact CG1-CG2 4.36Å; V334-V453 HydrophobicContact CG2-CG2 4.1Å; L422-V453 HydrophobicContact CD1-CG2 4.42Å; L422-V453 HydrophobicContact CD2-CG2 4.11Å; L422-V453 HydrophobicContact CG-CG2 3.86Å; Q423-V453 HydrophobicContact CG-CG1 3.58Å; A426-V453 HydrophobicContact CB-CG2 4.1Å; F443-V453 HydrophobicContact CE1-CB 4.25Å; F443-V453 HydrophobicContact CE1-CG1 4.27Å; P451-V453 VanDerWaalsContact C-N 3.28Å; P451-V453 PolarHBondContact O-N 3.22Å |
| 454 | D | 94.8 | Very high | 90.1 | Very high | 86 Ų | 86 | 42.2 Ų | 42.2 | 46% | 0.46 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 160.5 | -177.2 | -156.8 | 3.9 | 0 | 0 | 0 | 111.2 | T333 F456 | T333-D454 PolarHBondContact N-O 3.37Å; T333-D454 PolarHBondContact O-N 3.28Å; T333-D454 VanDerWaalsContact O-N 3.13Å; D454-F456 HydrophobicContact CB-CE2 3.77Å; D454-F456 HydrophobicContact CB-CZ 3.73Å |
| 455 | I | 94.4 | Very high | 89.8 | Confident | 19 Ų | 19 | 43.3 Ų | 43.3 | 10% | 0.097 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 137.9 | -169.8 | -165.5 | 168.1 | 0 | 0 | 0 | 111.7 | I330 A331 I332 L395 V400 L412 V417 L422 | I330-I455 HydrophobicContact CG2-CD1 3.72Å; I330-I455 HydrophobicContact CG2-CG1 3.71Å; A331-I455 CarbonylContact O-C 3.57Å; A331-I455 WeakPolarHBondContact O-CA 3.46Å; I332-I455 HydrophobicContact CG1-CD1 4.13Å; I332-I455 HydrophobicContact CG1-CG1 3.98Å; L395-I455 HydrophobicContact CD1-CD1 4.45Å; V400-I455 HydrophobicContact CG1-CD1 4.5Å; L412-I455 HydrophobicContact CD2-CD1 4Å; L412-I455 HydrophobicContact CD2-CG1 4.26Å; V417-I455 HydrophobicContact CG1-CG2 4.21Å; V417-I455 HydrophobicContact CG2-CG2 4.02Å; L422-I455 HydrophobicContact CD1-CD1 4.39Å; L422-I455 HydrophobicContact CD2-CB 4.35Å |
| 456 | F | 91.7 | Very high | 89.7 | Confident | 55 Ų | 55 | 39 Ų | 39 | 24% | 0.241 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 146.9 | -164.7 | -59.1 | -81.6 | 0 | 0 | 0 | 113.2 | A331 T333 D454 W492 | A331-F456 HydrophobicContact CB-CB 4.49Å; A331-F456 PolarHBondContact N-O 3.38Å; A331-F456 PolarHBondContact O-N 3.16Å; T333-F456 HydrophobicContact CG2-CD2 4.15Å; T333-F456 HydrophobicContact CG2-CE2 4Å; T333-F456 WeakPolarHBondContact OG1-CE2 3.38Å; D454-F456 HydrophobicContact CB-CE2 3.77Å; D454-F456 HydrophobicContact CB-CZ 3.73Å; F456-W492 HydrophobicContact CB-CH2 4.26Å; F456-W492 HydrophobicContact CB-CZ3 4.41Å; F456-W492 AromaticContact CD1-CH2 3.66Å; F456-W492 HydrophobicContact CD1-CH2 3.66Å; F456-W492 HydrophobicContact CD1-CZ3 4.28Å; F456-W492 AromaticContact CD2-CH2 3.99Å; F456-W492 HydrophobicContact CD2-CH2 3.99Å; F456-W492 AromaticContact CD2-CZ3 3.75Å; F456-W492 HydrophobicContact CD2-CZ3 3.75Å; F456-W492 AromaticContact CE1-CH2 3.95Å; F456-W492 HydrophobicContact CE1-CH2 3.95Å; F456-W492 HydrophobicContact CE2-CH2 4.27Å; F456-W492 HydrophobicContact CE2-CZ3 4.06Å; F456-W492 AromaticContact CG-CH2 3.68Å; F456-W492 HydrophobicContact CG-CH2 3.68Å; F456-W492 AromaticContact CG-CZ3 3.87Å; F456-W492 HydrophobicContact CG-CZ3 3.87Å; F456-W492 HydrophobicContact CZ-CH2 4.25Å; F456-W492 HydrophobicContact CZ-CZ3 4.45Å |
| 457 | D | 89.5 | Confident | 89.9 | Confident | 31 Ų | 31 | 37.4 Ų | 37.4 | 17% | 0.166 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 114.7 | 173 | -172.7 | 15.8 | 0 | 0 | 0 | 111.1 | S408 L412 T459 R460 | S408-D457 VanDerWaalsContact CB-OD2 3.23Å; S408-D457 WeakPolarHBondContact CB-OD2 3.42Å; S408-D457 PolarHBondContact OG-OD2 3.09Å; L412-D457 HydrophobicContact CD1-CB 4.01Å; D457-T459 WeakPolarHBondContact OD1-CA 3.23Å; D457-T459 WeakPolarHBondContact OD1-CB 3.29Å; D457-T459 PolarHBondContact OD1-N 2.71Å; D457-T459 PolarHBondContact OD1-OG1 3.18Å; D457-R460 WeakPolarHBondContact OD2-CD 3.32Å; D457-R460 IonicContact OD2-NE 3.93Å |
| 458 | F | 85 | Confident | 90.4 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.035 | 18% | 0.184 | C | C | . | . | trans | -101.3 | 1.6 | 168.3 | -75.6 | -15.8 | 0 | 0 | 0 | 113 | A329 A331 R460 M461 F491 W492 P493 | A329-F458 HydrophobicContact CB-CB 3.83Å; A329-F458 PolarHBondContact O-N 2.91Å; A331-F458 HydrophobicContact CB-CD2 3.45Å; A331-F458 VanDerWaalsContact CB-CD2 3.45Å; A331-F458 HydrophobicContact CB-CE1 4.35Å; A331-F458 HydrophobicContact CB-CE2 3.26Å; A331-F458 HydrophobicContact CB-CG 4.09Å; A331-F458 HydrophobicContact CB-CZ 3.75Å; F458-R460 VanDerWaalsContact C-N 3.26Å; F458-R460 PolarHBondContact O-N 3.18Å; F458-M461 VanDerWaalsContact O-CE 3.31Å; F458-M461 WeakPolarHBondContact O-CE 3.44Å; F458-F491 HydrophobicContact CB-CD2 4.23Å; F458-F491 HydrophobicContact CB-CE2 4.01Å; F458-F491 HydrophobicContact CD1-CD2 4.5Å; F458-F491 AromaticContact CD2-CD2 3.77Å; F458-F491 HydrophobicContact CD2-CD2 3.77Å; F458-F491 AromaticContact CD2-CE2 3.39Å; F458-F491 HydrophobicContact CD2-CE2 3.39Å; F458-F491 HydrophobicContact CD2-CZ 4.45Å; F458-F491 HydrophobicContact CE2-CD2 4.18Å; F458-F491 AromaticContact CE2-CE2 3.98Å; F458-F491 HydrophobicContact CE2-CE2 3.98Å; F458-F491 AromaticContact CG-CD2 3.94Å; F458-F491 HydrophobicContact CG-CD2 3.94Å; F458-F491 AromaticContact CG-CE2 3.88Å; F458-F491 HydrophobicContact CG-CE2 3.88Å; F458-W492 AromaticContact CE1-CD2 3.64Å; F458-W492 HydrophobicContact CE1-CD2 3.64Å; F458-W492 AromaticContact CE1-CE2 3.85Å; F458-W492 AromaticContact CE1-CE3 3.84Å; F458-W492 HydrophobicContact CE1-CE3 3.84Å; F458-W492 AromaticContact CE1-CG 3.99Å; F458-W492 HydrophobicContact CE1-CG 3.99Å; F458-W492 HydrophobicContact CE1-CH2 4.4Å; F458-W492 HydrophobicContact CE1-CZ2 4.24Å; F458-W492 HydrophobicContact CE1-CZ3 4.21Å; F458-W492 HydrophobicContact CZ-CB 3.87Å; F458-W492 AromaticContact CZ-CD2 3.56Å; F458-W492 HydrophobicContact CZ-CD2 3.56Å; F458-W492 AromaticContact CZ-CE3 3.53Å; F458-W492 HydrophobicContact CZ-CE3 3.53Å; F458-W492 AromaticContact CZ-CG 3.74Å; F458-W492 HydrophobicContact CZ-CG 3.74Å; F458-W492 HydrophobicContact CZ-CZ3 4.2Å; F458-P493 HydrophobicContact CE2-CG 3.83Å | ||
| 459 | T | 83.4 | Confident | 90.8 | Very high | 4 Ų | 4 | 30.2 Ų | 30.2 | 3% | 0.025 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -64.8 | -31.4 | 175.8 | -42 | 0 | 0 | 0 | 0 | 111.9 | R325 C326 L328 A329 D457 | R325-T459 CarbonylContact C-O 3.52Å; R325-T459 WeakPolarHBondContact CA-O 3.33Å; R325-T459 HydrophobicContact CG-CG2 4.13Å; C326-T459 PolarHBondContact N-O 2.92Å; C326-T459 WeakPolarHBondContact O-CG2 3.39Å; L328-T459 WeakPolarHBondContact CA-OG1 3.43Å; L328-T459 WeakPolarHBondContact CD1-OG1 3.35Å; A329-T459 PolarHBondContact N-OG1 3.01Å; A329-T459 VanDerWaalsContact N-OG1 3.13Å; A329-T459 PolarHBondContact O-N 2.96Å; D457-T459 WeakPolarHBondContact OD1-CA 3.23Å; D457-T459 WeakPolarHBondContact OD1-CB 3.29Å; D457-T459 PolarHBondContact OD1-N 2.71Å; D457-T459 PolarHBondContact OD1-OG1 3.18Å |
| 460 | R | 81.5 | Confident | 91 | Very high | 45 Ų | 45 | 27.7 Ų | 27.7 | 17% | 0.17 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 103.1 | -170.8 | -58.1 | 172.1 | 175.6 | -112.3 | 21.9 | 111.4 | K313 E323 R325 D407 S408 D457 F458 F462 | K313-R460 PolarHBondContact NZ-O 2.75Å; K313-R460 VanDerWaalsContact NZ-O 3.09Å; E323-R460 VanDerWaalsContact OE1-CD 3.29Å; E323-R460 WeakPolarHBondContact OE1-CD 3.44Å; E323-R460 VanDerWaalsContact OE1-CG 3.23Å; E323-R460 WeakPolarHBondContact OE1-CG 3.48Å; E323-R460 IonicContact OE1-CZ 3.71Å; E323-R460 IonicContact OE1-NE 2.76Å; E323-R460 IonicContact OE1-NH1 3.54Å; E323-R460 PolarHBondContact OE1-NH1 3.23Å; E323-R460 IonicContact OE2-NH1 3.69Å; R325-R460 VanDerWaalsContact NH1-NH2 3.19Å; D407-R460 IonicContact OD1-CZ 2.66Å; D407-R460 IonicContact OD1-NH2 3.59Å; D407-R460 PolarHBondContact OD1-NH2 3.49Å; D407-R460 IonicContact OD2-CZ 2.99Å; D407-R460 IonicContact OD2-NH2 3.17Å; D407-R460 PolarHBondContact OD2-NH2 3.47Å; S408-R460 PolarHBondContact OG-NE 3Å; S408-R460 VanDerWaalsContact OG-NE 3.12Å; D457-R460 WeakPolarHBondContact OD2-CD 3.32Å; D457-R460 IonicContact OD2-NE 3.93Å; F458-R460 VanDerWaalsContact C-N 3.26Å; F458-R460 PolarHBondContact O-N 3.18Å; R460-F462 HydrophobicContact CB-CE2 3.94Å; R460-F462 HydrophobicContact CB-CZ 4.39Å |
| 461 | M | 80.4 | Confident | 91.1 | Very high | 24 Ų | 24 | 25.3 Ų | 25.3 | 12% | 0.118 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136.3 | 177.7 | -56.3 | 179.9 | -163.5 | 0 | 0 | 110.2 | L324 F458 F491 L1228 | L324-M461 PolarHBondContact N-O 3.21Å; L324-M461 PolarHBondContact O-N 2.78Å; F458-M461 VanDerWaalsContact O-CE 3.31Å; F458-M461 WeakPolarHBondContact O-CE 3.44Å; M461-F491 HydrophobicContact CE-CB 4Å; M461-F491 HydrophobicContact CE-CD2 3.52Å; M461-F491 HydrophobicContact CE-CE2 4.18Å; M461-F491 HydrophobicContact CE-CG 3.92Å; M461-F491 HydrophobicContact SD-CB 4.14Å; M461-L1228 HydrophobicContact CE-CD1 3.75Å; M461-L1228 HydrophobicContact SD-CD1 3.65Å |
| 462 | F | 85.2 | Confident | 90.7 | Very high | 60 Ų | 60 | 24 Ų | 24 | 26% | 0.263 | 12% | 0.12 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 138.9 | -177.6 | -64.1 | -96.3 | 0 | 0 | 0 | 112.3 | K313 K322 E323 R460 E489 | K313-F462 VanDerWaalsContact CE-CD2 3.45Å; K322-F462 WeakPolarHBondContact O-CA 3.32Å; E323-F462 HydrophobicContact CB-CD1 4.02Å; E323-F462 HydrophobicContact CB-CE1 3.66Å; E323-F462 HydrophobicContact CB-CZ 4.27Å; E323-F462 VanDerWaalsContact CD-CZ 3.5Å; E323-F462 HydrophobicContact CG-CD1 4.26Å; E323-F462 HydrophobicContact CG-CE1 3.63Å; E323-F462 HydrophobicContact CG-CE2 4.38Å; E323-F462 HydrophobicContact CG-CZ 3.7Å; R460-F462 HydrophobicContact CB-CE2 3.94Å; R460-F462 HydrophobicContact CB-CZ 4.39Å; F462-E489 PolarHBondContact N-OE2 2.92Å; F462-E489 VanDerWaalsContact N-OE2 3.11Å; F462-E489 WeakPolarHBondContact O-CB 3.49Å; F462-E489 PolarHBondContact O-N 3.19Å |
| 463 | A | 87.5 | Confident | 90.2 | Very high | 23 Ų | 23 | 25.1 Ų | 25.1 | 19% | 0.19 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.3 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | C321 K322 Y488 | C321-A463 CarbonylContact C-O 3.59Å; C321-A463 VanDerWaalsContact CA-O 3.3Å; C321-A463 WeakPolarHBondContact CA-O 3.39Å; K322-A463 PolarHBondContact N-O 3.22Å; K322-A463 PolarHBondContact O-N 3.43Å; K322-A463 VanDerWaalsContact O-N 3.07Å; A463-Y488 HydrophobicContact CB-CD2 3.88Å; A463-Y488 HydrophobicContact CB-CE2 4.41Å |
| 464 | A | 91.1 | Very high | 89.4 | Confident | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.008 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 155 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y466 L482 L487 Y532 | A464-Y466 VanDerWaalsContact CB-O 3.31Å; A464-Y466 WeakPolarHBondContact CB-O 3.4Å; A464-L482 HydrophobicContact CB-CD1 3.55Å; A464-L487 HydrophobicContact CB-CD1 4.2Å; A464-L487 PolarHBondContact N-O 3.04Å; A464-Y532 PolarHBondContact O-OH 2.79Å; A464-Y532 VanDerWaalsContact O-OH 3.08Å |
| 465 | E | 90.3 | Very high | 88.4 | Confident | 30 Ų | 30 | 29.7 Ų | 29.7 | 14% | 0.14 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -74.1 | -33.8 | 172.3 | -168.4 | 173.6 | 153.9 | 0 | 0 | 111.7 | P320 K322 | P320-E465 HydrophobicContact CB-CB 4.28Å; P320-E465 HydrophobicContact CG-CB 4.02Å; P320-E465 PolarHBondContact O-N 3.03Å; K322-E465 PolarHBondContact NZ-O 2.86Å |
| 466 | Y | 92.7 | Very high | 87.6 | Confident | 22 Ų | 22 | 29.7 Ų | 29.7 | 9% | 0.086 | 14% | 0.139 | C | C | . | . | trans | -138.9 | 150.6 | -178.4 | -52.3 | -72.6 | 0 | 0 | 0 | 110.1 | P320 A464 E529 H573 L574 V949 | P320-Y466 HydrophobicContact CG-CD2 4.29Å; P320-Y466 HydrophobicContact CG-CE2 4.47Å; A464-Y466 VanDerWaalsContact CB-O 3.31Å; A464-Y466 WeakPolarHBondContact CB-O 3.4Å; Y466-E529 VanDerWaalsContact CA-OE2 3.28Å; Y466-E529 WeakPolarHBondContact CA-OE2 3.38Å; Y466-H573 AromaticContact CE1-NE2 3.53Å; Y466-H573 AromaticContact CE2-NE2 3.76Å; Y466-H573 AromaticContact CZ-NE2 3.27Å; Y466-H573 VanDerWaalsContact CZ-NE2 3.27Å; Y466-H573 PolarHBondContact OH-NE2 3.01Å; Y466-L574 HydrophobicContact CD1-CD1 3.63Å; Y466-L574 HydrophobicContact CD1-CD2 4.2Å; Y466-L574 HydrophobicContact CD1-CG 4.42Å; Y466-L574 HydrophobicContact CD2-CD2 3.81Å; Y466-L574 HydrophobicContact CE1-CD1 4.3Å; Y466-L574 HydrophobicContact CE2-CD2 4.33Å; Y466-L574 HydrophobicContact CG-CD1 3.85Å; Y466-L574 HydrophobicContact CG-CD2 3.75Å; Y466-L574 HydrophobicContact CG-CG 4.41Å; Y466-V949 WeakPolarHBondContact OH-CG1 3.38Å | ||
| 467 | S | 95.3 | Very high | 87.4 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.13 | C | C | . | . | S | Bend | trans | -94.5 | -22.2 | -178.8 | 81.9 | 0 | 0 | 0 | 0 | 114.9 | L482 R528 E529 | S467-L482 PolarHBondContact O-N 3.02Å; S467-R528 WeakPolarHBondContact OG-CG 3.35Å; S467-R528 PolarHBondContact OG-NE 2.92Å; S467-E529 VanDerWaalsContact CA-OE1 3.29Å; S467-E529 WeakPolarHBondContact CA-OE1 3.49Å; S467-E529 VanDerWaalsContact CB-OE1 3.3Å; S467-E529 WeakPolarHBondContact CB-OE1 3.47Å; S467-E529 VanDerWaalsContact N-CD 3.28Å; S467-E529 PolarHBondContact N-OE1 3.41Å; S467-E529 PolarHBondContact N-OE2 3.5Å; S467-E529 PolarHBondContact OG-OE1 2.83Å |
| 468 | C | 96.7 | Very high | 87.6 | Confident | 1 Ų | 1 | 26 Ų | 26 | 1% | 0.007 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.1 | 166.5 | 174 | 70 | 0 | 0 | 0 | 0 | 114.4 | L479 Q480 C481 R528 E529 | C468-L479 HydrophobicContact CB-CD1 4.13Å; C468-Q480 CarbonylContact C-O 3.44Å; C468-Q480 WeakPolarHBondContact CA-O 3.39Å; C468-Q480 WeakPolarHBondContact CB-O 3.4Å; C468-C481 HydrophobicContact CB-CB 4.45Å; C468-C481 VanDerWaalsContact CB-SG 3.57Å; C468-R528 HydrophobicContact CB-CG 4.3Å; C468-E529 PolarHBondContact N-OE1 2.87Å |
| 469 | N | 96 | Very high | 88.1 | Confident | 18 Ų | 18 | 25.7 Ų | 25.7 | 10% | 0.096 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 165.7 | 162.8 | 75.8 | 44.6 | 0 | 0 | 0 | 109.4 | F319 L471 Q480 L574 | F319-N469 HydrophobicContact CE1-CB 4.48Å; F319-N469 WeakPolarHBondContact CE2-ND2 3.37Å; F319-N469 HydrophobicContact CZ-CB 4.14Å; F319-N469 WeakPolarHBondContact CZ-ND2 3.47Å; N469-L471 WeakPolarHBondContact OD1-CD2 3.49Å; N469-Q480 PolarHBondContact N-O 3.48Å; N469-Q480 PolarHBondContact ND2-OE1 3.33Å; N469-Q480 PolarHBondContact O-N 2.94Å; N469-Q480 WeakPolarHBondContact OD1-CB 3.41Å; N469-Q480 WeakPolarHBondContact OD1-CG 3.41Å; N469-Q480 PolarHBondContact OD1-OE1 2.86Å; N469-L574 WeakPolarHBondContact CA-O 3.45Å; N469-L574 HydrophobicContact CB-CB 4.47Å; N469-L574 WeakPolarHBondContact CB-O 3.3Å |
| 470 | I | 95 | Very high | 88.8 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.6 | 167.9 | -62.2 | 172.5 | 0 | 0 | 0 | 109 | L477 L478 L479 L515 P521 I525 L574 Y575 I576 | I470-L477 HydrophobicContact CG2-CD2 3.54Å; I470-L478 CarbonylContact C-O 3.5Å; I470-L478 VanDerWaalsContact CA-O 3.32Å; I470-L478 WeakPolarHBondContact CA-O 3.36Å; I470-L479 HydrophobicContact CD1-CD1 4.16Å; I470-L479 HydrophobicContact CG1-CB 4.31Å; I470-L479 HydrophobicContact CG1-CD1 3.66Å; I470-L515 HydrophobicContact CD1-CD1 4.47Å; I470-L515 HydrophobicContact CD1-CD2 3.79Å; I470-P521 HydrophobicContact CD1-CB 3.66Å; I470-P521 HydrophobicContact CG2-CB 4.3Å; I470-I525 HydrophobicContact CB-CD1 4.06Å; I470-I525 HydrophobicContact CD1-CD1 3.95Å; I470-I525 HydrophobicContact CD1-CG1 3.79Å; I470-I525 HydrophobicContact CG1-CD1 3.91Å; I470-I525 HydrophobicContact CG1-CG1 3.96Å; I470-L574 PolarHBondContact N-O 2.65Å; I470-Y575 HydrophobicContact CB-CD2 4.16Å; I470-Y575 HydrophobicContact CG2-CD2 4.09Å; I470-Y575 HydrophobicContact CG2-CE2 4.21Å; I470-Y575 CarbonylContact O-C 3.4Å; I470-Y575 WeakPolarHBondContact O-CA 3.39Å; I470-I576 PolarHBondContact O-N 3.48Å |
| 471 | L | 93.6 | Very high | 89.5 | Confident | 24 Ų | 24 | 24.1 Ų | 24.1 | 13% | 0.126 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 144.5 | 173.4 | -45.8 | -175.1 | 0 | 0 | 0 | 110 | L186 W288 N469 L477 L478 I576 | L186-L471 HydrophobicContact CD2-CD1 3.75Å; W288-L471 HydrophobicContact CH2-CB 3.82Å; W288-L471 HydrophobicContact CH2-CD1 3.88Å; W288-L471 HydrophobicContact CZ2-CB 3.68Å; W288-L471 HydrophobicContact CZ2-CD1 4.49Å; W288-L471 HydrophobicContact CZ3-CD1 4.13Å; N469-L471 WeakPolarHBondContact OD1-CD2 3.49Å; L471-L477 CarbonylContact O-C 3.14Å; L471-L477 WeakPolarHBondContact O-CA 3.43Å; L471-L478 HydrophobicContact CB-CB 4.41Å; L471-L478 HydrophobicContact CD1-CD2 4.33Å; L471-L478 PolarHBondContact N-O 3.27Å; L471-L478 PolarHBondContact O-N 2.92Å; L471-I576 CarbonylContact C-O 3.56Å; L471-I576 WeakPolarHBondContact CA-O 3.42Å; L471-I576 HydrophobicContact CD2-CB 3.87Å; L471-I576 HydrophobicContact CD2-CD1 3.83Å; L471-I576 HydrophobicContact CD2-CG1 4.25Å; L471-I576 HydrophobicContact CD2-CG2 4.45Å |
| 472 | E | 88.6 | Confident | 90.3 | Very high | 19 Ų | 19 | 23 Ų | 23 | 9% | 0.089 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 122 | 174.6 | -171.3 | 177.4 | 143.8 | 0 | 0 | 110.7 | C476 L477 Y575 I576 K577 D578 | E472-C476 WeakPolarHBondContact CA-O 3.31Å; E472-L477 HydrophobicContact CB-CD2 3.68Å; E472-L477 HydrophobicContact CB-CG 4.31Å; E472-L477 HydrophobicContact CG-CD2 3.85Å; E472-L477 HydrophobicContact CG-CG 4.01Å; E472-Y575 HydrophobicContact CB-CE2 4.27Å; E472-Y575 VanDerWaalsContact OE2-CE2 3.3Å; E472-Y575 WeakPolarHBondContact OE2-CE2 3.31Å; E472-Y575 VanDerWaalsContact OE2-CZ 3.24Å; E472-Y575 PolarHBondContact OE2-OH 3Å; E472-I576 PolarHBondContact N-O 2.89Å; E472-K577 HydrophobicContact CB-CG 4.11Å; E472-K577 IonicContact OE1-NZ 2.7Å; E472-K577 PolarHBondContact OE1-NZ 2.92Å; E472-K577 IonicContact OE2-NZ 3.61Å; E472-K577 PolarHBondContact OE2-NZ 2.91Å; E472-D578 PolarHBondContact O-N 3.28Å |
| 473 | K | 85.7 | Confident | 90.9 | Very high | 41 Ų | 41 | 20.2 Ų | 20.2 | 18% | 0.178 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 132.9 | 179.6 | 177.7 | 162 | -169.3 | 132.6 | 0 | 110.4 | E188 P189 W288 R475 C476 D578 | E188-K473 HydrophobicContact CB-CD 4Å; E188-K473 HydrophobicContact CG-CD 3.97Å; E188-K473 WeakPolarHBondContact OE2-CD 3.43Å; E188-K473 WeakPolarHBondContact OE2-CE 3.4Å; E188-K473 IonicContact OE2-NZ 3.77Å; E188-K473 PolarHBondContact OE2-NZ 3.29Å; P189-K473 HydrophobicContact CG-CB 4.27Å; P189-K473 HydrophobicContact CG-CG 4.49Å; W288-K473 HydrophobicContact CH2-CB 4.1Å; W288-K473 HydrophobicContact CZ2-CB 3.76Å; K473-R475 PolarHBondContact O-N 3.27Å; K473-C476 PolarHBondContact N-O 3.02Å; K473-C476 VanDerWaalsContact N-O 3.12Å; K473-C476 WeakPolarHBondContact O-CB 3.25Å; K473-C476 PolarHBondContact O-N 2.55Å; K473-D578 WeakPolarHBondContact CD-OD2 3.44Å; K473-D578 WeakPolarHBondContact CE-OD2 3.42Å; K473-D578 VanDerWaalsContact CG-OD2 3.27Å; K473-D578 WeakPolarHBondContact CG-OD2 3.48Å; K473-D578 IonicContact NZ-OD1 3.18Å; K473-D578 IonicContact NZ-OD2 3.99Å; K473-D578 PolarHBondContact NZ-OD2 3.24Å |
| 474 | N | 79.7 | Confident | 91.2 | Very high | 61 Ų | 61 | 19.4 Ų | 19.4 | 33% | 0.326 | 9% | 0.091 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.9 | 41.8 | -175.9 | -70.2 | -63.8 | 0 | 0 | 0 | 111.7 | P189 S191 C476 D581 | P189-N474 HydrophobicContact CB-CB 4.32Å; P189-N474 PolarHBondContact O-ND2 3.29Å; S191-N474 WeakPolarHBondContact CB-OD1 3.39Å; S191-N474 PolarHBondContact N-ND2 2.64Å; N474-C476 PolarHBondContact O-N 3.05Å; N474-D581 PolarHBondContact N-OD2 3Å |
| 475 | R | 73.2 | Confident | 91.2 | Very high | 137 Ų | 137 | 22.2 Ų | 22.2 | 52% | 0.517 | 11% | 0.105 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 7.7 | -172.6 | -52.8 | 179.4 | -175.4 | 172.8 | -0.3 | 116.4 | K473 | K473-R475 PolarHBondContact O-N 3.27Š|
| 476 | C | 76.9 | Confident | 91.2 | Very high | 19 Ų | 19 | 21.2 Ų | 21.2 | 13% | 0.128 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 123 | 173.5 | -65.4 | 0 | 0 | 0 | 0 | 109.7 | P189 W288 E472 K473 N474 | P189-C476 HydrophobicContact CB-CB 4.07Å; P189-C476 HydrophobicContact CG-CB 3.73Å; W288-C476 PolarHBondContact NE1-O 2.93Å; E472-C476 WeakPolarHBondContact CA-O 3.31Å; K473-C476 PolarHBondContact N-O 3.02Å; K473-C476 VanDerWaalsContact N-O 3.12Å; K473-C476 WeakPolarHBondContact O-CB 3.25Å; K473-C476 PolarHBondContact O-N 2.55Å; N474-C476 PolarHBondContact O-N 3.05Å |
| 477 | L | 87.3 | Confident | 91.2 | Very high | 10 Ų | 10 | 20.2 Ų | 20.2 | 5% | 0.052 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 145.6 | 179 | -78.3 | 152 | 0 | 0 | 0 | 111.7 | I470 L471 E472 P521 Y575 | I470-L477 HydrophobicContact CG2-CD2 3.54Å; L471-L477 CarbonylContact O-C 3.14Å; L471-L477 WeakPolarHBondContact O-CA 3.43Å; E472-L477 HydrophobicContact CB-CD2 3.68Å; E472-L477 HydrophobicContact CB-CG 4.31Å; E472-L477 HydrophobicContact CG-CD2 3.85Å; E472-L477 HydrophobicContact CG-CG 4.01Å; L477-P521 HydrophobicContact CD2-CG 4.41Å; L477-Y575 HydrophobicContact CD2-CE2 3.94Å |
| 478 | L | 94.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 117.1 | 172.6 | 177.5 | 66.6 | 0 | 0 | 0 | 110.2 | L186 W288 F304 D305 L307 I470 L471 Q480 | L186-L478 HydrophobicContact CD1-CD2 3.67Å; L186-L478 HydrophobicContact CD2-CD2 3.74Å; L186-L478 HydrophobicContact CG-CD2 4.34Å; W288-L478 HydrophobicContact CB-CD1 4.47Å; W288-L478 HydrophobicContact CB-CD2 4.4Å; W288-L478 HydrophobicContact CD2-CB 3.9Å; W288-L478 HydrophobicContact CD2-CD2 3.95Å; W288-L478 HydrophobicContact CE3-CD2 4.01Å; W288-L478 HydrophobicContact CG-CB 3.82Å; W288-L478 HydrophobicContact CG-CD2 4.15Å; W288-L478 HydrophobicContact CG-CG 4.41Å; W288-L478 HydrophobicContact CZ2-CB 4.46Å; F304-L478 HydrophobicContact CD2-CD1 3.67Å; F304-L478 HydrophobicContact CE2-CD1 3.87Å; F304-L478 HydrophobicContact CE2-CD2 4.41Å; D305-L478 WeakPolarHBondContact O-CA 3.15Å; L307-L478 HydrophobicContact CB-CD1 4.07Å; I470-L478 CarbonylContact C-O 3.5Å; I470-L478 VanDerWaalsContact CA-O 3.32Å; I470-L478 WeakPolarHBondContact CA-O 3.36Å; L471-L478 HydrophobicContact CB-CB 4.41Å; L471-L478 HydrophobicContact CD1-CD2 4.33Å; L471-L478 PolarHBondContact N-O 3.27Å; L471-L478 PolarHBondContact O-N 2.92Å; L478-Q480 HydrophobicContact CD2-CG 4.01Å; L478-Q480 HydrophobicContact CG-CG 4.12Å |
| 479 | L | 96.3 | Very high | 90 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 118.7 | 167.7 | 172.2 | 62.4 | 0 | 0 | 0 | 109.7 | D305 V306 L307 C468 I470 V512 L515 W603 | D305-L479 PolarHBondContact O-N 2.93Å; D305-L479 VanDerWaalsContact O-N 3.09Å; V306-L479 CarbonylContact C-O 3.5Å; V306-L479 WeakPolarHBondContact CA-O 3.22Å; V306-L479 HydrophobicContact CG2-CB 4.45Å; L307-L479 PolarHBondContact N-O 2.82Å; C468-L479 HydrophobicContact CB-CD1 4.13Å; I470-L479 HydrophobicContact CD1-CD1 4.16Å; I470-L479 HydrophobicContact CG1-CB 4.31Å; I470-L479 HydrophobicContact CG1-CD1 3.66Å; L479-V512 HydrophobicContact CD2-CG2 3.76Å; L479-L515 HydrophobicContact CB-CD2 3.96Å; L479-L515 HydrophobicContact CD2-CD2 3.92Å; L479-L515 HydrophobicContact CG-CD2 4.39Å; L479-W603 HydrophobicContact CB-CZ2 4.45Å |
| 480 | Q | 97.4 | Very high | 89.1 | Confident | 16 Ų | 16 | 23.6 Ų | 23.6 | 8% | 0.075 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 128.3 | 170.7 | -56.2 | -170.2 | -24.8 | 0 | 0 | 110 | L307 L317 F319 C468 N469 L478 | L307-Q480 WeakPolarHBondContact O-CA 3.45Å; L317-Q480 HydrophobicContact CD1-CB 4.27Å; F319-Q480 HydrophobicContact CE2-CB 4.25Å; F319-Q480 HydrophobicContact CZ-CB 4.14Å; C468-Q480 CarbonylContact C-O 3.44Å; C468-Q480 WeakPolarHBondContact CA-O 3.39Å; C468-Q480 WeakPolarHBondContact CB-O 3.4Å; N469-Q480 PolarHBondContact N-O 3.48Å; N469-Q480 PolarHBondContact ND2-OE1 3.33Å; N469-Q480 PolarHBondContact O-N 2.94Å; N469-Q480 WeakPolarHBondContact OD1-CB 3.41Å; N469-Q480 WeakPolarHBondContact OD1-CG 3.41Å; N469-Q480 PolarHBondContact OD1-OE1 2.86Å; L478-Q480 HydrophobicContact CD2-CG 4.01Å; L478-Q480 HydrophobicContact CG-CG 4.12Å |
| 481 | C | 96.9 | Very high | 88.1 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 141.9 | 179.1 | -68.6 | 0 | 0 | 0 | 0 | 112.4 | L307 I308 A309 C468 A508 | L307-C481 PolarHBondContact O-N 2.88Å; I308-C481 HydrophobicContact CD1-CB 3.79Å; A309-C481 PolarHBondContact N-O 2.84Å; C468-C481 HydrophobicContact CB-CB 4.45Å; C468-C481 VanDerWaalsContact CB-SG 3.57Å; C481-A508 HydrophobicContact CB-CB 4.45Å |
| 482 | L | 96.5 | Very high | 87.1 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 141 | 168.1 | -53.9 | -179 | 0 | 0 | 0 | 111 | A309 L317 F319 A464 S467 L487 | A309-L482 HydrophobicContact CB-CD2 4.02Å; L317-L482 HydrophobicContact CB-CD2 4.41Å; L317-L482 HydrophobicContact CD1-CD2 4.29Å; F319-L482 HydrophobicContact CB-CD1 3.79Å; F319-L482 HydrophobicContact CD1-CD1 3.81Å; F319-L482 HydrophobicContact CD1-CG 4.11Å; F319-L482 HydrophobicContact CD2-CD1 4.43Å; F319-L482 HydrophobicContact CD2-CD2 4.12Å; F319-L482 HydrophobicContact CD2-CG 4.36Å; F319-L482 HydrophobicContact CE1-CD1 4.49Å; F319-L482 HydrophobicContact CE1-CG 4.33Å; F319-L482 HydrophobicContact CE2-CD2 4.38Å; F319-L482 HydrophobicContact CG-CD1 3.78Å; F319-L482 HydrophobicContact CG-CD2 4.29Å; F319-L482 HydrophobicContact CG-CG 4.13Å; A464-L482 HydrophobicContact CB-CD1 3.55Å; S467-L482 PolarHBondContact O-N 3.02Å; L482-L487 HydrophobicContact CB-CB 3.97Å; L482-L487 HydrophobicContact CB-CD1 4.08Å |
| 483 | I | 96.6 | Very high | 86.2 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 13% | 0.134 | C | C | . | . | trans | -141.6 | 157.9 | 172.2 | 61.6 | 170.9 | 0 | 0 | 0 | 112.3 | C97 C101 I308 A309 A310 S504 A505 A508 | C97-I483 HydrophobicContact CB-CD1 4.41Å; C97-I483 WeakPolarHBondContact O-CD1 3.47Å; C101-I483 HydrophobicContact CB-CD1 3.57Å; I308-I483 HydrophobicContact CG2-CD1 3.57Å; I308-I483 HydrophobicContact CG2-CG1 3.82Å; A309-I483 PolarHBondContact O-N 3.24Å; A310-I483 HydrophobicContact CB-CD1 3.98Å; A310-I483 HydrophobicContact CB-CG1 3.76Å; I483-S504 WeakPolarHBondContact CB-OG 3.47Å; I483-S504 VanDerWaalsContact CG2-O 3.3Å; I483-S504 WeakPolarHBondContact CG2-O 3.43Å; I483-A505 HydrophobicContact CD1-CB 4.13Å; I483-A508 HydrophobicContact CG2-CB 3.66Å | ||
| 484 | G | 94.5 | Very high | 85.5 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 6% | 0.062 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | 65.4 | -149.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | G486 L487 Y488 S504 | G484-G486 PolarHBondContact O-N 2.78Å; G484-L487 WeakPolarHBondContact O-CB 3.22Å; G484-L487 PolarHBondContact O-N 2.89Å; G484-Y488 PolarHBondContact O-N 3.34Å; G484-Y488 VanDerWaalsContact O-N 3.09Å; G484-S504 PolarHBondContact N-OG 3.29Å |
| 485 | D | 91.6 | Very high | 85.3 | Confident | 60 Ų | 60 | 25.9 Ų | 25.9 | 32% | 0.321 | 13% | 0.126 | S | C | . | . | G | 310 helix | trans | -56.5 | -18.9 | -174.3 | -38.4 | -9.7 | 0 | 0 | 0 | 114.5 | ||
| 486 | G | 89.4 | Confident | 85.9 | Confident | 9 Ų | 9 | 19.9 Ų | 19.9 | 9% | 0.093 | 11% | 0.105 | C | C | . | . | G | 310 helix | trans | -83.2 | -18.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | G312 G484 | G312-G486 VanDerWaalsContact O-CA 3.32Å; G312-G486 WeakPolarHBondContact O-CA 3.09Å; G312-G486 PolarHBondContact O-N 3.43Å; G484-G486 PolarHBondContact O-N 2.78Å |
| 487 | L | 92.4 | Very high | 86.4 | Confident | 1 Ų | 1 | 19.7 Ų | 19.7 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | -42.4 | 173.2 | 175.4 | 68.4 | 0 | 0 | 0 | 111.6 | A464 L482 G484 Y532 L535 | A464-L487 HydrophobicContact CB-CD1 4.2Å; A464-L487 PolarHBondContact N-O 3.04Å; L482-L487 HydrophobicContact CB-CB 3.97Å; L482-L487 HydrophobicContact CB-CD1 4.08Å; G484-L487 WeakPolarHBondContact O-CB 3.22Å; G484-L487 PolarHBondContact O-N 2.89Å; L487-Y532 HydrophobicContact CD1-CD2 4.05Å; L487-Y532 HydrophobicContact CD1-CE1 4.24Å; L487-Y532 HydrophobicContact CD1-CE2 3.53Å; L487-Y532 HydrophobicContact CD2-CD2 4.06Å; L487-Y532 HydrophobicContact CD2-CE2 3.92Å; L487-Y532 HydrophobicContact CG-CD2 4.21Å; L487-Y532 HydrophobicContact CG-CE2 3.6Å; L487-Y532 PolarHBondContact O-OH 3.44Å; L487-L535 HydrophobicContact CD2-CD2 3.78Å |
| 488 | Y | 85.3 | Confident | 86.6 | Confident | 60 Ų | 60 | 19.6 Ų | 19.6 | 24% | 0.235 | 11% | 0.106 | C | C | . | . | B | Isolated β-bridge | trans | -154.2 | 112.3 | -175.9 | -171.4 | -90.8 | 0 | 0 | 0 | 109.4 | A463 G484 P490 L500 | A463-Y488 HydrophobicContact CB-CD2 3.88Å; A463-Y488 HydrophobicContact CB-CE2 4.41Å; G484-Y488 PolarHBondContact O-N 3.34Å; G484-Y488 VanDerWaalsContact O-N 3.09Å; Y488-P490 WeakPolarHBondContact O-CD 3.29Å; Y488-L500 HydrophobicContact CD1-CD1 4.04Å; Y488-L500 HydrophobicContact CE1-CD1 3.86Å |
| 489 | E | 81.8 | Confident | 86.6 | Confident | 21 Ų | 21 | 19.6 Ų | 19.6 | 10% | 0.098 | 11% | 0.106 | C | C | . | . | trans | -75.5 | 126.7 | -179.7 | -175.6 | 173 | -164.2 | 0 | 0 | 111.7 | K313 F462 | K313-E489 WeakPolarHBondContact CD-OE1 3.11Å; K313-E489 VanDerWaalsContact CE-CD 3.46Å; K313-E489 WeakPolarHBondContact CE-OE1 3.43Å; K313-E489 WeakPolarHBondContact CE-OE2 3.43Å; K313-E489 IonicContact NZ-OE1 2.98Å; K313-E489 PolarHBondContact NZ-OE1 3.48Å; K313-E489 IonicContact NZ-OE2 2.82Å; K313-E489 PolarHBondContact NZ-OE2 2.8Å; F462-E489 PolarHBondContact N-OE2 2.92Å; F462-E489 VanDerWaalsContact N-OE2 3.11Å; F462-E489 WeakPolarHBondContact O-CB 3.49Å; F462-E489 PolarHBondContact O-N 3.19Å | ||
| 490 | P | 77.3 | Confident | 86.5 | Confident | 10 Ų | 10 | 20.1 Ų | 20.1 | 7% | 0.065 | 11% | 0.109 | C | C | . | . | trans | -87.8 | 138.1 | -179.7 | 33.3 | -33.7 | 0 | 0 | 0 | 112.9 | Y488 W492 G497 | Y488-P490 WeakPolarHBondContact O-CD 3.29Å; P490-W492 PolarHBondContact O-N 2.76Å; P490-W492 PolarHBondContact O-NE1 3.28Å; P490-G497 VanDerWaalsContact CG-CA 3.49Å | ||
| 491 | F | 74.3 | Confident | 86.4 | Confident | 23 Ų | 23 | 19.5 Ų | 19.5 | 10% | 0.101 | 11% | 0.107 | C | C | . | . | trans | -77.5 | 102.9 | 165.6 | -179.8 | -123 | 0 | 0 | 0 | 109.8 | F458 M461 P493 T494 L1228 | F458-F491 HydrophobicContact CB-CD2 4.23Å; F458-F491 HydrophobicContact CB-CE2 4.01Å; F458-F491 HydrophobicContact CD1-CD2 4.5Å; F458-F491 AromaticContact CD2-CD2 3.77Å; F458-F491 HydrophobicContact CD2-CD2 3.77Å; F458-F491 AromaticContact CD2-CE2 3.39Å; F458-F491 HydrophobicContact CD2-CE2 3.39Å; F458-F491 HydrophobicContact CD2-CZ 4.45Å; F458-F491 HydrophobicContact CE2-CD2 4.18Å; F458-F491 AromaticContact CE2-CE2 3.98Å; F458-F491 HydrophobicContact CE2-CE2 3.98Å; F458-F491 AromaticContact CG-CD2 3.94Å; F458-F491 HydrophobicContact CG-CD2 3.94Å; F458-F491 AromaticContact CG-CE2 3.88Å; F458-F491 HydrophobicContact CG-CE2 3.88Å; M461-F491 HydrophobicContact CE-CB 4Å; M461-F491 HydrophobicContact CE-CD2 3.52Å; M461-F491 HydrophobicContact CE-CE2 4.18Å; M461-F491 HydrophobicContact CE-CG 3.92Å; M461-F491 HydrophobicContact SD-CB 4.14Å; F491-P493 VanDerWaalsContact C-N 3.35Å; F491-P493 HydrophobicContact CD1-CB 4.48Å; F491-P493 HydrophobicContact CE1-CB 4.04Å; F491-P493 HydrophobicContact CE1-CG 4.09Å; F491-P493 HydrophobicContact CE2-CG 4.13Å; F491-P493 HydrophobicContact CZ-CB 4.28Å; F491-P493 HydrophobicContact CZ-CG 3.88Å; F491-P493 VanDerWaalsContact O-N 3.15Å; F491-T494 HydrophobicContact CD1-CG2 3.84Å; F491-T494 PolarHBondContact O-N 2.99Å; F491-T494 PolarHBondContact O-OG1 2.81Å; F491-L1228 HydrophobicContact CB-CD1 3.59Å; F491-L1228 HydrophobicContact CD1-CD1 3.8Å; F491-L1228 HydrophobicContact CG-CD1 3.79Å | ||
| 492 | W | 73.6 | Confident | 86.3 | Confident | 89 Ų | 89 | 19.6 Ų | 19.6 | 34% | 0.337 | 11% | 0.108 | S | C | . | . | G | 310 helix | trans | -54.4 | -35.7 | -165.9 | -47.7 | -19.7 | 0 | 0 | 0 | 115.5 | T333 F456 F458 P490 T494 G495 | T333-W492 HydrophobicContact CG2-CE3 4.12Å; T333-W492 HydrophobicContact CG2-CZ3 3.85Å; F456-W492 HydrophobicContact CB-CH2 4.26Å; F456-W492 HydrophobicContact CB-CZ3 4.41Å; F456-W492 AromaticContact CD1-CH2 3.66Å; F456-W492 HydrophobicContact CD1-CH2 3.66Å; F456-W492 HydrophobicContact CD1-CZ3 4.28Å; F456-W492 AromaticContact CD2-CH2 3.99Å; F456-W492 HydrophobicContact CD2-CH2 3.99Å; F456-W492 AromaticContact CD2-CZ3 3.75Å; F456-W492 HydrophobicContact CD2-CZ3 3.75Å; F456-W492 AromaticContact CE1-CH2 3.95Å; F456-W492 HydrophobicContact CE1-CH2 3.95Å; F456-W492 HydrophobicContact CE2-CH2 4.27Å; F456-W492 HydrophobicContact CE2-CZ3 4.06Å; F456-W492 AromaticContact CG-CH2 3.68Å; F456-W492 HydrophobicContact CG-CH2 3.68Å; F456-W492 AromaticContact CG-CZ3 3.87Å; F456-W492 HydrophobicContact CG-CZ3 3.87Å; F456-W492 HydrophobicContact CZ-CH2 4.25Å; F456-W492 HydrophobicContact CZ-CZ3 4.45Å; F458-W492 AromaticContact CE1-CD2 3.64Å; F458-W492 HydrophobicContact CE1-CD2 3.64Å; F458-W492 AromaticContact CE1-CE2 3.85Å; F458-W492 AromaticContact CE1-CE3 3.84Å; F458-W492 HydrophobicContact CE1-CE3 3.84Å; F458-W492 AromaticContact CE1-CG 3.99Å; F458-W492 HydrophobicContact CE1-CG 3.99Å; F458-W492 HydrophobicContact CE1-CH2 4.4Å; F458-W492 HydrophobicContact CE1-CZ2 4.24Å; F458-W492 HydrophobicContact CE1-CZ3 4.21Å; F458-W492 HydrophobicContact CZ-CB 3.87Å; F458-W492 AromaticContact CZ-CD2 3.56Å; F458-W492 HydrophobicContact CZ-CD2 3.56Å; F458-W492 AromaticContact CZ-CE3 3.53Å; F458-W492 HydrophobicContact CZ-CE3 3.53Å; F458-W492 AromaticContact CZ-CG 3.74Å; F458-W492 HydrophobicContact CZ-CG 3.74Å; F458-W492 HydrophobicContact CZ-CZ3 4.2Å; P490-W492 PolarHBondContact O-N 2.76Å; P490-W492 PolarHBondContact O-NE1 3.28Å; W492-T494 PolarHBondContact O-N 2.72Å; W492-G495 PolarHBondContact O-N 2.88Å |
| 493 | P | 68.8 | Low | 86.3 | Confident | 32 Ų | 32 | 19.6 Ų | 19.6 | 21% | 0.208 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -60.4 | -11.4 | 176 | -26.5 | 36.9 | 0 | 0 | 0 | 115.5 | F458 F491 | F458-P493 HydrophobicContact CE2-CG 3.83Å; F491-P493 VanDerWaalsContact C-N 3.35Å; F491-P493 HydrophobicContact CD1-CB 4.48Å; F491-P493 HydrophobicContact CE1-CB 4.04Å; F491-P493 HydrophobicContact CE1-CG 4.09Å; F491-P493 HydrophobicContact CE2-CG 4.13Å; F491-P493 HydrophobicContact CZ-CB 4.28Å; F491-P493 HydrophobicContact CZ-CG 3.88Å; F491-P493 VanDerWaalsContact O-N 3.15Å |
| 494 | T | 70.4 | Confident | 86.3 | Confident | 37 Ų | 37 | 19.6 Ų | 19.6 | 23% | 0.227 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -91.6 | -4.7 | 173 | 60.4 | 0 | 0 | 0 | 0 | 114.2 | F491 W492 S496 | F491-T494 HydrophobicContact CD1-CG2 3.84Å; F491-T494 PolarHBondContact O-N 2.99Å; F491-T494 PolarHBondContact O-OG1 2.81Å; W492-T494 PolarHBondContact O-N 2.72Å; T494-S496 PolarHBondContact O-N 2.8Å; T494-S496 PolarHBondContact OG1-OG 3.33Å |
| 495 | G | 76.9 | Confident | 86.4 | Confident | 11 Ų | 11 | 19.3 Ų | 19.3 | 11% | 0.113 | 11% | 0.105 | C | C | . | . | trans | 63 | 6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | W492 G497 | W492-G495 PolarHBondContact O-N 2.88Å; G495-G497 PolarHBondContact O-N 2.9Å | ||
| 496 | S | 84.4 | Confident | 86.7 | Confident | 12 Ų | 12 | 16.8 Ų | 16.8 | 8% | 0.084 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -72.6 | -22 | -169.1 | 54.2 | 0 | 0 | 0 | 0 | 115.1 | T494 C498 A499 L500 | T494-S496 PolarHBondContact O-N 2.8Å; T494-S496 PolarHBondContact OG1-OG 3.33Å; S496-C498 PolarHBondContact O-N 2.89Å; S496-A499 WeakPolarHBondContact O-CB 3.18Å; S496-A499 PolarHBondContact O-N 2.93Å; S496-A499 VanDerWaalsContact O-N 3.12Å; S496-L500 PolarHBondContact O-N 2.87Å |
| 497 | G | 87.6 | Confident | 87.1 | Confident | 15 Ų | 15 | 16.3 Ų | 16.3 | 16% | 0.155 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.2 | -47.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | P490 G495 A499 G501 | P490-G497 VanDerWaalsContact CG-CA 3.49Å; G495-G497 PolarHBondContact O-N 2.9Å; G497-A499 PolarHBondContact O-N 2.97Å; G497-G501 WeakPolarHBondContact O-CA 3.44Å; G497-G501 PolarHBondContact O-N 2.71Å |
| 498 | C | 92.6 | Very high | 87.4 | Confident | 7 Ų | 7 | 16.3 Ų | 16.3 | 5% | 0.047 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.7 | -32.9 | 177.4 | -163.7 | 0 | 0 | 0 | 0 | 111.5 | L127 L129 L133 S496 F502 | L127-C498 HydrophobicContact CD1-CB 4.19Å; L129-C498 HydrophobicContact CD2-CB 4.44Å; L133-C498 HydrophobicContact CD1-CB 3.87Å; S496-C498 PolarHBondContact O-N 2.89Å; C498-F502 WeakPolarHBondContact O-CB 3.37Å; C498-F502 VanDerWaalsContact O-CD1 3.22Å; C498-F502 WeakPolarHBondContact O-CD1 3.19Å; C498-F502 PolarHBondContact O-N 2.88Å |
| 499 | A | 93.6 | Very high | 88 | Confident | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -72.2 | -62.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | W130 Y132 L133 S496 G497 G501 F502 M503 | W130-A499 HydrophobicContact CB-CB 4.34Å; W130-A499 HydrophobicContact CD2-CB 3.45Å; W130-A499 VanDerWaalsContact CD2-CB 3.45Å; W130-A499 HydrophobicContact CE3-CB 3.3Å; W130-A499 HydrophobicContact CG-CB 3.93Å; W130-A499 HydrophobicContact CH2-CB 4.24Å; W130-A499 HydrophobicContact CZ2-CB 4.41Å; W130-A499 HydrophobicContact CZ3-CB 3.73Å; Y132-A499 HydrophobicContact CE1-CB 3.95Å; Y132-A499 VanDerWaalsContact OH-C 3.27Å; Y132-A499 WeakPolarHBondContact OH-CA 3.46Å; Y132-A499 PolarHBondContact OH-O 3.03Å; L133-A499 HydrophobicContact CD1-CB 4.07Å; S496-A499 WeakPolarHBondContact O-CB 3.18Å; S496-A499 PolarHBondContact O-N 2.93Å; S496-A499 VanDerWaalsContact O-N 3.12Å; G497-A499 PolarHBondContact O-N 2.97Å; A499-G501 PolarHBondContact O-N 3.25Å; A499-F502 PolarHBondContact O-N 3.12Å; A499-M503 HydrophobicContact CB-CE 4.26Å; A499-M503 WeakPolarHBondContact O-CG 3.48Å; A499-M503 PolarHBondContact O-N 3.15Å |
| 500 | L | 94.2 | Very high | 88.7 | Confident | 12 Ų | 12 | 13.7 Ų | 13.7 | 6% | 0.063 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -59.4 | -34 | 178.5 | -57.4 | -178.6 | 0 | 0 | 0 | 111.1 | W130 Y488 S496 M503 S504 L535 T538 | W130-L500 HydrophobicContact CH2-CD2 4.25Å; W130-L500 HydrophobicContact CZ3-CD2 4.34Å; Y488-L500 HydrophobicContact CD1-CD1 4.04Å; Y488-L500 HydrophobicContact CE1-CD1 3.86Å; S496-L500 PolarHBondContact O-N 2.87Å; L500-M503 HydrophobicContact CD2-CE 4.46Å; L500-M503 HydrophobicContact CD2-SD 4.11Å; L500-M503 PolarHBondContact O-N 3.4Å; L500-S504 WeakPolarHBondContact O-CB 3.36Å; L500-S504 PolarHBondContact O-N 2.86Å; L500-S504 PolarHBondContact O-OG 2.78Å; L500-L535 HydrophobicContact CB-CD1 4.02Å; L500-L535 HydrophobicContact CD2-CD1 3.9Å; L500-T538 HydrophobicContact CD2-CG2 4.38Å |
| 501 | G | 94.9 | Very high | 89.6 | Confident | 3 Ų | 3 | 13.2 Ų | 13.2 | 3% | 0.031 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.5 | -48.5 | 171 | 0 | 0 | 0 | 0 | 0 | 113.8 | C97 G497 A499 S504 A505 | C97-G501 VanDerWaalsContact SG-CA 3.56Å; G497-G501 WeakPolarHBondContact O-CA 3.44Å; G497-G501 PolarHBondContact O-N 2.71Å; A499-G501 PolarHBondContact O-N 3.25Å; G501-S504 PolarHBondContact O-N 3.26Å; G501-S504 PolarHBondContact O-OG 3.13Å; G501-A505 PolarHBondContact O-N 2.9Å |
| 502 | F | 96.6 | Very high | 90.6 | Very high | 1 Ų | 1 | 12.1 Ų | 12.1 | 0% | 0.004 | 7% | 0.067 | C | C | . | . | H | α-helix | trans | -66.8 | -39.2 | 175.8 | -86.5 | 39.7 | 0 | 0 | 0 | 112.3 | P96 R100 L133 L137 L162 L166 C498 A499 S504 A505 L506 | P96-F502 HydrophobicContact CB-CE1 4.02Å; R100-F502 HydrophobicContact CB-CD1 4.27Å; R100-F502 HydrophobicContact CB-CD2 4.45Å; R100-F502 HydrophobicContact CB-CE1 4.17Å; R100-F502 HydrophobicContact CB-CE2 4.37Å; R100-F502 HydrophobicContact CB-CG 4.42Å; R100-F502 HydrophobicContact CB-CZ 4.24Å; R100-F502 HydrophobicContact CG-CD1 4.21Å; R100-F502 HydrophobicContact CG-CD2 3.62Å; R100-F502 HydrophobicContact CG-CE1 4.35Å; R100-F502 HydrophobicContact CG-CE2 3.8Å; R100-F502 HydrophobicContact CG-CG 3.86Å; R100-F502 HydrophobicContact CG-CZ 4.17Å; L133-F502 HydrophobicContact CD2-CB 3.72Å; L133-F502 HydrophobicContact CD2-CD1 4.32Å; L133-F502 HydrophobicContact CD2-CD2 3.29Å; L133-F502 HydrophobicContact CD2-CE2 3.89Å; L133-F502 HydrophobicContact CD2-CG 3.53Å; L137-F502 HydrophobicContact CD2-CE2 4.14Å; L137-F502 HydrophobicContact CD2-CZ 4.33Å; L137-F502 HydrophobicContact CG-CE2 4.39Å; L162-F502 HydrophobicContact CD1-CZ 4.5Å; L166-F502 HydrophobicContact CD1-CE1 4.42Å; L166-F502 HydrophobicContact CD1-CZ 4Å; L166-F502 HydrophobicContact CD2-CZ 4.45Å; C498-F502 WeakPolarHBondContact O-CB 3.37Å; C498-F502 VanDerWaalsContact O-CD1 3.22Å; C498-F502 WeakPolarHBondContact O-CD1 3.19Å; C498-F502 PolarHBondContact O-N 2.88Å; A499-F502 PolarHBondContact O-N 3.12Å; F502-S504 PolarHBondContact O-N 3.38Å; F502-A505 WeakPolarHBondContact O-CB 3.46Å; F502-A505 PolarHBondContact O-N 2.98Å; F502-L506 WeakPolarHBondContact O-CG 3.47Å; F502-L506 PolarHBondContact O-N 3.35Å |
| 503 | M | 95.4 | Very high | 91.6 | Very high | 1 Ų | 1 | 8.5 Ų | 8.5 | 1% | 0.005 | 6% | 0.056 | C | C | . | . | H | α-helix | trans | -61.1 | -45.7 | 176.2 | -63.5 | 177.2 | -157.6 | 0 | 0 | 111.2 | W130 Y132 A499 L500 A505 L506 D507 L535 T538 M543 Y558 | W130-M503 HydrophobicContact CE3-CE 4.03Å; W130-M503 HydrophobicContact CZ3-CE 3.84Å; Y132-M503 HydrophobicContact CD1-CE 4.5Å; Y132-M503 HydrophobicContact CE1-CE 3.56Å; Y132-M503 WeakPolarHBondContact OH-CE 3.41Å; A499-M503 HydrophobicContact CB-CE 4.26Å; A499-M503 WeakPolarHBondContact O-CG 3.48Å; A499-M503 PolarHBondContact O-N 3.15Å; L500-M503 HydrophobicContact CD2-CE 4.46Å; L500-M503 HydrophobicContact CD2-SD 4.11Å; L500-M503 PolarHBondContact O-N 3.4Å; M503-A505 PolarHBondContact O-N 3.23Å; M503-L506 PolarHBondContact O-N 3.47Å; M503-L506 VanDerWaalsContact O-N 3.09Å; M503-D507 PolarHBondContact O-N 2.75Å; M503-L535 HydrophobicContact CB-CD1 3.74Å; M503-L535 HydrophobicContact SD-CD1 4.28Å; M503-T538 HydrophobicContact CE-CG2 3.88Å; M503-T538 HydrophobicContact SD-CG2 3.74Å; M503-M543 HydrophobicContact CE-CE 4.15Å; M503-M543 HydrophobicContact CE-SD 3.36Å; M503-M543 WeakPolarHBondContact CE-SD 2.99Å; M503-Y558 HydrophobicContact SD-CE1 3.96Å |
| 504 | S | 96.8 | Very high | 92.6 | Very high | 1 Ų | 1 | 8 Ų | 8 | 1% | 0.007 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -60.1 | -33 | 176.1 | 72.4 | 0 | 0 | 0 | 0 | 113.2 | I483 G484 L500 G501 F502 A508 | I483-S504 WeakPolarHBondContact CB-OG 3.47Å; I483-S504 VanDerWaalsContact CG2-O 3.3Å; I483-S504 WeakPolarHBondContact CG2-O 3.43Å; G484-S504 PolarHBondContact N-OG 3.29Å; L500-S504 WeakPolarHBondContact O-CB 3.36Å; L500-S504 PolarHBondContact O-N 2.86Å; L500-S504 PolarHBondContact O-OG 2.78Å; G501-S504 PolarHBondContact O-N 3.26Å; G501-S504 PolarHBondContact O-OG 3.13Å; F502-S504 PolarHBondContact O-N 3.38Å; S504-A508 WeakPolarHBondContact O-CB 3.41Å; S504-A508 PolarHBondContact O-N 3.07Å |
| 505 | A | 97.7 | Very high | 93.4 | Very high | 0 Ų | 0 | 6.3 Ų | 6.3 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -68.7 | -41.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R100 C101 I483 G501 F502 M503 A509 | R100-A505 HydrophobicContact CB-CB 4.47Å; C101-A505 HydrophobicContact CB-CB 3.78Å; I483-A505 HydrophobicContact CD1-CB 4.13Å; G501-A505 PolarHBondContact O-N 2.9Å; F502-A505 WeakPolarHBondContact O-CB 3.46Å; F502-A505 PolarHBondContact O-N 2.98Å; M503-A505 PolarHBondContact O-N 3.23Å; A505-A509 PolarHBondContact O-N 2.85Å; A505-A509 VanDerWaalsContact O-N 3.09Å |
| 506 | L | 97.3 | Very high | 93.6 | Very high | 7 Ų | 7 | 7 Ų | 7 | 4% | 0.037 | 5% | 0.045 | C | C | . | . | H | α-helix | trans | -65.1 | -42.1 | 174 | -63 | -179.6 | 0 | 0 | 0 | 111.4 | E104 F502 M503 A509 W510 L552 | E104-L506 HydrophobicContact CG-CD2 3.67Å; F502-L506 WeakPolarHBondContact O-CG 3.47Å; F502-L506 PolarHBondContact O-N 3.35Å; M503-L506 PolarHBondContact O-N 3.47Å; M503-L506 VanDerWaalsContact O-N 3.09Å; L506-A509 PolarHBondContact O-N 3.07Å; L506-W510 WeakPolarHBondContact O-CB 3.21Å; L506-W510 PolarHBondContact O-N 3.48Å; L506-L552 HydrophobicContact CD2-CD2 4.46Å |
| 507 | D | 97.5 | Very high | 93.4 | Very high | 0 Ų | 0 | 8.9 Ų | 8.9 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -65.6 | -38.5 | 178.6 | -57.6 | -21.3 | 0 | 0 | 0 | 112.4 | M503 W510 S511 R528 V531 R557 Y558 | M503-D507 PolarHBondContact O-N 2.75Å; D507-W510 PolarHBondContact O-N 3.32Å; D507-S511 WeakPolarHBondContact O-CB 3.22Å; D507-S511 PolarHBondContact O-N 2.92Å; D507-S511 PolarHBondContact O-OG 2.91Å; D507-R528 IonicContact OD2-NH1 3.19Å; D507-R528 PolarHBondContact OD2-NH1 3.4Å; D507-V531 HydrophobicContact CB-CG1 4.18Å; D507-V531 WeakPolarHBondContact OD2-CG1 3.4Å; D507-R557 IonicContact OD1-CZ 2.67Å; D507-R557 VanDerWaalsContact OD1-CZ 3.22Å; D507-R557 IonicContact OD1-NH1 3.71Å; D507-R557 PolarHBondContact OD1-NH1 3.11Å; D507-R557 IonicContact OD1-NH2 3.99Å; D507-R557 PolarHBondContact OD1-NH2 2.76Å; D507-Y558 WeakPolarHBondContact OD1-CE2 3.37Å; D507-Y558 PolarHBondContact OD1-OH 2.88Å; D507-Y558 PolarHBondContact OD2-OH 3.09Å |
| 508 | A | 97.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -65.7 | -44.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | C481 I483 S504 W510 S511 V512 | C481-A508 HydrophobicContact CB-CB 4.45Å; I483-A508 HydrophobicContact CG2-CB 3.66Å; S504-A508 WeakPolarHBondContact O-CB 3.41Å; S504-A508 PolarHBondContact O-N 3.07Å; A508-W510 PolarHBondContact O-N 3.44Å; A508-S511 PolarHBondContact O-N 2.77Å; A508-V512 WeakPolarHBondContact O-CG2 3.49Å; A508-V512 PolarHBondContact O-N 3Å |
| 509 | A | 97.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 9.7 Ų | 9.7 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -64.1 | -38.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E104 L105 L108 A505 L506 V512 S513 L552 | E104-A509 HydrophobicContact CB-CB 3.56Å; E104-A509 HydrophobicContact CG-CB 4.27Å; L105-A509 HydrophobicContact CD2-CB 4.04Å; L105-A509 HydrophobicContact CG-CB 4.22Å; L108-A509 HydrophobicContact CD1-CB 4.39Å; A505-A509 PolarHBondContact O-N 2.85Å; A505-A509 VanDerWaalsContact O-N 3.09Å; L506-A509 PolarHBondContact O-N 3.07Å; A509-V512 PolarHBondContact O-N 3.04Å; A509-S513 PolarHBondContact O-N 2.95Å; A509-L552 HydrophobicContact CB-CD2 3.71Å |
| 510 | W | 97.4 | Very high | 91.6 | Very high | 26 Ų | 26 | 12.5 Ų | 12.5 | 10% | 0.098 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -60.1 | -45.7 | 171 | 180 | 75.5 | 0 | 0 | 0 | 111.6 | L506 D507 A508 V512 S513 L514 Q527 V531 L552 P554 V563 | L506-W510 WeakPolarHBondContact O-CB 3.21Å; L506-W510 PolarHBondContact O-N 3.48Å; D507-W510 PolarHBondContact O-N 3.32Å; A508-W510 PolarHBondContact O-N 3.44Å; W510-V512 PolarHBondContact O-N 2.9Å; W510-S513 WeakPolarHBondContact O-CA 3.24Å; W510-S513 WeakPolarHBondContact O-CB 3.42Å; W510-S513 PolarHBondContact O-N 3.37Å; W510-S513 PolarHBondContact O-OG 3.17Å; W510-L514 HydrophobicContact CD2-CD1 4.1Å; W510-L514 HydrophobicContact CD2-CG 4.24Å; W510-L514 HydrophobicContact CE3-CD1 3.92Å; W510-L514 HydrophobicContact CE3-CG 4.49Å; W510-L514 HydrophobicContact CH2-CD1 3.7Å; W510-L514 HydrophobicContact CZ2-CD1 3.85Å; W510-L514 HydrophobicContact CZ2-CD2 4.19Å; W510-L514 HydrophobicContact CZ2-CG 4.38Å; W510-L514 HydrophobicContact CZ3-CD1 3.72Å; W510-L514 WeakPolarHBondContact O-CG 3.14Å; W510-L514 PolarHBondContact O-N 3.26Å; W510-Q527 HydrophobicContact CH2-CB 4.09Å; W510-Q527 HydrophobicContact CZ3-CB 4.17Å; W510-V531 HydrophobicContact CH2-CG2 4.44Å; W510-V531 HydrophobicContact CZ3-CG2 4Å; W510-L552 HydrophobicContact CB-CB 4.45Å; W510-P554 VanDerWaalsContact CD2-CD 3.46Å; W510-P554 HydrophobicContact CD2-CG 3.71Å; W510-P554 HydrophobicContact CE3-CG 3.68Å; W510-P554 HydrophobicContact CG-CG 4.27Å; W510-P554 HydrophobicContact CH2-CG 4.1Å; W510-P554 HydrophobicContact CZ2-CG 4.14Å; W510-P554 HydrophobicContact CZ3-CG 3.89Å; W510-V563 HydrophobicContact CH2-CB 4.2Å; W510-V563 HydrophobicContact CH2-CG1 3.9Å; W510-V563 HydrophobicContact CZ2-CG1 4.41Å |
| 511 | S | 96.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 11.9 Ų | 11.9 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.4 | -39.5 | 178.8 | -54.2 | 0 | 0 | 0 | 0 | 112.7 | D507 A508 S513 L514 L515 V524 R528 | D507-S511 WeakPolarHBondContact O-CB 3.22Å; D507-S511 PolarHBondContact O-N 2.92Å; D507-S511 PolarHBondContact O-OG 2.91Å; A508-S511 PolarHBondContact O-N 2.77Å; S511-S513 VanDerWaalsContact C-N 3.33Å; S511-L514 PolarHBondContact O-N 3.12Å; S511-L515 PolarHBondContact O-N 3.12Å; S511-L515 VanDerWaalsContact O-N 3.11Å; S511-V524 WeakPolarHBondContact O-CG1 3.48Å; S511-R528 WeakPolarHBondContact OG-CB 3.46Å; S511-R528 WeakPolarHBondContact OG-CD 3.5Å |
| 512 | V | 95.4 | Very high | 91 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -61.4 | -42.3 | 170.6 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | V87 L105 V306 L479 A508 A509 W510 L514 L515 A516 | V87-V512 HydrophobicContact CG1-CG1 4.4Å; L105-V512 HydrophobicContact CD2-CB 3.78Å; L105-V512 HydrophobicContact CD2-CG1 3.79Å; L105-V512 HydrophobicContact CD2-CG2 3.94Å; V306-V512 HydrophobicContact CG1-CG2 3.8Å; V306-V512 HydrophobicContact CG2-CG1 4.06Å; V306-V512 HydrophobicContact CG2-CG2 4.01Å; L479-V512 HydrophobicContact CD2-CG2 3.76Å; A508-V512 WeakPolarHBondContact O-CG2 3.49Å; A508-V512 PolarHBondContact O-N 3Å; A509-V512 PolarHBondContact O-N 3.04Å; W510-V512 PolarHBondContact O-N 2.9Å; V512-L514 PolarHBondContact O-N 2.95Å; V512-L515 PolarHBondContact O-N 3.47Å; V512-A516 WeakPolarHBondContact O-CB 3.42Å; V512-A516 PolarHBondContact O-N 2.9Å |
| 513 | S | 93.2 | Very high | 90.8 | Very high | 13 Ų | 13 | 17.5 Ų | 17.5 | 9% | 0.091 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64.9 | -36.4 | 178.7 | 81 | 0 | 0 | 0 | 0 | 113.2 | A509 W510 S511 S517 | A509-S513 PolarHBondContact O-N 2.95Å; W510-S513 WeakPolarHBondContact O-CA 3.24Å; W510-S513 WeakPolarHBondContact O-CB 3.42Å; W510-S513 PolarHBondContact O-N 3.37Å; W510-S513 PolarHBondContact O-OG 3.17Å; S511-S513 VanDerWaalsContact C-N 3.33Å; S513-S517 PolarHBondContact O-N 2.99Å |
| 514 | L | 90.6 | Very high | 90.6 | Very high | 22 Ų | 22 | 17.4 Ų | 17.4 | 12% | 0.115 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -64 | -45.7 | 173.1 | -62.1 | -175.7 | 0 | 0 | 0 | 111.2 | W510 S511 V512 S517 M519 V524 Q527 | W510-L514 HydrophobicContact CD2-CD1 4.1Å; W510-L514 HydrophobicContact CD2-CG 4.24Å; W510-L514 HydrophobicContact CE3-CD1 3.92Å; W510-L514 HydrophobicContact CE3-CG 4.49Å; W510-L514 HydrophobicContact CH2-CD1 3.7Å; W510-L514 HydrophobicContact CZ2-CD1 3.85Å; W510-L514 HydrophobicContact CZ2-CD2 4.19Å; W510-L514 HydrophobicContact CZ2-CG 4.38Å; W510-L514 HydrophobicContact CZ3-CD1 3.72Å; W510-L514 WeakPolarHBondContact O-CG 3.14Å; W510-L514 PolarHBondContact O-N 3.26Å; S511-L514 PolarHBondContact O-N 3.12Å; V512-L514 PolarHBondContact O-N 2.95Å; L514-S517 PolarHBondContact O-N 3.16Å; L514-S517 PolarHBondContact O-OG 3.41Å; L514-M519 HydrophobicContact CB-CB 4.39Å; L514-M519 HydrophobicContact CB-CE 4.21Å; L514-M519 HydrophobicContact CB-SD 4.24Å; L514-M519 HydrophobicContact CD1-CE 4.19Å; L514-M519 HydrophobicContact CD1-SD 4.12Å; L514-M519 HydrophobicContact CD2-CE 3.87Å; L514-M519 HydrophobicContact CG-CE 4.31Å; L514-M519 WeakPolarHBondContact O-CB 3.42Å; L514-M519 PolarHBondContact O-N 2.89Å; L514-M519 VanDerWaalsContact O-N 3.17Å; L514-V524 HydrophobicContact CB-CG1 4.49Å; L514-V524 HydrophobicContact CB-CG2 4Å; L514-Q527 HydrophobicContact CD1-CB 4.48Å |
| 515 | L | 87.4 | Confident | 90.6 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 1% | 0.005 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -67.2 | -42.1 | -178.6 | -166.6 | 49.7 | 0 | 0 | 0 | 111.5 | I470 L479 S511 V512 S517 G518 M519 P521 V524 W603 | I470-L515 HydrophobicContact CD1-CD1 4.47Å; I470-L515 HydrophobicContact CD1-CD2 3.79Å; L479-L515 HydrophobicContact CB-CD2 3.96Å; L479-L515 HydrophobicContact CD2-CD2 3.92Å; L479-L515 HydrophobicContact CG-CD2 4.39Å; S511-L515 PolarHBondContact O-N 3.12Å; S511-L515 VanDerWaalsContact O-N 3.11Å; V512-L515 PolarHBondContact O-N 3.47Å; L515-S517 VanDerWaalsContact C-N 3.29Å; L515-S517 PolarHBondContact O-N 2.8Å; L515-G518 PolarHBondContact O-N 3.43Å; L515-M519 WeakPolarHBondContact CD1-O 3.28Å; L515-P521 HydrophobicContact CD1-CG 4.28Å; L515-V524 HydrophobicContact CB-CG1 4.24Å; L515-V524 HydrophobicContact CB-CG2 4.03Å; L515-V524 HydrophobicContact CD1-CG2 4.02Å; L515-W603 HydrophobicContact CD1-CZ2 4.49Å; L515-W603 HydrophobicContact CD2-CH2 3.78Å; L515-W603 HydrophobicContact CD2-CZ2 3.19Å; L515-W603 HydrophobicContact CG-CD2 4.08Å; L515-W603 HydrophobicContact CG-CE3 4.48Å; L515-W603 HydrophobicContact CG-CH2 4.02Å; L515-W603 HydrophobicContact CG-CZ2 3.55Å; L515-W603 HydrophobicContact CG-CZ3 4.44Å |
| 516 | A | 81.6 | Confident | 90.5 | Very high | 25 Ų | 25 | 17.5 Ų | 17.5 | 21% | 0.207 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.3 | -30.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L83 V87 V512 G518 | L83-A516 WeakPolarHBondContact O-CB 3.29Å; V87-A516 HydrophobicContact CG2-CB 4.22Å; V512-A516 WeakPolarHBondContact O-CB 3.42Å; V512-A516 PolarHBondContact O-N 2.9Å; A516-G518 PolarHBondContact O-N 3.32Å |
| 517 | S | 78.7 | Confident | 90.4 | Very high | 52 Ų | 52 | 17.9 Ų | 17.9 | 36% | 0.364 | 10% | 0.095 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -8.3 | 171.9 | 79.7 | 0 | 0 | 0 | 0 | 114.1 | S513 L514 L515 Q600 | S513-S517 PolarHBondContact O-N 2.99Å; L514-S517 PolarHBondContact O-N 3.16Å; L514-S517 PolarHBondContact O-OG 3.41Å; L515-S517 VanDerWaalsContact C-N 3.29Å; L515-S517 PolarHBondContact O-N 2.8Å; S517-Q600 PolarHBondContact O-NE2 3.04Å |
| 518 | G | 73.2 | Confident | 90.4 | Very high | 2 Ų | 2 | 17.9 Ų | 17.9 | 2% | 0.021 | 10% | 0.095 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 93.7 | 17.7 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | L515 A516 | L515-G518 PolarHBondContact O-N 3.43Å; A516-G518 PolarHBondContact O-N 3.32Å |
| 519 | M | 81.5 | Confident | 90.3 | Very high | 37 Ų | 37 | 17.9 Ų | 17.9 | 18% | 0.182 | 10% | 0.095 | C | C | . | . | trans | -70.1 | 139.8 | 174.4 | -170.6 | 179.3 | -62.1 | 0 | 0 | 111.1 | L514 L515 K523 V524 Q527 | L514-M519 HydrophobicContact CB-CB 4.39Å; L514-M519 HydrophobicContact CB-CE 4.21Å; L514-M519 HydrophobicContact CB-SD 4.24Å; L514-M519 HydrophobicContact CD1-CE 4.19Å; L514-M519 HydrophobicContact CD1-SD 4.12Å; L514-M519 HydrophobicContact CD2-CE 3.87Å; L514-M519 HydrophobicContact CG-CE 4.31Å; L514-M519 WeakPolarHBondContact O-CB 3.42Å; L514-M519 PolarHBondContact O-N 2.89Å; L514-M519 VanDerWaalsContact O-N 3.17Å; L515-M519 WeakPolarHBondContact CD1-O 3.28Å; M519-K523 HydrophobicContact CG-CB 4.09Å; M519-K523 HydrophobicContact CG-CD 4.02Å; M519-K523 HydrophobicContact CG-CG 4.18Å; M519-K523 HydrophobicContact SD-CB 4.14Å; M519-K523 HydrophobicContact SD-CD 3.75Å; M519-K523 HydrophobicContact SD-CG 3.7Å; M519-V524 HydrophobicContact CB-CG2 3.76Å; M519-V524 HydrophobicContact CG-CG2 3.89Å; M519-V524 HydrophobicContact SD-CG2 4.04Å; M519-Q527 PolarHBondContact SD-OE1 3.48Å | ||
| 520 | H | 81.8 | Confident | 90.2 | Very high | 59 Ų | 59 | 17.9 Ų | 17.9 | 27% | 0.273 | 10% | 0.095 | S | C | . | . | trans | -56.6 | 132.6 | -178.3 | -170.5 | -75.4 | 0 | 0 | 0 | 113.1 | L522 K523 V524 I599 | H520-L522 PolarHBondContact ND1-N 3.29Å; H520-L522 VanDerWaalsContact ND1-N 3.19Å; H520-L522 PolarHBondContact O-N 3.05Å; H520-K523 HydrophobicContact CB-CB 4.41Å; H520-K523 WeakPolarHBondContact O-CA 3.49Å; H520-K523 WeakPolarHBondContact O-CB 3.42Å; H520-K523 PolarHBondContact O-N 3.3Å; H520-V524 PolarHBondContact O-N 3.15Å; H520-I599 HydrophobicContact CB-CD1 3.86Å | ||
| 521 | P | 87.5 | Confident | 90.1 | Very high | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -43.4 | -54.3 | -179.8 | -35.5 | 38.2 | 0 | 0 | 0 | 114.7 | I470 L477 L515 K523 V524 I525 Y575 | I470-P521 HydrophobicContact CD1-CB 3.66Å; I470-P521 HydrophobicContact CG2-CB 4.3Å; L477-P521 HydrophobicContact CD2-CG 4.41Å; L515-P521 HydrophobicContact CD1-CG 4.28Å; P521-K523 VanDerWaalsContact C-N 3.25Å; P521-K523 PolarHBondContact O-N 3.36Å; P521-V524 PolarHBondContact O-N 3.17Å; P521-V524 VanDerWaalsContact O-N 3.13Å; P521-I525 WeakPolarHBondContact O-CG1 3.28Å; P521-I525 PolarHBondContact O-N 3.41Å; P521-Y575 HydrophobicContact CB-CD1 4.39Å; P521-Y575 HydrophobicContact CB-CD2 3.97Å; P521-Y575 HydrophobicContact CB-CE1 4.11Å; P521-Y575 HydrophobicContact CB-CE2 3.73Å; P521-Y575 HydrophobicContact CB-CG 4.3Å; P521-Y575 HydrophobicContact CG-CE2 4.07Å |
| 522 | L | 90.2 | Very high | 90 | Very high | 31 Ų | 31 | 17.3 Ų | 17.3 | 16% | 0.162 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -55.9 | -34.5 | 175.7 | -67.9 | 172.6 | 0 | 0 | 0 | 114.5 | H520 A526 P568 Q572 Y575 | H520-L522 PolarHBondContact ND1-N 3.29Å; H520-L522 VanDerWaalsContact ND1-N 3.19Å; H520-L522 PolarHBondContact O-N 3.05Å; L522-A526 WeakPolarHBondContact O-CB 3.26Å; L522-A526 PolarHBondContact O-N 3.04Å; L522-P568 HydrophobicContact CB-CB 4.02Å; L522-Q572 HydrophobicContact CD2-CB 4.43Å; L522-Y575 HydrophobicContact CD1-CD1 4.17Å; L522-Y575 VanDerWaalsContact CD2-CB 3.47Å; L522-Y575 HydrophobicContact CD2-CD1 3.73Å; L522-Y575 HydrophobicContact CD2-CG 4.06Å; L522-Y575 HydrophobicContact CG-CD1 3.56Å; L522-Y575 HydrophobicContact CG-CE1 4.28Å; L522-Y575 HydrophobicContact CG-CG 4.28Å |
| 523 | K | 90.4 | Very high | 89.9 | Confident | 90 Ų | 90 | 19.1 Ų | 19.1 | 39% | 0.391 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -75.2 | -41.4 | 178 | -171.7 | 176.9 | 175.5 | 177.6 | 0 | 110.5 | M519 H520 P521 I525 A526 Q527 | M519-K523 HydrophobicContact CG-CB 4.09Å; M519-K523 HydrophobicContact CG-CD 4.02Å; M519-K523 HydrophobicContact CG-CG 4.18Å; M519-K523 HydrophobicContact SD-CB 4.14Å; M519-K523 HydrophobicContact SD-CD 3.75Å; M519-K523 HydrophobicContact SD-CG 3.7Å; H520-K523 HydrophobicContact CB-CB 4.41Å; H520-K523 WeakPolarHBondContact O-CA 3.49Å; H520-K523 WeakPolarHBondContact O-CB 3.42Å; H520-K523 PolarHBondContact O-N 3.3Å; P521-K523 VanDerWaalsContact C-N 3.25Å; P521-K523 PolarHBondContact O-N 3.36Å; K523-I525 VanDerWaalsContact C-N 3.34Å; K523-I525 PolarHBondContact O-N 3.22Å; K523-A526 PolarHBondContact O-N 3.22Å; K523-Q527 HydrophobicContact CG-CG 4.23Å; K523-Q527 VanDerWaalsContact O-CG 3.31Å; K523-Q527 WeakPolarHBondContact O-CG 3.18Å; K523-Q527 PolarHBondContact O-N 3.47Å |
| 524 | V | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -58.9 | -46.1 | 174.3 | 178.3 | 0 | 0 | 0 | 0 | 111 | S511 L514 L515 M519 H520 P521 Q527 R528 | S511-V524 WeakPolarHBondContact O-CG1 3.48Å; L514-V524 HydrophobicContact CB-CG1 4.49Å; L514-V524 HydrophobicContact CB-CG2 4Å; L515-V524 HydrophobicContact CB-CG1 4.24Å; L515-V524 HydrophobicContact CB-CG2 4.03Å; L515-V524 HydrophobicContact CD1-CG2 4.02Å; M519-V524 HydrophobicContact CB-CG2 3.76Å; M519-V524 HydrophobicContact CG-CG2 3.89Å; M519-V524 HydrophobicContact SD-CG2 4.04Å; H520-V524 PolarHBondContact O-N 3.15Å; P521-V524 PolarHBondContact O-N 3.17Å; P521-V524 VanDerWaalsContact O-N 3.13Å; V524-Q527 PolarHBondContact O-N 3.4Å; V524-R528 VanDerWaalsContact O-CB 3.28Å; V524-R528 WeakPolarHBondContact O-CB 3.35Å; V524-R528 PolarHBondContact O-N 2.65Å |
| 525 | I | 96.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -60.6 | -49.4 | 174.6 | -60.5 | 162.9 | 0 | 0 | 0 | 110.2 | I470 P521 K523 Q527 R528 E529 V571 L574 | I470-I525 HydrophobicContact CB-CD1 4.06Å; I470-I525 HydrophobicContact CD1-CD1 3.95Å; I470-I525 HydrophobicContact CD1-CG1 3.79Å; I470-I525 HydrophobicContact CG1-CD1 3.91Å; I470-I525 HydrophobicContact CG1-CG1 3.96Å; P521-I525 WeakPolarHBondContact O-CG1 3.28Å; P521-I525 PolarHBondContact O-N 3.41Å; K523-I525 VanDerWaalsContact C-N 3.34Å; K523-I525 PolarHBondContact O-N 3.22Å; I525-Q527 VanDerWaalsContact C-N 3.32Å; I525-Q527 PolarHBondContact O-N 2.93Å; I525-R528 PolarHBondContact O-N 3Å; I525-E529 HydrophobicContact CG2-CG 4.03Å; I525-E529 WeakPolarHBondContact O-CG 3.37Å; I525-E529 PolarHBondContact O-N 2.64Å; I525-V571 HydrophobicContact CB-CG2 4.24Å; I525-V571 HydrophobicContact CG2-CB 3.75Å; I525-V571 HydrophobicContact CG2-CG1 4.09Å; I525-V571 HydrophobicContact CG2-CG2 3.99Å; I525-L574 HydrophobicContact CD1-CB 4.19Å; I525-L574 HydrophobicContact CG2-CB 3.96Å; I525-L574 HydrophobicContact CG2-CD1 3.68Å; I525-L574 HydrophobicContact CG2-CG 4.46Å |
| 526 | A | 95.3 | Very high | 89.4 | Confident | 2 Ų | 2 | 21 Ų | 21 | 2% | 0.017 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -57.5 | -43.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L522 K523 S530 I566 P568 V571 | L522-A526 WeakPolarHBondContact O-CB 3.26Å; L522-A526 PolarHBondContact O-N 3.04Å; K523-A526 PolarHBondContact O-N 3.22Å; A526-S530 WeakPolarHBondContact O-CB 3.41Å; A526-S530 PolarHBondContact O-N 3.26Å; A526-S530 PolarHBondContact O-OG 2.71Å; A526-I566 WeakPolarHBondContact CB-O 3.33Å; A526-P568 HydrophobicContact CB-CG 4.14Å; A526-V571 HydrophobicContact CB-CG2 3.82Å |
| 527 | Q | 96.6 | Very high | 89.4 | Confident | 15 Ų | 15 | 21.6 Ų | 21.6 | 7% | 0.07 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -71.2 | -38.4 | 177.6 | -60.2 | -160.9 | -44.7 | 0 | 0 | 112 | W510 L514 M519 K523 V524 I525 S530 V531 V563 N564 | W510-Q527 HydrophobicContact CH2-CB 4.09Å; W510-Q527 HydrophobicContact CZ3-CB 4.17Å; L514-Q527 HydrophobicContact CD1-CB 4.48Å; M519-Q527 PolarHBondContact SD-OE1 3.48Å; K523-Q527 HydrophobicContact CG-CG 4.23Å; K523-Q527 VanDerWaalsContact O-CG 3.31Å; K523-Q527 WeakPolarHBondContact O-CG 3.18Å; K523-Q527 PolarHBondContact O-N 3.47Å; V524-Q527 PolarHBondContact O-N 3.4Å; I525-Q527 VanDerWaalsContact C-N 3.32Å; I525-Q527 PolarHBondContact O-N 2.93Å; Q527-S530 WeakPolarHBondContact O-CB 3.43Å; Q527-S530 PolarHBondContact O-N 3.49Å; Q527-V531 VanDerWaalsContact O-CG2 3.29Å; Q527-V531 WeakPolarHBondContact O-CG2 3.34Å; Q527-V531 PolarHBondContact O-N 2.9Å; Q527-V563 VanDerWaalsContact CA-O 3.26Å; Q527-V563 WeakPolarHBondContact CA-O 3.2Å; Q527-V563 WeakPolarHBondContact CB-O 3.31Å; Q527-V563 VanDerWaalsContact CG-O 3.24Å; Q527-V563 WeakPolarHBondContact CG-O 3.45Å; Q527-N564 PolarHBondContact NE2-OD1 2.9Å |
| 528 | R | 96.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64 | -45.9 | 175.2 | 174.7 | 50.1 | -170.8 | 148.2 | -8.9 | 112.5 | S467 C468 D507 S511 V524 I525 S530 V531 Y532 | S467-R528 WeakPolarHBondContact OG-CG 3.35Å; S467-R528 PolarHBondContact OG-NE 2.92Å; C468-R528 HydrophobicContact CB-CG 4.3Å; D507-R528 IonicContact OD2-NH1 3.19Å; D507-R528 PolarHBondContact OD2-NH1 3.4Å; S511-R528 WeakPolarHBondContact OG-CB 3.46Å; S511-R528 WeakPolarHBondContact OG-CD 3.5Å; V524-R528 VanDerWaalsContact O-CB 3.28Å; V524-R528 WeakPolarHBondContact O-CB 3.35Å; V524-R528 PolarHBondContact O-N 2.65Å; I525-R528 PolarHBondContact O-N 3Å; R528-S530 VanDerWaalsContact C-N 3.33Å; R528-S530 PolarHBondContact O-N 3.36Å; R528-V531 PolarHBondContact O-N 3.09Å; R528-Y532 PolarHBondContact O-N 3.27Å |
| 529 | E | 96.2 | Very high | 90.6 | Very high | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.005 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -69 | -30.7 | 177.3 | -64.8 | -51.2 | 118.5 | 0 | 0 | 112.4 | Y466 S467 C468 I525 Y532 Q533 I566 V571 L574 | Y466-E529 VanDerWaalsContact CA-OE2 3.28Å; Y466-E529 WeakPolarHBondContact CA-OE2 3.38Å; S467-E529 VanDerWaalsContact CA-OE1 3.29Å; S467-E529 WeakPolarHBondContact CA-OE1 3.49Å; S467-E529 VanDerWaalsContact CB-OE1 3.3Å; S467-E529 WeakPolarHBondContact CB-OE1 3.47Å; S467-E529 VanDerWaalsContact N-CD 3.28Å; S467-E529 PolarHBondContact N-OE1 3.41Å; S467-E529 PolarHBondContact N-OE2 3.5Å; S467-E529 PolarHBondContact OG-OE1 2.83Å; C468-E529 PolarHBondContact N-OE1 2.87Å; I525-E529 HydrophobicContact CG2-CG 4.03Å; I525-E529 WeakPolarHBondContact O-CG 3.37Å; I525-E529 PolarHBondContact O-N 2.64Å; E529-Y532 PolarHBondContact O-N 3.08Å; E529-Q533 WeakPolarHBondContact O-CG 3.27Å; E529-Q533 PolarHBondContact O-N 3.11Å; E529-Q533 PolarHBondContact O-NE2 2.99Å; E529-I566 HydrophobicContact CB-CD1 3.92Å; E529-V571 HydrophobicContact CB-CG1 4.37Å; E529-V571 HydrophobicContact CG-CG1 4.19Å; E529-L574 HydrophobicContact CG-CD1 4.18Å |
| 530 | S | 95.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -62.1 | -49.6 | 171.1 | -61.1 | 0 | 0 | 0 | 0 | 110.9 | A526 Q527 R528 Y532 Q533 H534 L565 I566 | A526-S530 WeakPolarHBondContact O-CB 3.41Å; A526-S530 PolarHBondContact O-N 3.26Å; A526-S530 PolarHBondContact O-OG 2.71Å; Q527-S530 WeakPolarHBondContact O-CB 3.43Å; Q527-S530 PolarHBondContact O-N 3.49Å; R528-S530 VanDerWaalsContact C-N 3.33Å; R528-S530 PolarHBondContact O-N 3.36Å; S530-Y532 VanDerWaalsContact C-N 3.3Å; S530-Y532 PolarHBondContact O-N 2.74Å; S530-Q533 WeakPolarHBondContact O-CB 3.28Å; S530-Q533 PolarHBondContact O-N 3.43Å; S530-Q533 VanDerWaalsContact O-N 3.16Å; S530-H534 PolarHBondContact O-CD2 3.09Å; S530-L565 PolarHBondContact OG-N 2.73Å; S530-I566 WeakPolarHBondContact OG-CB 3.31Å; S530-I566 PolarHBondContact OG-N 3.23Å |
| 531 | V | 95.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 22.8 Ų | 22.8 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62 | -36.6 | 176 | 174.5 | 0 | 0 | 0 | 0 | 111.7 | D507 W510 Q527 R528 Q533 H534 L535 P554 Y558 V563 | D507-V531 HydrophobicContact CB-CG1 4.18Å; D507-V531 WeakPolarHBondContact OD2-CG1 3.4Å; W510-V531 HydrophobicContact CH2-CG2 4.44Å; W510-V531 HydrophobicContact CZ3-CG2 4Å; Q527-V531 VanDerWaalsContact O-CG2 3.29Å; Q527-V531 WeakPolarHBondContact O-CG2 3.34Å; Q527-V531 PolarHBondContact O-N 2.9Å; R528-V531 PolarHBondContact O-N 3.09Å; V531-Q533 VanDerWaalsContact C-N 3.25Å; V531-Q533 PolarHBondContact O-N 3.28Å; V531-H534 PolarHBondContact O-N 3.22Å; V531-H534 VanDerWaalsContact O-N 3.11Å; V531-L535 PolarHBondContact O-N 3.41Å; V531-P554 HydrophobicContact CG1-CB 3.96Å; V531-P554 HydrophobicContact CG1-CG 4.05Å; V531-P554 HydrophobicContact CG2-CB 3.82Å; V531-P554 HydrophobicContact CG2-CG 3.76Å; V531-Y558 HydrophobicContact CG1-CD2 4.15Å; V531-Y558 HydrophobicContact CG1-CE2 3.5Å; V531-Y558 VanDerWaalsContact CG1-CE2 3.5Å; V531-V563 HydrophobicContact CG2-CG1 4.04Å |
| 532 | Y | 95.2 | Very high | 90.9 | Very high | 13 Ų | 13 | 24.6 Ų | 24.6 | 5% | 0.051 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -60.3 | -31.5 | 176.3 | 179.8 | -136.2 | 0 | 0 | 0 | 113.1 | A464 L487 R528 E529 S530 H534 L535 | A464-Y532 PolarHBondContact O-OH 2.79Å; A464-Y532 VanDerWaalsContact O-OH 3.08Å; L487-Y532 HydrophobicContact CD1-CD2 4.05Å; L487-Y532 HydrophobicContact CD1-CE1 4.24Å; L487-Y532 HydrophobicContact CD1-CE2 3.53Å; L487-Y532 HydrophobicContact CD2-CD2 4.06Å; L487-Y532 HydrophobicContact CD2-CE2 3.92Å; L487-Y532 HydrophobicContact CG-CD2 4.21Å; L487-Y532 HydrophobicContact CG-CE2 3.6Å; L487-Y532 PolarHBondContact O-OH 3.44Å; R528-Y532 PolarHBondContact O-N 3.27Å; E529-Y532 PolarHBondContact O-N 3.08Å; S530-Y532 VanDerWaalsContact C-N 3.3Å; S530-Y532 PolarHBondContact O-N 2.74Å; Y532-H534 VanDerWaalsContact C-N 3.29Å; Y532-H534 PolarHBondContact O-N 3.01Å; Y532-L535 HydrophobicContact CD2-CB 4.35Å; Y532-L535 HydrophobicContact CD2-CD2 4.02Å; Y532-L535 HydrophobicContact CE2-CD2 4.22Å; Y532-L535 WeakPolarHBondContact O-CB 3.35Å; Y532-L535 PolarHBondContact O-N 2.93Å |
| 533 | Q | 91.7 | Very high | 90.7 | Very high | 38 Ų | 38 | 23.9 Ų | 23.9 | 18% | 0.178 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.8 | -40.5 | 174.8 | -53.6 | -48.2 | -61.8 | 0 | 0 | 112 | E529 S530 V531 S536 L565 I566 Y953 | E529-Q533 WeakPolarHBondContact O-CG 3.27Å; E529-Q533 PolarHBondContact O-N 3.11Å; E529-Q533 PolarHBondContact O-NE2 2.99Å; S530-Q533 WeakPolarHBondContact O-CB 3.28Å; S530-Q533 PolarHBondContact O-N 3.43Å; S530-Q533 VanDerWaalsContact O-N 3.16Å; V531-Q533 VanDerWaalsContact C-N 3.25Å; V531-Q533 PolarHBondContact O-N 3.28Å; Q533-S536 PolarHBondContact O-OG 3.42Å; Q533-L565 HydrophobicContact CB-CD2 4.13Å; Q533-L565 HydrophobicContact CG-CD2 4.04Å; Q533-I566 HydrophobicContact CG-CD1 4.07Å; Q533-Y953 PolarHBondContact NE2-OH 3.1Å |
| 534 | H | 91.5 | Very high | 90.7 | Very high | 28 Ų | 28 | 21 Ų | 21 | 13% | 0.13 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -69.5 | -35.1 | -179.8 | -66.5 | -83.9 | 0 | 0 | 0 | 112.4 | S530 V531 Y532 S536 Q537 T538 Y558 R560 D562 | S530-H534 PolarHBondContact O-CD2 3.09Å; V531-H534 PolarHBondContact O-N 3.22Å; V531-H534 VanDerWaalsContact O-N 3.11Å; Y532-H534 VanDerWaalsContact C-N 3.29Å; Y532-H534 PolarHBondContact O-N 3.01Å; H534-S536 VanDerWaalsContact C-N 3.29Å; H534-S536 PolarHBondContact O-N 3.28Å; H534-Q537 PolarHBondContact O-N 2.82Å; H534-T538 PolarHBondContact O-N 3.16Å; H534-T538 PolarHBondContact O-OG1 2.88Å; H534-Y558 HydrophobicContact CB-CD1 4.06Å; H534-Y558 HydrophobicContact CB-CG 4.13Å; H534-R560 PolarHBondContact CE1-O 2.79Å; H534-R560 VanDerWaalsContact CE1-O 3.3Å; H534-D562 PolarHBondContact NE2-N 3.41Å |
| 535 | L | 90.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -54.1 | -45 | 179.5 | -175.3 | 70.6 | 0 | 0 | 0 | 111.9 | L487 L500 M503 V531 Y532 Q537 T538 Y558 | L487-L535 HydrophobicContact CD2-CD2 3.78Å; L500-L535 HydrophobicContact CB-CD1 4.02Å; L500-L535 HydrophobicContact CD2-CD1 3.9Å; M503-L535 HydrophobicContact CB-CD1 3.74Å; M503-L535 HydrophobicContact SD-CD1 4.28Å; V531-L535 PolarHBondContact O-N 3.41Å; Y532-L535 HydrophobicContact CD2-CB 4.35Å; Y532-L535 HydrophobicContact CD2-CD2 4.02Å; Y532-L535 HydrophobicContact CE2-CD2 4.22Å; Y532-L535 WeakPolarHBondContact O-CB 3.35Å; Y532-L535 PolarHBondContact O-N 2.93Å; L535-Q537 PolarHBondContact O-N 3.47Å; L535-Q537 VanDerWaalsContact O-N 3.12Å; L535-T538 PolarHBondContact O-N 3.36Å; L535-Y558 HydrophobicContact CD1-CE1 4.44Å; L535-Y558 WeakPolarHBondContact CD1-OH 3.32Å |
| 536 | S | 79.2 | Confident | 90.2 | Very high | 46 Ų | 46 | 28.7 Ų | 28.7 | 32% | 0.322 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.5 | -17.3 | 179.3 | 71.6 | 0 | 0 | 0 | 0 | 115 | Q533 H534 | Q533-S536 PolarHBondContact O-OG 3.42Å; H534-S536 VanDerWaalsContact C-N 3.29Å; H534-S536 PolarHBondContact O-N 3.28Å |
| 537 | Q | 82.2 | Confident | 89.9 | Confident | 38 Ų | 38 | 31.2 Ų | 31.2 | 18% | 0.178 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | 0.7 | -176.5 | -52.7 | -175 | 39.5 | 0 | 0 | 112.5 | H534 L535 N542 L1230 R1235 N1238 | H534-Q537 PolarHBondContact O-N 2.82Å; L535-Q537 PolarHBondContact O-N 3.47Å; L535-Q537 VanDerWaalsContact O-N 3.12Å; Q537-N542 PolarHBondContact O-ND2 3.32Å; Q537-L1230 HydrophobicContact CG-CD1 4.07Å; Q537-R1235 PolarHBondContact O-NH2 2.86Å; Q537-N1238 PolarHBondContact NE2-ND2 2.9Å |
| 538 | T | 88.7 | Confident | 89.4 | Confident | 14 Ų | 14 | 37.9 Ų | 37.9 | 9% | 0.086 | 21% | 0.206 | C | C | . | . | trans | -84.2 | 130.8 | -173 | -58.3 | 0 | 0 | 0 | 0 | 111.4 | W130 L500 M503 H534 L535 M543 Y558 | W130-T538 HydrophobicContact CZ3-CG2 4.44Å; L500-T538 HydrophobicContact CD2-CG2 4.38Å; M503-T538 HydrophobicContact CE-CG2 3.88Å; M503-T538 HydrophobicContact SD-CG2 3.74Å; H534-T538 PolarHBondContact O-N 3.16Å; H534-T538 PolarHBondContact O-OG1 2.88Å; L535-T538 PolarHBondContact O-N 3.36Å; T538-M543 HydrophobicContact CG2-CG 3.75Å; T538-M543 HydrophobicContact CG2-SD 4.31Å; T538-Y558 HydrophobicContact CG2-CD1 4.41Å; T538-Y558 HydrophobicContact CG2-CE1 4.44Å; T538-Y558 WeakPolarHBondContact OG1-CD1 3.33Å; T538-Y558 WeakPolarHBondContact OG1-CE1 3.36Å | ||
| 539 | T | 87.2 | Confident | 89 | Confident | 27 Ų | 27 | 40.5 Ų | 40.5 | 17% | 0.166 | 22% | 0.22 | C | C | . | . | trans | -131.6 | 168.5 | 175.1 | 62.4 | 0 | 0 | 0 | 0 | 109.5 | Q541 N542 R1235 | T539-Q541 PolarHBondContact O-N 3.48Å; T539-N542 PolarHBondContact N-OD1 3.5Å; T539-N542 PolarHBondContact O-N 3.01Å; T539-N542 PolarHBondContact O-OD1 3.31Å; T539-N542 PolarHBondContact OG1-OD1 2.98Å; T539-R1235 PolarHBondContact OG1-NH2 3.39Å | ||
| 540 | A | 85 | Confident | 88.8 | Confident | 34 Ų | 34 | 41.3 Ų | 41.3 | 28% | 0.281 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -18.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | W130 | W130-A540 HydrophobicContact CD2-CB 4.02Å; W130-A540 HydrophobicContact CE3-CB 4.36Å; W130-A540 HydrophobicContact CG-CB 4.22Å |
| 541 | Q | 84.6 | Confident | 88.6 | Confident | 100 Ų | 100 | 44.6 Ų | 44.6 | 47% | 0.467 | 24% | 0.238 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -25.5 | -170.9 | -66.2 | 156.3 | -26.6 | 0 | 0 | 114.4 | T539 | T539-Q541 PolarHBondContact O-N 3.48Š|
| 542 | N | 88 | Confident | 88.4 | Confident | 39 Ų | 39 | 44.8 Ų | 44.8 | 21% | 0.209 | 24% | 0.239 | C | C | . | . | S | Bend | trans | -105.8 | 21.3 | 178.5 | 71 | -14.8 | 0 | 0 | 0 | 113.4 | Q537 T539 Q559 R1235 | Q537-N542 PolarHBondContact O-ND2 3.32Å; T539-N542 PolarHBondContact N-OD1 3.5Å; T539-N542 PolarHBondContact O-N 3.01Å; T539-N542 PolarHBondContact O-OD1 3.31Å; T539-N542 PolarHBondContact OG1-OD1 2.98Å; N542-Q559 VanDerWaalsContact O-CB 3.24Å; N542-Q559 WeakPolarHBondContact O-CB 3.39Å; N542-R1235 PolarHBondContact ND2-NH2 3.26Å |
| 543 | M | 87.2 | Confident | 88.3 | Confident | 16 Ų | 16 | 47.2 Ų | 47.2 | 8% | 0.079 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -94.1 | 148.5 | 170.1 | -89.1 | -164.3 | -62 | 0 | 0 | 111.5 | W130 Y132 M503 T538 S545 Y550 | W130-M543 HydrophobicContact CE3-CE 3.53Å; W130-M543 HydrophobicContact CZ3-CE 4.06Å; Y132-M543 HydrophobicContact CD1-CE 3.72Å; Y132-M543 HydrophobicContact CD1-SD 3.98Å; Y132-M543 HydrophobicContact CE1-CE 4.05Å; Y132-M543 HydrophobicContact CE1-SD 4.15Å; M503-M543 HydrophobicContact CE-CE 4.15Å; M503-M543 HydrophobicContact CE-SD 3.36Å; M503-M543 WeakPolarHBondContact CE-SD 2.99Å; T538-M543 HydrophobicContact CG2-CG 3.75Å; T538-M543 HydrophobicContact CG2-SD 4.31Å; M543-S545 PolarHBondContact O-N 3.39Å; M543-Y550 WeakPolarHBondContact CB-OH 3.46Å; M543-Y550 HydrophobicContact SD-CE2 4.17Å; M543-Y550 PolarHBondContact SD-OH 3.48Å |
| 544 | P | 90.5 | Very high | 88.4 | Confident | 30 Ų | 30 | 45.4 Ų | 45.4 | 20% | 0.195 | 24% | 0.244 | C | C | . | . | trans | -58.4 | 127.9 | 167.1 | -20.6 | 33 | 0 | 0 | 0 | 111.5 | N546 F547 Y550 R557 | P544-N546 WeakPolarHBondContact CB-OD1 3.37Å; P544-N546 PolarHBondContact O-N 3.1Å; P544-F547 WeakPolarHBondContact O-CD1 3.42Å; P544-F547 VanDerWaalsContact O-CE1 3.27Å; P544-F547 WeakPolarHBondContact O-CE1 3.33Å; P544-Y550 HydrophobicContact CB-CE1 4.38Å; P544-Y550 WeakPolarHBondContact O-CE1 3.5Å; P544-Y550 PolarHBondContact O-OH 3.08Å; P544-R557 VanDerWaalsContact CD-O 3.26Å; P544-R557 WeakPolarHBondContact CD-O 3.06Å | ||
| 545 | S | 88.3 | Confident | 88.5 | Confident | 102 Ų | 102 | 48.8 Ų | 48.8 | 71% | 0.713 | 26% | 0.261 | S | S | * | . | S | Bend | trans | -75.7 | -7.9 | -174.5 | 55.6 | 0 | 0 | 0 | 0 | 114.7 | M543 F547 | M543-S545 PolarHBondContact O-N 3.39Å; S545-F547 PolarHBondContact O-N 3.27Å |
| 546 | N | 88.3 | Confident | 88.7 | Confident | 59 Ų | 59 | 50.1 Ų | 50.1 | 32% | 0.316 | 27% | 0.27 | S | S | . | . | trans | -79.9 | 60.8 | 177.1 | 58.1 | -41.1 | 0 | 0 | 0 | 111.7 | P544 H548 D549 | P544-N546 WeakPolarHBondContact CB-OD1 3.37Å; P544-N546 PolarHBondContact O-N 3.1Å; N546-H548 PolarHBondContact O-N 2.64Å; N546-D549 WeakPolarHBondContact ND2-CB 3.14Å; N546-D549 PolarHBondContact ND2-OD2 3.28Å; N546-D549 WeakPolarHBondContact O-CB 3.44Å; N546-D549 PolarHBondContact O-N 2.66Å | ||
| 547 | F | 89.9 | Confident | 89.4 | Confident | 55 Ų | 55 | 48 Ų | 48 | 24% | 0.241 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -57 | -22.3 | -175.8 | -50.1 | -45 | 0 | 0 | 0 | 114.7 | P131 Y132 P544 S545 D549 Y550 | P131-F547 HydrophobicContact CB-CD2 4.12Å; P131-F547 HydrophobicContact CB-CE2 3.56Å; P131-F547 HydrophobicContact CB-CZ 4.11Å; Y132-F547 VanDerWaalsContact CB-CD1 3.43Å; P544-F547 WeakPolarHBondContact O-CD1 3.42Å; P544-F547 VanDerWaalsContact O-CE1 3.27Å; P544-F547 WeakPolarHBondContact O-CE1 3.33Å; S545-F547 PolarHBondContact O-N 3.27Å; F547-D549 VanDerWaalsContact C-N 3.28Å; F547-D549 PolarHBondContact O-N 3.19Å; F547-Y550 HydrophobicContact CD1-CE1 4.03Å; F547-Y550 HydrophobicContact CD1-CE2 4.28Å; F547-Y550 AromaticContact CD1-CZ 3.79Å; F547-Y550 WeakPolarHBondContact O-CB 3.47Å; F547-Y550 PolarHBondContact O-N 3.38Å |
| 548 | H | 85.8 | Confident | 89.9 | Confident | 154 Ų | 154 | 46.6 Ų | 46.6 | 71% | 0.713 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | -70.2 | -21.7 | 174.9 | 52.8 | -96.7 | 0 | 0 | 0 | 113.5 | N546 Y550 | N546-H548 PolarHBondContact O-N 2.64Å; H548-Y550 VanDerWaalsContact C-N 3.35Å |
| 549 | D | 87.9 | Confident | 89.8 | Confident | 55 Ų | 55 | 51.5 Ų | 51.5 | 29% | 0.294 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -84.3 | -6.8 | 176.4 | -82.9 | -49.1 | 0 | 0 | 0 | 114.2 | N546 F547 K551 | N546-D549 WeakPolarHBondContact ND2-CB 3.14Å; N546-D549 PolarHBondContact ND2-OD2 3.28Å; N546-D549 WeakPolarHBondContact O-CB 3.44Å; N546-D549 PolarHBondContact O-N 2.66Å; F547-D549 VanDerWaalsContact C-N 3.28Å; F547-D549 PolarHBondContact O-N 3.19Å; D549-K551 WeakPolarHBondContact O-CD 3.06Å; D549-K551 WeakPolarHBondContact O-CE 3.47Å; D549-K551 VanDerWaalsContact O-CG 3.22Å; D549-K551 WeakPolarHBondContact O-CG 3.37Å; D549-K551 PolarHBondContact O-N 3.22Å; D549-K551 VanDerWaalsContact O-N 3.12Å; D549-K551 PolarHBondContact O-NZ 3.44Å; D549-K551 VanDerWaalsContact O-NZ 3.16Å; D549-K551 IonicContact OD1-NZ 3.97Å; D549-K551 PolarHBondContact OD1-NZ 3.35Å |
| 550 | Y | 92.8 | Very high | 89.7 | Confident | 18 Ų | 18 | 59.4 Ų | 59.4 | 7% | 0.071 | 30% | 0.296 | C | S | . | . | trans | -63.4 | 114.1 | -169.9 | -83.1 | 29.5 | 0 | 0 | 0 | 111.9 | R72 Y132 M543 P544 F547 H548 T556 R557 | R72-Y550 PolarHBondContact NH1-O 3.28Å; Y132-Y550 AromaticContact CD2-CD2 3.63Å; Y132-Y550 HydrophobicContact CD2-CD2 3.63Å; Y132-Y550 AromaticContact CD2-CE2 3.71Å; Y132-Y550 HydrophobicContact CD2-CE2 3.71Å; Y132-Y550 HydrophobicContact CE2-CD2 4.42Å; Y132-Y550 HydrophobicContact CE2-CE2 4.46Å; Y132-Y550 HydrophobicContact CG-CD2 4.09Å; Y132-Y550 AromaticContact CG-CE2 3.77Å; Y132-Y550 HydrophobicContact CG-CE2 3.77Å; M543-Y550 WeakPolarHBondContact CB-OH 3.46Å; M543-Y550 HydrophobicContact SD-CE2 4.17Å; M543-Y550 PolarHBondContact SD-OH 3.48Å; P544-Y550 HydrophobicContact CB-CE1 4.38Å; P544-Y550 WeakPolarHBondContact O-CE1 3.5Å; P544-Y550 PolarHBondContact O-OH 3.08Å; F547-Y550 HydrophobicContact CD1-CE1 4.03Å; F547-Y550 HydrophobicContact CD1-CE2 4.28Å; F547-Y550 AromaticContact CD1-CZ 3.79Å; F547-Y550 WeakPolarHBondContact O-CB 3.47Å; F547-Y550 PolarHBondContact O-N 3.38Å; H548-Y550 VanDerWaalsContact C-N 3.35Å; Y550-T556 VanDerWaalsContact CD1-O 3.29Å; Y550-T556 WeakPolarHBondContact CD1-O 2.37Å; Y550-T556 VanDerWaalsContact CE1-O 3.24Å; Y550-T556 WeakPolarHBondContact CE1-O 3.02Å; Y550-R557 HydrophobicContact CD1-CG 4.39Å; Y550-R557 HydrophobicContact CD2-CG 3.78Å; Y550-R557 HydrophobicContact CE2-CB 4.35Å; Y550-R557 HydrophobicContact CE2-CG 4.1Å; Y550-R557 HydrophobicContact CG-CG 3.92Å | ||
| 551 | K | 90.9 | Very high | 89.8 | Confident | 69 Ų | 69 | 58.4 Ų | 58.4 | 30% | 0.3 | 29% | 0.287 | S | S | . | . | trans | -115.9 | 179.6 | -173.6 | -77.4 | 146.5 | -160.8 | 143.9 | 0 | 110 | M75 Q77 D549 D553 T556 R557 | M75-K551 HydrophobicContact CE-CG 3.62Å; Q77-K551 VanDerWaalsContact OE1-CB 3.26Å; D549-K551 WeakPolarHBondContact O-CD 3.06Å; D549-K551 WeakPolarHBondContact O-CE 3.47Å; D549-K551 VanDerWaalsContact O-CG 3.22Å; D549-K551 WeakPolarHBondContact O-CG 3.37Å; D549-K551 PolarHBondContact O-N 3.22Å; D549-K551 VanDerWaalsContact O-N 3.12Å; D549-K551 PolarHBondContact O-NZ 3.44Å; D549-K551 VanDerWaalsContact O-NZ 3.16Å; D549-K551 IonicContact OD1-NZ 3.97Å; D549-K551 PolarHBondContact OD1-NZ 3.35Å; K551-D553 PolarHBondContact O-N 2.88Å; K551-T556 HydrophobicContact CB-CG2 4.15Å; K551-T556 HydrophobicContact CD-CG2 4.12Å; K551-T556 PolarHBondContact N-OG1 3.14Å; K551-R557 WeakPolarHBondContact O-CD 2.86Å; K551-R557 PolarHBondContact O-NE 2.78Å | ||
| 552 | L | 92.1 | Very high | 90.1 | Very high | 5 Ų | 5 | 56.9 Ų | 56.9 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | S | Bend | trans | -60.5 | -37.1 | 172.1 | -81.3 | 171.9 | 0 | 0 | 0 | 111.1 | Q77 Y78 E104 L108 L506 A509 W510 P554 R557 | Q77-L552 HydrophobicContact CG-CD1 4.38Å; Y78-L552 HydrophobicContact CD1-CD1 4.29Å; Y78-L552 HydrophobicContact CE1-CD1 3.82Å; E104-L552 HydrophobicContact CB-CD2 4.07Å; E104-L552 HydrophobicContact CG-CD2 3.92Å; E104-L552 WeakPolarHBondContact OE2-CD2 3.49Å; L108-L552 HydrophobicContact CD1-CD1 3.98Å; L108-L552 HydrophobicContact CD2-CD1 3.91Å; L108-L552 HydrophobicContact CG-CD1 4.06Å; L506-L552 HydrophobicContact CD2-CD2 4.46Å; A509-L552 HydrophobicContact CB-CD2 3.71Å; W510-L552 HydrophobicContact CB-CB 4.45Å; L552-P554 WeakPolarHBondContact O-CD 2.48Å; L552-R557 PolarHBondContact O-NH2 3.05Å |
| 553 | D | 92.1 | Very high | 90.3 | Very high | 63 Ų | 63 | 56.1 Ų | 56.1 | 34% | 0.337 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -54.8 | 116.9 | 177.1 | -175.8 | -3.2 | 0 | 0 | 0 | 112.6 | K551 M555 T556 | K551-D553 PolarHBondContact O-N 2.88Å; D553-M555 PolarHBondContact O-N 2.83Å; D553-M555 VanDerWaalsContact OD1-CB 3.3Å; D553-M555 WeakPolarHBondContact OD1-CB 3.12Å; D553-M555 VanDerWaalsContact OD1-CG 3.27Å; D553-M555 WeakPolarHBondContact OD1-CG 3.39Å; D553-M555 PolarHBondContact OD1-N 2.86Å; D553-T556 HydrophobicContact CB-CG2 4.29Å; D553-T556 PolarHBondContact O-N 2.81Å; D553-T556 VanDerWaalsContact O-N 3.08Å; D553-T556 PolarHBondContact O-OG1 3.12Å |
| 554 | P | 94.7 | Very high | 90.5 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 30% | 0.299 | C | S | . | . | G | 310 helix | trans | -54 | -30.4 | 174.6 | -26.5 | 35.7 | 0 | 0 | 0 | 114.2 | W510 V531 L552 T556 R557 Y558 | W510-P554 VanDerWaalsContact CD2-CD 3.46Å; W510-P554 HydrophobicContact CD2-CG 3.71Å; W510-P554 HydrophobicContact CE3-CG 3.68Å; W510-P554 HydrophobicContact CG-CG 4.27Å; W510-P554 HydrophobicContact CH2-CG 4.1Å; W510-P554 HydrophobicContact CZ2-CG 4.14Å; W510-P554 HydrophobicContact CZ3-CG 3.89Å; V531-P554 HydrophobicContact CG1-CB 3.96Å; V531-P554 HydrophobicContact CG1-CG 4.05Å; V531-P554 HydrophobicContact CG2-CB 3.82Å; V531-P554 HydrophobicContact CG2-CG 3.76Å; L552-P554 WeakPolarHBondContact O-CD 2.48Å; P554-T556 PolarHBondContact O-N 2.9Å; P554-R557 PolarHBondContact O-N 3.09Å; P554-Y558 HydrophobicContact CB-CD2 3.86Å; P554-Y558 HydrophobicContact CB-CE2 4.11Å; P554-Y558 WeakPolarHBondContact O-CD2 3.47Å; P554-Y558 PolarHBondContact O-N 3.18Å |
| 555 | M | 93 | Very high | 90.6 | Very high | 100 Ų | 100 | 60.6 Ų | 60.6 | 49% | 0.493 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -61.2 | -25 | 178.5 | -58.5 | -59.8 | -63.8 | 0 | 0 | 112.4 | D553 R557 C561 V563 | D553-M555 PolarHBondContact O-N 2.83Å; D553-M555 VanDerWaalsContact OD1-CB 3.3Å; D553-M555 WeakPolarHBondContact OD1-CB 3.12Å; D553-M555 VanDerWaalsContact OD1-CG 3.27Å; D553-M555 WeakPolarHBondContact OD1-CG 3.39Å; D553-M555 PolarHBondContact OD1-N 2.86Å; M555-R557 VanDerWaalsContact C-N 3.31Å; M555-C561 HydrophobicContact CE-CB 4.48Å; M555-C561 WeakPolarHBondContact CE-O 3.1Å; M555-C561 HydrophobicContact SD-CB 3.75Å; M555-V563 HydrophobicContact SD-CG1 4.03Å |
| 556 | T | 93.6 | Very high | 90.8 | Very high | 29 Ų | 29 | 56.9 Ų | 56.9 | 18% | 0.178 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -82.3 | -6.5 | 176.8 | 66.3 | 0 | 0 | 0 | 0 | 113.9 | Y550 K551 D553 P554 | Y550-T556 VanDerWaalsContact CD1-O 3.29Å; Y550-T556 WeakPolarHBondContact CD1-O 2.37Å; Y550-T556 VanDerWaalsContact CE1-O 3.24Å; Y550-T556 WeakPolarHBondContact CE1-O 3.02Å; K551-T556 HydrophobicContact CB-CG2 4.15Å; K551-T556 HydrophobicContact CD-CG2 4.12Å; K551-T556 PolarHBondContact N-OG1 3.14Å; D553-T556 HydrophobicContact CB-CG2 4.29Å; D553-T556 PolarHBondContact O-N 2.81Å; D553-T556 VanDerWaalsContact O-N 3.08Å; D553-T556 PolarHBondContact O-OG1 3.12Å; P554-T556 PolarHBondContact O-N 2.9Å |
| 557 | R | 94.3 | Very high | 90.9 | Very high | 2 Ų | 2 | 56.2 Ų | 56.2 | 1% | 0.008 | 27% | 0.273 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.7 | -29.4 | -168 | -62.1 | -175.3 | -78.1 | 106.4 | -5.9 | 114.3 | D507 P544 Y550 K551 L552 P554 M555 | D507-R557 IonicContact OD1-CZ 2.67Å; D507-R557 VanDerWaalsContact OD1-CZ 3.22Å; D507-R557 IonicContact OD1-NH1 3.71Å; D507-R557 PolarHBondContact OD1-NH1 3.11Å; D507-R557 IonicContact OD1-NH2 3.99Å; D507-R557 PolarHBondContact OD1-NH2 2.76Å; P544-R557 VanDerWaalsContact CD-O 3.26Å; P544-R557 WeakPolarHBondContact CD-O 3.06Å; Y550-R557 HydrophobicContact CD1-CG 4.39Å; Y550-R557 HydrophobicContact CD2-CG 3.78Å; Y550-R557 HydrophobicContact CE2-CB 4.35Å; Y550-R557 HydrophobicContact CE2-CG 4.1Å; Y550-R557 HydrophobicContact CG-CG 3.92Å; K551-R557 WeakPolarHBondContact O-CD 2.86Å; K551-R557 PolarHBondContact O-NE 2.78Å; L552-R557 PolarHBondContact O-NH2 3.05Å; P554-R557 PolarHBondContact O-N 3.09Å; M555-R557 VanDerWaalsContact C-N 3.31Å |
| 558 | Y | 93.4 | Very high | 90.9 | Very high | 7 Ų | 7 | 56.4 Ų | 56.4 | 3% | 0.027 | 28% | 0.28 | C | S | . | . | S | Bend | trans | -113.4 | 123.9 | -179.1 | -58.4 | -71.5 | 0 | 0 | 0 | 111.3 | M503 D507 V531 H534 L535 T538 P554 R560 C561 | M503-Y558 HydrophobicContact SD-CE1 3.96Å; D507-Y558 WeakPolarHBondContact OD1-CE2 3.37Å; D507-Y558 PolarHBondContact OD1-OH 2.88Å; D507-Y558 PolarHBondContact OD2-OH 3.09Å; V531-Y558 HydrophobicContact CG1-CD2 4.15Å; V531-Y558 HydrophobicContact CG1-CE2 3.5Å; V531-Y558 VanDerWaalsContact CG1-CE2 3.5Å; H534-Y558 HydrophobicContact CB-CD1 4.06Å; H534-Y558 HydrophobicContact CB-CG 4.13Å; L535-Y558 HydrophobicContact CD1-CE1 4.44Å; L535-Y558 WeakPolarHBondContact CD1-OH 3.32Å; T538-Y558 HydrophobicContact CG2-CD1 4.41Å; T538-Y558 HydrophobicContact CG2-CE1 4.44Å; T538-Y558 WeakPolarHBondContact OG1-CD1 3.33Å; T538-Y558 WeakPolarHBondContact OG1-CE1 3.36Å; P554-Y558 HydrophobicContact CB-CD2 3.86Å; P554-Y558 HydrophobicContact CB-CE2 4.11Å; P554-Y558 WeakPolarHBondContact O-CD2 3.47Å; P554-Y558 PolarHBondContact O-N 3.18Å; Y558-R560 PolarHBondContact O-N 2.85Å; Y558-C561 PolarHBondContact O-N 2.7Å |
| 559 | Q | 86.2 | Confident | 91 | Very high | 117 Ų | 117 | 56.7 Ų | 56.7 | 55% | 0.547 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 128.6 | 177.7 | -172.6 | -179.1 | 52.1 | 0 | 0 | 110.8 | N542 C561 | N542-Q559 VanDerWaalsContact O-CB 3.24Å; N542-Q559 WeakPolarHBondContact O-CB 3.39Å; Q559-C561 VanDerWaalsContact C-N 3.31Å; Q559-C561 PolarHBondContact O-N 3.4Å |
| 560 | R | 84.9 | Confident | 91.1 | Very high | 194 Ų | 194 | 57.9 Ų | 57.9 | 73% | 0.732 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.1 | 44.1 | -175.8 | -58 | 175.7 | -172.4 | 170.3 | 1.9 | 113 | H534 Y558 D562 | H534-R560 PolarHBondContact CE1-O 2.79Å; H534-R560 VanDerWaalsContact CE1-O 3.3Å; Y558-R560 PolarHBondContact O-N 2.85Å; R560-D562 PolarHBondContact O-N 2.69Å |
| 561 | C | 87.9 | Confident | 91.1 | Very high | 12 Ų | 12 | 57.2 Ų | 57.2 | 8% | 0.081 | 28% | 0.281 | C | S | . | . | trans | -63.9 | 130.8 | 172.5 | -162.7 | 0 | 0 | 0 | 0 | 110.8 | M555 Y558 Q559 | M555-C561 HydrophobicContact CE-CB 4.48Å; M555-C561 WeakPolarHBondContact CE-O 3.1Å; M555-C561 HydrophobicContact SD-CB 3.75Å; Y558-C561 PolarHBondContact O-N 2.7Å; Q559-C561 VanDerWaalsContact C-N 3.31Å; Q559-C561 PolarHBondContact O-N 3.4Å | ||
| 562 | D | 90.6 | Very high | 91.1 | Very high | 68 Ų | 68 | 60 Ų | 60 | 36% | 0.364 | 30% | 0.295 | S | S | . | . | trans | -114.7 | 106.7 | 162.7 | 178.5 | 13.5 | 0 | 0 | 0 | 109 | H534 R560 N564 L565 | H534-D562 PolarHBondContact NE2-N 3.41Å; R560-D562 PolarHBondContact O-N 2.69Å; D562-N564 PolarHBondContact O-N 2.81Å; D562-N564 PolarHBondContact OD1-N 3.09Å; D562-L565 HydrophobicContact CB-CB 4.32Å; D562-L565 PolarHBondContact O-N 2.85Å; D562-L565 PolarHBondContact OD2-N 3.33Å | ||
| 563 | V | 91.9 | Very high | 91.1 | Very high | 23 Ų | 23 | 64 Ų | 64 | 14% | 0.139 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -3.5 | 178 | -59.8 | 0 | 0 | 0 | 0 | 113.2 | W510 Q527 V531 M555 | W510-V563 HydrophobicContact CH2-CB 4.2Å; W510-V563 HydrophobicContact CH2-CG1 3.9Å; W510-V563 HydrophobicContact CZ2-CG1 4.41Å; Q527-V563 VanDerWaalsContact CA-O 3.26Å; Q527-V563 WeakPolarHBondContact CA-O 3.2Å; Q527-V563 WeakPolarHBondContact CB-O 3.31Å; Q527-V563 VanDerWaalsContact CG-O 3.24Å; Q527-V563 WeakPolarHBondContact CG-O 3.45Å; V531-V563 HydrophobicContact CG2-CG1 4.04Å; M555-V563 HydrophobicContact SD-CG1 4.03Å |
| 564 | N | 91.5 | Very high | 91.1 | Very high | 93 Ų | 93 | 61.6 Ų | 61.6 | 50% | 0.497 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -119.3 | 12.6 | 179.3 | -45.2 | -78.6 | 0 | 0 | 0 | 113.4 | Q527 D562 I566 | Q527-N564 PolarHBondContact NE2-OD1 2.9Å; D562-N564 PolarHBondContact O-N 2.81Å; D562-N564 PolarHBondContact OD1-N 3.09Å; N564-I566 PolarHBondContact O-N 2.84Å; N564-I566 VanDerWaalsContact O-N 3.1Å |
| 565 | L | 91.9 | Very high | 91.1 | Very high | 48 Ų | 48 | 63.2 Ų | 63.2 | 25% | 0.251 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -52.5 | -31.1 | 178.9 | 178.8 | 63.4 | 0 | 0 | 0 | 113.4 | S530 Q533 D562 N1242 | S530-L565 PolarHBondContact OG-N 2.73Å; Q533-L565 HydrophobicContact CB-CD2 4.13Å; Q533-L565 HydrophobicContact CG-CD2 4.04Å; D562-L565 HydrophobicContact CB-CB 4.32Å; D562-L565 PolarHBondContact O-N 2.85Å; D562-L565 PolarHBondContact OD2-N 3.33Å; L565-N1242 HydrophobicContact CD1-CB 4.34Å |
| 566 | I | 92.3 | Very high | 91 | Very high | 23 Ų | 23 | 62.7 Ų | 62.7 | 12% | 0.118 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -110.6 | 129.4 | 173.6 | -63.7 | 175.4 | 0 | 0 | 0 | 108.7 | A526 E529 S530 Q533 N564 Q570 V571 | A526-I566 WeakPolarHBondContact CB-O 3.33Å; E529-I566 HydrophobicContact CB-CD1 3.92Å; S530-I566 WeakPolarHBondContact OG-CB 3.31Å; S530-I566 PolarHBondContact OG-N 3.23Å; Q533-I566 HydrophobicContact CG-CD1 4.07Å; N564-I566 PolarHBondContact O-N 2.84Å; N564-I566 VanDerWaalsContact O-N 3.1Å; I566-Q570 HydrophobicContact CG2-CB 3.96Å; I566-V571 HydrophobicContact CG2-CG1 3.69Å |
| 567 | S | 91.2 | Very high | 90.5 | Very high | 46 Ų | 46 | 65.1 Ų | 65.1 | 32% | 0.322 | 31% | 0.313 | S | S | . | . | trans | -82.7 | 151.4 | 178 | 70.6 | 0 | 0 | 0 | 0 | 112.7 | K569 Q570 | S567-K569 PolarHBondContact O-N 2.85Å; S567-Q570 PolarHBondContact O-N 2.84Å; S567-Q570 PolarHBondContact OG-OE1 2.99Å | ||
| 568 | P | 89.2 | Confident | 89.4 | Confident | 59 Ų | 59 | 67.7 Ų | 67.7 | 38% | 0.383 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.6 | -28.7 | 173.3 | -31.4 | 37.8 | 0 | 0 | 0 | 115.2 | L522 A526 V571 Q572 | L522-P568 HydrophobicContact CB-CB 4.02Å; A526-P568 HydrophobicContact CB-CG 4.14Å; P568-V571 WeakPolarHBondContact O-CG2 3.39Å; P568-Q572 PolarHBondContact O-N 3.04Å |
| 569 | K | 88.5 | Confident | 87.7 | Confident | 160 Ų | 160 | 72.2 Ų | 72.2 | 70% | 0.696 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -30.6 | 178.5 | -171.7 | 174.6 | -178.9 | 177.7 | 0 | 113 | S567 | S567-K569 PolarHBondContact O-N 2.85Š|
| 570 | Q | 90.9 | Very high | 86 | Confident | 79 Ų | 79 | 73.4 Ų | 73.4 | 37% | 0.369 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.1 | -33.4 | 178.5 | -72 | 159 | -92.4 | 0 | 0 | 112 | I566 S567 H573 | I566-Q570 HydrophobicContact CG2-CB 3.96Å; S567-Q570 PolarHBondContact O-N 2.84Å; S567-Q570 PolarHBondContact OG-OE1 2.99Å; Q570-H573 PolarHBondContact O-CE1 3Å; Q570-H573 VanDerWaalsContact O-CE1 3.22Å; Q570-H573 PolarHBondContact O-ND1 2.84Å; Q570-H573 VanDerWaalsContact O-ND1 3.11Å |
| 571 | V | 92 | Very high | 84.3 | Confident | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.024 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.8 | 12 | -178 | -64.6 | 0 | 0 | 0 | 0 | 113.9 | I525 A526 E529 I566 P568 H573 L574 | I525-V571 HydrophobicContact CB-CG2 4.24Å; I525-V571 HydrophobicContact CG2-CB 3.75Å; I525-V571 HydrophobicContact CG2-CG1 4.09Å; I525-V571 HydrophobicContact CG2-CG2 3.99Å; A526-V571 HydrophobicContact CB-CG2 3.82Å; E529-V571 HydrophobicContact CB-CG1 4.37Å; E529-V571 HydrophobicContact CG-CG1 4.19Å; I566-V571 HydrophobicContact CG2-CG1 3.69Å; P568-V571 WeakPolarHBondContact O-CG2 3.39Å; V571-H573 PolarHBondContact O-N 3.45Å; V571-H573 VanDerWaalsContact O-N 3.11Å; V571-L574 HydrophobicContact CB-CD1 4.11Å; V571-L574 HydrophobicContact CG1-CD1 4.11Å; V571-L574 WeakPolarHBondContact O-CB 3.46Å; V571-L574 PolarHBondContact O-N 2.61Å |
| 572 | Q | 90.1 | Very high | 82.4 | Confident | 127 Ų | 127 | 69.4 Ų | 69.4 | 59% | 0.593 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -56.1 | -33.1 | -177.9 | -172.4 | 176.1 | -3.5 | 0 | 0 | 113.2 | L522 P568 L574 Y575 | L522-Q572 HydrophobicContact CD2-CB 4.43Å; P568-Q572 PolarHBondContact O-N 3.04Å; Q572-L574 PolarHBondContact O-N 3.23Å; Q572-Y575 PolarHBondContact O-N 2.82Å |
| 573 | H | 91.8 | Very high | 80 | Confident | 90 Ų | 90 | 71.1 Ų | 71.1 | 42% | 0.417 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -69.4 | -10.5 | 177.4 | 66.5 | -86.4 | 0 | 0 | 0 | 114.6 | Y466 Q570 V571 | Y466-H573 AromaticContact CE1-NE2 3.53Å; Y466-H573 AromaticContact CE2-NE2 3.76Å; Y466-H573 AromaticContact CZ-NE2 3.27Å; Y466-H573 VanDerWaalsContact CZ-NE2 3.27Å; Y466-H573 PolarHBondContact OH-NE2 3.01Å; Q570-H573 PolarHBondContact O-CE1 3Å; Q570-H573 VanDerWaalsContact O-CE1 3.22Å; Q570-H573 PolarHBondContact O-ND1 2.84Å; Q570-H573 VanDerWaalsContact O-ND1 3.11Å; V571-H573 PolarHBondContact O-N 3.45Å; V571-H573 VanDerWaalsContact O-N 3.11Å |
| 574 | L | 94 | Very high | 77.6 | Confident | 13 Ų | 13 | 74.4 Ų | 74.4 | 7% | 0.068 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -96.5 | -2.9 | 176.6 | -57.7 | 177 | 0 | 0 | 0 | 112.9 | Y466 N469 I470 I525 E529 V571 Q572 | Y466-L574 HydrophobicContact CD1-CD1 3.63Å; Y466-L574 HydrophobicContact CD1-CD2 4.2Å; Y466-L574 HydrophobicContact CD1-CG 4.42Å; Y466-L574 HydrophobicContact CD2-CD2 3.81Å; Y466-L574 HydrophobicContact CE1-CD1 4.3Å; Y466-L574 HydrophobicContact CE2-CD2 4.33Å; Y466-L574 HydrophobicContact CG-CD1 3.85Å; Y466-L574 HydrophobicContact CG-CD2 3.75Å; Y466-L574 HydrophobicContact CG-CG 4.41Å; N469-L574 WeakPolarHBondContact CA-O 3.45Å; N469-L574 HydrophobicContact CB-CB 4.47Å; N469-L574 WeakPolarHBondContact CB-O 3.3Å; I470-L574 PolarHBondContact N-O 2.65Å; I525-L574 HydrophobicContact CD1-CB 4.19Å; I525-L574 HydrophobicContact CG2-CB 3.96Å; I525-L574 HydrophobicContact CG2-CD1 3.68Å; I525-L574 HydrophobicContact CG2-CG 4.46Å; E529-L574 HydrophobicContact CG-CD1 4.18Å; V571-L574 HydrophobicContact CB-CD1 4.11Å; V571-L574 HydrophobicContact CG1-CD1 4.11Å; V571-L574 WeakPolarHBondContact O-CB 3.46Å; V571-L574 PolarHBondContact O-N 2.61Å; Q572-L574 PolarHBondContact O-N 3.23Å |
| 575 | Y | 93.7 | Very high | 75.3 | Confident | 34 Ų | 34 | 73.9 Ų | 73.9 | 13% | 0.133 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 96.4 | 172.6 | -179 | -149.6 | 0 | 0 | 0 | 109 | I470 E472 L477 P521 L522 Q572 K577 | I470-Y575 HydrophobicContact CB-CD2 4.16Å; I470-Y575 HydrophobicContact CG2-CD2 4.09Å; I470-Y575 HydrophobicContact CG2-CE2 4.21Å; I470-Y575 CarbonylContact O-C 3.4Å; I470-Y575 WeakPolarHBondContact O-CA 3.39Å; E472-Y575 HydrophobicContact CB-CE2 4.27Å; E472-Y575 VanDerWaalsContact OE2-CE2 3.3Å; E472-Y575 WeakPolarHBondContact OE2-CE2 3.31Å; E472-Y575 VanDerWaalsContact OE2-CZ 3.24Å; E472-Y575 PolarHBondContact OE2-OH 3Å; L477-Y575 HydrophobicContact CD2-CE2 3.94Å; P521-Y575 HydrophobicContact CB-CD1 4.39Å; P521-Y575 HydrophobicContact CB-CD2 3.97Å; P521-Y575 HydrophobicContact CB-CE1 4.11Å; P521-Y575 HydrophobicContact CB-CE2 3.73Å; P521-Y575 HydrophobicContact CB-CG 4.3Å; P521-Y575 HydrophobicContact CG-CE2 4.07Å; L522-Y575 HydrophobicContact CD1-CD1 4.17Å; L522-Y575 VanDerWaalsContact CD2-CB 3.47Å; L522-Y575 HydrophobicContact CD2-CD1 3.73Å; L522-Y575 HydrophobicContact CD2-CG 4.06Å; L522-Y575 HydrophobicContact CG-CD1 3.56Å; L522-Y575 HydrophobicContact CG-CE1 4.28Å; L522-Y575 HydrophobicContact CG-CG 4.28Å; Q572-Y575 PolarHBondContact O-N 2.82Å; Y575-K577 HydrophobicContact CE2-CG 4.43Å; Y575-K577 WeakPolarHBondContact OH-CE 3.14Å; Y575-K577 PolarHBondContact OH-NZ 3.43Å |
| 576 | I | 90 | Very high | 72.8 | Confident | 88 Ų | 88 | 79.1 Ų | 79.1 | 45% | 0.451 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 112.3 | -168.2 | -58.6 | 174.4 | 0 | 0 | 0 | 108.4 | I470 L471 E472 | I470-I576 PolarHBondContact O-N 3.48Å; L471-I576 CarbonylContact C-O 3.56Å; L471-I576 WeakPolarHBondContact CA-O 3.42Å; L471-I576 HydrophobicContact CD2-CB 3.87Å; L471-I576 HydrophobicContact CD2-CD1 3.83Å; L471-I576 HydrophobicContact CD2-CG1 4.25Å; L471-I576 HydrophobicContact CD2-CG2 4.45Å; E472-I576 PolarHBondContact N-O 2.89Å |
| 577 | K | 84.4 | Confident | 70.1 | Confident | 81 Ų | 81 | 87 Ų | 87 | 35% | 0.352 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 144.8 | 172.8 | -68.9 | 176.6 | 175.1 | -74 | 0 | 110 | E472 Y575 | E472-K577 HydrophobicContact CB-CG 4.11Å; E472-K577 IonicContact OE1-NZ 2.7Å; E472-K577 PolarHBondContact OE1-NZ 2.92Å; E472-K577 IonicContact OE2-NZ 3.61Å; E472-K577 PolarHBondContact OE2-NZ 2.91Å; Y575-K577 HydrophobicContact CE2-CG 4.43Å; Y575-K577 WeakPolarHBondContact OH-CE 3.14Å; Y575-K577 PolarHBondContact OH-NZ 3.43Å |
| 578 | D | 70.3 | Confident | 67.1 | Low | 56 Ų | 56 | 87.5 Ų | 87.5 | 30% | 0.299 | 46% | 0.455 | S | S | . | . | trans | -66.9 | 144.3 | 166.8 | -91.7 | -8.9 | 0 | 0 | 0 | 112.1 | E472 K473 E580 D581 | E472-D578 PolarHBondContact O-N 3.28Å; K473-D578 WeakPolarHBondContact CD-OD2 3.44Å; K473-D578 WeakPolarHBondContact CE-OD2 3.42Å; K473-D578 VanDerWaalsContact CG-OD2 3.27Å; K473-D578 WeakPolarHBondContact CG-OD2 3.48Å; K473-D578 IonicContact NZ-OD1 3.18Å; K473-D578 IonicContact NZ-OD2 3.99Å; K473-D578 PolarHBondContact NZ-OD2 3.24Å; D578-E580 PolarHBondContact O-N 3.44Å; D578-D581 PolarHBondContact O-N 3.01Å | ||
| 579 | V | 57.7 | Low | 64.5 | Low | 102 Ų | 102 | 89.3 Ų | 89.3 | 62% | 0.618 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -65.6 | -26.6 | -174.1 | -176.8 | 0 | 0 | 0 | 0 | 112.5 | I582 L583 | V579-I582 WeakPolarHBondContact O-CB 3.32Å; V579-I582 PolarHBondContact O-N 2.98Å; V579-L583 PolarHBondContact O-N 3.38Å; V579-L583 VanDerWaalsContact O-N 3.15Å |
| 580 | E | 50.1 | Low | 61.8 | Low | 142 Ų | 142 | 89.9 Ų | 89.9 | 66% | 0.664 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -71.2 | -34.9 | -178.3 | -58.3 | -174.3 | 166.9 | 0 | 0 | 112.9 | D578 I582 L583 S584 | D578-E580 PolarHBondContact O-N 3.44Å; E580-I582 VanDerWaalsContact C-N 3.29Å; E580-I582 PolarHBondContact O-N 3.02Å; E580-L583 PolarHBondContact O-N 2.52Å; E580-S584 PolarHBondContact O-N 2.76Å; E580-S584 VanDerWaalsContact O-N 3.09Å; E580-S584 PolarHBondContact O-OG 2.84Å |
| 581 | D | 49.9 | Very low | 59 | Low | 33 Ų | 33 | 88.4 Ų | 88.4 | 18% | 0.176 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -68.2 | -29.6 | 172.3 | -91.1 | -45.1 | 0 | 0 | 0 | 111 | N474 D578 S584 T585 | N474-D581 PolarHBondContact N-OD2 3Å; D578-D581 PolarHBondContact O-N 3.01Å; D581-S584 PolarHBondContact O-N 3.2Å; D581-T585 WeakPolarHBondContact O-CG2 3.5Å; D581-T585 PolarHBondContact O-N 2.82Å; D581-T585 PolarHBondContact O-OG1 2.96Å |
| 582 | I | 48.7 | Very low | 56.4 | Low | 88 Ų | 88 | 96.2 Ų | 96.2 | 45% | 0.451 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -70.9 | -36.1 | 175 | -56.3 | 175.5 | 0 | 0 | 0 | 111.4 | V579 E580 T585 | V579-I582 WeakPolarHBondContact O-CB 3.32Å; V579-I582 PolarHBondContact O-N 2.98Å; E580-I582 VanDerWaalsContact C-N 3.29Å; E580-I582 PolarHBondContact O-N 3.02Å; I582-T585 PolarHBondContact O-OG1 3.19Å |
| 583 | L | 39.7 | Very low | 53.9 | Low | 104 Ų | 104 | 95.7 Ų | 95.7 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.7 | -35.5 | 174.2 | -68.3 | 174.1 | 0 | 0 | 0 | 111.8 | V579 E580 T585 | V579-L583 PolarHBondContact O-N 3.38Å; V579-L583 VanDerWaalsContact O-N 3.15Å; E580-L583 PolarHBondContact O-N 2.52Å; L583-T585 VanDerWaalsContact C-N 3.28Å; L583-T585 PolarHBondContact O-N 3.31Å |
| 584 | S | 41 | Very low | 51.2 | Low | 93 Ų | 93 | 95 Ų | 95 | 65% | 0.65 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -73.3 | -13.9 | -180 | -57.6 | 0 | 0 | 0 | 0 | 114.3 | E580 D581 | E580-S584 PolarHBondContact O-N 2.76Å; E580-S584 VanDerWaalsContact O-N 3.09Å; E580-S584 PolarHBondContact O-OG 2.84Å; D581-S584 PolarHBondContact O-N 3.2Å |
| 585 | T | 43.6 | Very low | 49 | Very low | 82 Ų | 82 | 96.2 Ų | 96.2 | 50% | 0.503 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.7 | 11.3 | -176.8 | 40.6 | 0 | 0 | 0 | 0 | 114.5 | D581 I582 L583 H587 | D581-T585 WeakPolarHBondContact O-CG2 3.5Å; D581-T585 PolarHBondContact O-N 2.82Å; D581-T585 PolarHBondContact O-OG1 2.96Å; I582-T585 PolarHBondContact O-OG1 3.19Å; L583-T585 VanDerWaalsContact C-N 3.28Å; L583-T585 PolarHBondContact O-N 3.31Å; T585-H587 PolarHBondContact O-N 3.43Å |
| 586 | K | 40.2 | Very low | 46.3 | Very low | 157 Ų | 157 | 100.7 Ų | 100.7 | 68% | 0.683 | 55% | 0.548 | S | S | * | . | trans | -65.6 | -0.4 | 177.9 | -74.3 | -176.5 | 173.8 | 178.4 | 0 | 115.9 | ||||
| 587 | H | 35.8 | Very low | 43.6 | Very low | 188 Ų | 188 | 99.9 Ų | 99.9 | 87% | 0.87 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -108.1 | 76.9 | 169.4 | -72.6 | -65.7 | 0 | 0 | 0 | 111.7 | T585 | T585-H587 PolarHBondContact O-N 3.43Š|
| 588 | G | 27.6 | Very low | 41.3 | Very low | 58 Ų | 58 | 97 Ų | 97 | 60% | 0.598 | 55% | 0.545 | S | S | * | . | trans | 63.4 | 85 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 589 | I | 34 | Very low | 40.1 | Very low | 97 Ų | 97 | 94.8 Ų | 94.8 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | trans | -132.5 | 48.3 | 156 | -41.2 | -179.2 | 0 | 0 | 0 | 110.6 | S591 T594 | I589-S591 PolarHBondContact O-N 2.88Å; I589-T594 HydrophobicContact CG2-CG2 3.9Å | ||
| 590 | D | 31.8 | Very low | 39.4 | Very low | 171 Ų | 171 | 94.2 Ų | 94.2 | 91% | 0.914 | 52% | 0.524 | S | S | * | . | trans | -80.6 | 55.9 | 175.5 | -68.3 | -55.6 | 0 | 0 | 0 | 112.1 | ||||
| 591 | S | 32.7 | Very low | 38.8 | Very low | 49 Ų | 49 | 92.2 Ų | 92.2 | 34% | 0.343 | 51% | 0.513 | S | S | . | . | trans | -144.7 | 122.6 | 174.5 | -176.9 | 0 | 0 | 0 | 0 | 112.8 | I589 T593 T594 | I589-S591 PolarHBondContact O-N 2.88Å; S591-T593 PolarHBondContact O-N 3.22Å; S591-T593 PolarHBondContact OG-OG1 2.84Å; S591-T593 VanDerWaalsContact OG-OG1 3.04Å; S591-T594 PolarHBondContact O-N 2.93Å | ||
| 592 | L | 37.4 | Very low | 38.4 | Very low | 167 Ų | 167 | 94.5 Ų | 94.5 | 87% | 0.874 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -11.4 | -177 | -150.2 | 77.2 | 0 | 0 | 0 | 113.7 | T595 | L592-T595 PolarHBondContact O-OG1 3.08Š|
| 593 | T | 36.8 | Very low | 38.1 | Very low | 117 Ų | 117 | 91.6 Ų | 91.6 | 72% | 0.718 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -31 | 176.7 | 40.9 | 0 | 0 | 0 | 0 | 113.1 | S591 T595 | S591-T593 PolarHBondContact O-N 3.22Å; S591-T593 PolarHBondContact OG-OG1 2.84Å; S591-T593 VanDerWaalsContact OG-OG1 3.04Å; T593-T595 PolarHBondContact O-N 3.09Å |
| 594 | T | 35.5 | Very low | 38.2 | Very low | 75 Ų | 75 | 90.7 Ų | 90.7 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -27.9 | 177.6 | -50.3 | 0 | 0 | 0 | 0 | 111.8 | I589 S591 Q596 A598 | I589-T594 HydrophobicContact CG2-CG2 3.9Å; S591-T594 PolarHBondContact O-N 2.93Å; T594-Q596 VanDerWaalsContact C-N 3.33Å; T594-Q596 PolarHBondContact O-N 3.21Å; T594-A598 VanDerWaalsContact O-CB 3.31Å; T594-A598 WeakPolarHBondContact O-CB 3.34Å; T594-A598 PolarHBondContact O-N 3.41Å |
| 595 | T | 47.3 | Very low | 38.1 | Very low | 39 Ų | 39 | 87.4 Ų | 87.4 | 24% | 0.239 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -64.7 | -29.4 | -172.6 | 0.6 | 0 | 0 | 0 | 0 | 113.8 | L592 T593 A598 I599 | L592-T595 PolarHBondContact O-OG1 3.08Å; T593-T595 PolarHBondContact O-N 3.09Å; T595-A598 PolarHBondContact O-N 3.09Å; T595-I599 HydrophobicContact CG2-CD1 4.02Å; T595-I599 VanDerWaalsContact O-CB 3.29Å; T595-I599 WeakPolarHBondContact O-CB 3.32Å; T595-I599 WeakPolarHBondContact O-CD1 3.4Å; T595-I599 WeakPolarHBondContact O-CG1 3.43Å; T595-I599 PolarHBondContact O-N 3.36Å |
| 596 | Q | 38.2 | Very low | 37.4 | Very low | 127 Ų | 127 | 84.7 Ų | 84.7 | 59% | 0.593 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -72.9 | -48.9 | -169.9 | -153.5 | 169.7 | 1.1 | 0 | 0 | 112.8 | T594 A598 I599 Q600 | T594-Q596 VanDerWaalsContact C-N 3.33Å; T594-Q596 PolarHBondContact O-N 3.21Å; Q596-A598 VanDerWaalsContact C-N 3.33Å; Q596-I599 PolarHBondContact O-N 3.15Å; Q596-Q600 PolarHBondContact O-N 2.88Å |
| 597 | A | 33.9 | Very low | 37.3 | Very low | 72 Ų | 72 | 79.3 Ų | 79.3 | 60% | 0.595 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -67.5 | -34.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K601 | A597-K601 VanDerWaalsContact O-CB 3.31Å; A597-K601 WeakPolarHBondContact O-CB 3.37Å; A597-K601 PolarHBondContact O-N 3.47Å |
| 598 | A | 35.8 | Very low | 37.3 | Very low | 19 Ų | 19 | 75.8 Ų | 75.8 | 16% | 0.157 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | T594 T595 Q596 Q600 K601 Y602 | T594-A598 VanDerWaalsContact O-CB 3.31Å; T594-A598 WeakPolarHBondContact O-CB 3.34Å; T594-A598 PolarHBondContact O-N 3.41Å; T595-A598 PolarHBondContact O-N 3.09Å; Q596-A598 VanDerWaalsContact C-N 3.33Å; A598-Q600 PolarHBondContact O-N 3.43Å; A598-K601 CarbonylContact O-C 3.56Å; A598-K601 WeakPolarHBondContact O-CA 3.49Å; A598-K601 PolarHBondContact O-N 3.2Å; A598-K601 VanDerWaalsContact O-N 3.08Å; A598-Y602 HydrophobicContact CB-CD2 4.19Å; A598-Y602 HydrophobicContact CB-CE2 3.72Å; A598-Y602 WeakPolarHBondContact O-CB 3.44Å; A598-Y602 WeakPolarHBondContact O-CD2 3.39Å; A598-Y602 PolarHBondContact O-N 3.32Å |
| 599 | I | 45.3 | Very low | 37.7 | Very low | 10 Ų | 10 | 79.6 Ų | 79.6 | 5% | 0.051 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.1 | -43.9 | 178.2 | -74.6 | 156.4 | 0 | 0 | 0 | 111.1 | H520 T595 Q596 K601 Y602 W603 | H520-I599 HydrophobicContact CB-CD1 3.86Å; T595-I599 HydrophobicContact CG2-CD1 4.02Å; T595-I599 VanDerWaalsContact O-CB 3.29Å; T595-I599 WeakPolarHBondContact O-CB 3.32Å; T595-I599 WeakPolarHBondContact O-CD1 3.4Å; T595-I599 WeakPolarHBondContact O-CG1 3.43Å; T595-I599 PolarHBondContact O-N 3.36Å; Q596-I599 PolarHBondContact O-N 3.15Å; I599-K601 VanDerWaalsContact C-N 3.3Å; I599-K601 PolarHBondContact O-N 2.82Å; I599-Y602 PolarHBondContact O-N 3.47Å; I599-Y602 VanDerWaalsContact O-N 3.15Å; I599-W603 WeakPolarHBondContact O-CB 3.44Å; I599-W603 PolarHBondContact O-N 3Å |
| 600 | Q | 41.7 | Very low | 37.6 | Very low | 90 Ų | 90 | 80.8 Ų | 80.8 | 42% | 0.421 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 173.1 | -69.8 | -177.8 | -10.8 | 0 | 0 | 111.5 | S517 Q596 A598 Y602 I604 | S517-Q600 PolarHBondContact O-NE2 3.04Å; Q596-Q600 PolarHBondContact O-N 2.88Å; A598-Q600 PolarHBondContact O-N 3.43Å; Q600-Y602 VanDerWaalsContact C-N 3.31Å; Q600-Y602 PolarHBondContact O-N 3.04Å; Q600-I604 VanDerWaalsContact O-CB 3.23Å; Q600-I604 WeakPolarHBondContact O-CB 3.5Å; Q600-I604 WeakPolarHBondContact O-CG1 3.08Å; Q600-I604 PolarHBondContact O-N 3.24Å |
| 601 | K | 37.3 | Very low | 37.6 | Very low | 101 Ų | 101 | 78.6 Ų | 78.6 | 44% | 0.439 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -74.6 | -9.3 | 176.3 | -169.3 | 175.2 | 177.9 | -177.3 | 0 | 114.9 | A597 A598 I599 I604 | A597-K601 VanDerWaalsContact O-CB 3.31Å; A597-K601 WeakPolarHBondContact O-CB 3.37Å; A597-K601 PolarHBondContact O-N 3.47Å; A598-K601 CarbonylContact O-C 3.56Å; A598-K601 WeakPolarHBondContact O-CA 3.49Å; A598-K601 PolarHBondContact O-N 3.2Å; A598-K601 VanDerWaalsContact O-N 3.08Å; I599-K601 VanDerWaalsContact C-N 3.3Å; I599-K601 PolarHBondContact O-N 2.82Å; K601-I604 CarbonylContact C-O 3.49Å; K601-I604 VanDerWaalsContact O-O 3.05Å |
| 602 | Y | 42.3 | Very low | 37.4 | Very low | 81 Ų | 81 | 83.9 Ų | 83.9 | 32% | 0.318 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -107.3 | -31.5 | 176.4 | -61.5 | -32.6 | 0 | 0 | 0 | 112.5 | A598 I599 Q600 | A598-Y602 HydrophobicContact CB-CD2 4.19Å; A598-Y602 HydrophobicContact CB-CE2 3.72Å; A598-Y602 WeakPolarHBondContact O-CB 3.44Å; A598-Y602 WeakPolarHBondContact O-CD2 3.39Å; A598-Y602 PolarHBondContact O-N 3.32Å; I599-Y602 PolarHBondContact O-N 3.47Å; I599-Y602 VanDerWaalsContact O-N 3.15Å; Q600-Y602 VanDerWaalsContact C-N 3.31Å; Q600-Y602 PolarHBondContact O-N 3.04Å |
| 603 | W | 42 | Very low | 37 | Very low | 26 Ų | 26 | 82.7 Ų | 82.7 | 10% | 0.098 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -70.5 | -49 | 167.5 | -107.1 | 64.8 | 0 | 0 | 0 | 111.5 | V87 D305 V306 L479 L515 I599 K605 | V87-W603 HydrophobicContact CG1-CZ3 3.97Å; V87-W603 HydrophobicContact CG2-CE3 4.3Å; V87-W603 HydrophobicContact CG2-CZ3 3.94Å; D305-W603 HydrophobicContact CB-CH2 4.3Å; D305-W603 HydrophobicContact CB-CZ3 4.39Å; V306-W603 HydrophobicContact CG2-CH2 3.82Å; V306-W603 HydrophobicContact CG2-CZ3 4.41Å; L479-W603 HydrophobicContact CB-CZ2 4.45Å; L515-W603 HydrophobicContact CD1-CZ2 4.49Å; L515-W603 HydrophobicContact CD2-CH2 3.78Å; L515-W603 HydrophobicContact CD2-CZ2 3.19Å; L515-W603 HydrophobicContact CG-CD2 4.08Å; L515-W603 HydrophobicContact CG-CE3 4.48Å; L515-W603 HydrophobicContact CG-CH2 4.02Å; L515-W603 HydrophobicContact CG-CZ2 3.55Å; L515-W603 HydrophobicContact CG-CZ3 4.44Å; I599-W603 WeakPolarHBondContact O-CB 3.44Å; I599-W603 PolarHBondContact O-N 3Å; W603-K605 PolarHBondContact O-N 2.97Å; W603-K605 VanDerWaalsContact O-N 3.1Å |
| 604 | I | 42.3 | Very low | 36.5 | Very low | 86 Ų | 86 | 85.8 Ų | 85.8 | 44% | 0.441 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -78.7 | 95.6 | 167.7 | -52.8 | 170.6 | 0 | 0 | 0 | 106.1 | Q600 K601 | Q600-I604 VanDerWaalsContact O-CB 3.23Å; Q600-I604 WeakPolarHBondContact O-CB 3.5Å; Q600-I604 WeakPolarHBondContact O-CG1 3.08Å; Q600-I604 PolarHBondContact O-N 3.24Å; K601-I604 CarbonylContact C-O 3.49Å; K601-I604 VanDerWaalsContact O-O 3.05Å |
| 605 | K | 38.2 | Very low | 36.2 | Very low | 23 Ų | 23 | 91.6 Ų | 91.6 | 10% | 0.1 | 43% | 0.428 | C | S | . | . | trans | -37.7 | 132.8 | -172.7 | -62.4 | 178.6 | 177.9 | 61.8 | 0 | 112.1 | D305 W603 E607 H608 | D305-K605 IonicContact OD1-NZ 2.77Å; D305-K605 PolarHBondContact OD1-NZ 2.87Å; D305-K605 IonicContact OD2-NZ 3.28Å; W603-K605 PolarHBondContact O-N 2.97Å; W603-K605 VanDerWaalsContact O-N 3.1Å; K605-E607 HydrophobicContact CB-CB 4.17Å; K605-E607 HydrophobicContact CB-CG 4.5Å; K605-E607 PolarHBondContact O-N 2.84Å; K605-H608 PolarHBondContact O-N 2.87Å | ||
| 606 | P | 29.9 | Very low | 35.5 | Very low | 25 Ų | 25 | 95.7 Ų | 95.7 | 16% | 0.162 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.7 | -29.3 | 174.4 | -28.9 | 35.7 | 0 | 0 | 0 | 113.5 | H608 Y609 E610 | P606-H608 PolarHBondContact O-N 3.5Å; P606-H608 VanDerWaalsContact O-N 3.08Å; P606-Y609 PolarHBondContact O-N 3.44Å; P606-E610 PolarHBondContact O-N 2.96Å |
| 607 | E | 36.7 | Very low | 36 | Very low | 45 Ų | 45 | 91.8 Ų | 91.8 | 21% | 0.21 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -48.7 | -30.2 | 169.6 | -60.1 | 176.4 | -106.9 | 0 | 0 | 113.7 | K605 Q611 | K605-E607 HydrophobicContact CB-CB 4.17Å; K605-E607 HydrophobicContact CB-CG 4.5Å; K605-E607 PolarHBondContact O-N 2.84Å; E607-Q611 VanDerWaalsContact O-CB 3.24Å; E607-Q611 WeakPolarHBondContact O-CB 3.37Å; E607-Q611 WeakPolarHBondContact O-CG 3.34Å; E607-Q611 PolarHBondContact O-NE2 3.21Å; E607-Q611 PolarHBondContact O-OE1 2.97Å |
| 608 | H | 37.5 | Very low | 36.5 | Very low | 114 Ų | 114 | 92.5 Ų | 92.5 | 53% | 0.528 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -97.9 | -0.5 | 178.8 | -61.7 | -31.6 | 0 | 0 | 0 | 114.3 | K605 P606 | K605-H608 PolarHBondContact O-N 2.87Å; P606-H608 PolarHBondContact O-N 3.5Å; P606-H608 VanDerWaalsContact O-N 3.08Å |
| 609 | Y | 34.4 | Very low | 37.4 | Very low | 138 Ų | 138 | 93.6 Ų | 93.6 | 54% | 0.541 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -107.3 | -35.2 | 173.7 | -147.1 | -85.1 | 0 | 0 | 0 | 112 | P606 | P606-Y609 PolarHBondContact O-N 3.44Å |
| 610 | E | 32 | Very low | 38.3 | Very low | 122 Ų | 122 | 95.2 Ų | 95.2 | 57% | 0.57 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -82.3 | -23.9 | 178.3 | -69.7 | 169.4 | -177.9 | 0 | 0 | 112.5 | P606 R612 N613 | P606-E610 PolarHBondContact O-N 2.96Å; E610-R612 PolarHBondContact O-N 3.48Å; E610-N613 PolarHBondContact O-N 3.07Å |
| 611 | Q | 32 | Very low | 39.2 | Very low | 125 Ų | 125 | 94.9 Ų | 94.9 | 58% | 0.584 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | 5.2 | 174.1 | -82.9 | 173.4 | 5.3 | 0 | 0 | 115.3 | E607 | E607-Q611 VanDerWaalsContact O-CB 3.24Å; E607-Q611 WeakPolarHBondContact O-CB 3.37Å; E607-Q611 WeakPolarHBondContact O-CG 3.34Å; E607-Q611 PolarHBondContact O-NE2 3.21Å; E607-Q611 PolarHBondContact O-OE1 2.97Å |
| 612 | R | 29.2 | Very low | 40.5 | Very low | 160 Ų | 160 | 93.4 Ų | 93.4 | 60% | 0.604 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -13.2 | 172.7 | -76.4 | -172 | 167.2 | -156.3 | -10 | 114.4 | E610 | E610-R612 PolarHBondContact O-N 3.48Š|
| 613 | N | 27.9 | Very low | 42.2 | Very low | 142 Ų | 142 | 89.7 Ų | 89.7 | 76% | 0.759 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -119.8 | 9.1 | -176.7 | -78.8 | 3.5 | 0 | 0 | 0 | 115.6 | E610 | E610-N613 PolarHBondContact O-N 3.07Š|
| 614 | F | 27.9 | Very low | 43.8 | Very low | 182 Ų | 182 | 89.5 Ų | 89.5 | 80% | 0.798 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -126.9 | 107.1 | 171 | -91.3 | -89.8 | 0 | 0 | 0 | 110.5 | L616 | F614-L616 PolarHBondContact O-N 3.38Å; F614-L616 VanDerWaalsContact O-N 3.12Å |
| 615 | Y | 28.8 | Very low | 44.9 | Very low | 197 Ų | 197 | 90.8 Ų | 90.8 | 77% | 0.773 | 43% | 0.427 | S | S | * | . | trans | -82.9 | 86 | -172.6 | -82.4 | -92.5 | 0 | 0 | 0 | 112.8 | ||||
| 616 | L | 32.6 | Very low | 47.1 | Very low | 124 Ų | 124 | 90.9 Ų | 90.9 | 65% | 0.649 | 43% | 0.427 | S | S | * | . | trans | -120.4 | 134.9 | 144.5 | -75 | 176.2 | 0 | 0 | 0 | 107.8 | F614 | F614-L616 PolarHBondContact O-N 3.38Å; F614-L616 VanDerWaalsContact O-N 3.12Å | ||
| 617 | N | 48.6 | Very low | 49.7 | Very low | 45 Ų | 45 | 89.7 Ų | 89.7 | 24% | 0.241 | 42% | 0.419 | C | S | . | . | trans | -72.9 | 137.1 | -160.6 | -173.8 | -47.3 | 0 | 0 | 0 | 111.2 | V619 E620 N621 E1636 | N617-V619 PolarHBondContact O-N 3.31Å; N617-V619 VanDerWaalsContact O-N 3.11Å; N617-V619 VanDerWaalsContact OD1-CB 3.25Å; N617-V619 WeakPolarHBondContact OD1-CB 3.04Å; N617-V619 WeakPolarHBondContact OD1-CG2 3.45Å; N617-V619 PolarHBondContact OD1-N 2.91Å; N617-E620 HydrophobicContact CB-CG 3.96Å; N617-E620 PolarHBondContact N-OE2 3.37Å; N617-E620 WeakPolarHBondContact O-CB 3.45Å; N617-E620 PolarHBondContact O-N 2.99Å; N617-N621 PolarHBondContact O-N 3.35Å; N617-E1636 PolarHBondContact ND2-OE1 2.64Å; N617-E1636 PolarHBondContact OD1-OE2 3.3Å | ||
| 618 | P | 44.2 | Very low | 51.8 | Low | 88 Ų | 88 | 90.6 Ų | 90.6 | 57% | 0.571 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -56.4 | -24.2 | 175.2 | 22.1 | -34.3 | 0 | 0 | 0 | 114.5 | T622 | P618-T622 WeakPolarHBondContact O-CB 3.48Å; P618-T622 PolarHBondContact O-N 3.01Å; P618-T622 PolarHBondContact O-OG1 2.99Å |
| 619 | V | 55.8 | Low | 53.4 | Low | 41 Ų | 41 | 87.7 Ų | 87.7 | 25% | 0.248 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 169.3 | 177.3 | 0 | 0 | 0 | 0 | 111 | N617 T622 L623 Y759 E1636 | N617-V619 PolarHBondContact O-N 3.31Å; N617-V619 VanDerWaalsContact O-N 3.11Å; N617-V619 VanDerWaalsContact OD1-CB 3.25Å; N617-V619 WeakPolarHBondContact OD1-CB 3.04Å; N617-V619 WeakPolarHBondContact OD1-CG2 3.45Å; N617-V619 PolarHBondContact OD1-N 2.91Å; V619-T622 WeakPolarHBondContact O-CB 3.29Å; V619-T622 PolarHBondContact O-N 2.9Å; V619-T622 VanDerWaalsContact O-N 3.13Å; V619-L623 WeakPolarHBondContact O-CB 3.25Å; V619-L623 PolarHBondContact O-N 3.23Å; V619-Y759 HydrophobicContact CG1-CD2 3.98Å; V619-Y759 HydrophobicContact CG1-CE2 3.8Å; V619-E1636 WeakPolarHBondContact CG2-OE2 3.33Å |
| 620 | E | 63.2 | Low | 55.7 | Low | 44 Ų | 44 | 83.5 Ų | 83.5 | 21% | 0.206 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.3 | -44.8 | -177.5 | -65.1 | 165.7 | 159.9 | 0 | 0 | 111.6 | N617 T622 L623 I624 L646 | N617-E620 HydrophobicContact CB-CG 3.96Å; N617-E620 PolarHBondContact N-OE2 3.37Å; N617-E620 WeakPolarHBondContact O-CB 3.45Å; N617-E620 PolarHBondContact O-N 2.99Å; E620-T622 VanDerWaalsContact C-N 3.25Å; E620-T622 PolarHBondContact O-N 2.82Å; E620-L623 WeakPolarHBondContact O-CB 3.18Å; E620-L623 PolarHBondContact O-N 2.81Å; E620-L623 VanDerWaalsContact O-N 3.11Å; E620-I624 WeakPolarHBondContact O-CG1 3.31Å; E620-I624 PolarHBondContact O-N 3.39Å; E620-L646 HydrophobicContact CB-CD1 3.94Å; E620-L646 HydrophobicContact CG-CD1 4.03Å |
| 621 | N | 60.5 | Low | 58.3 | Low | 84 Ų | 84 | 77.9 Ų | 77.9 | 45% | 0.449 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.5 | -33.9 | 174.1 | -94.8 | -67 | 0 | 0 | 0 | 112.6 | N617 R625 | N617-N621 PolarHBondContact O-N 3.35Å; N621-R625 VanDerWaalsContact O-CB 3.29Å; N621-R625 WeakPolarHBondContact O-CB 3.41Å; N621-R625 PolarHBondContact O-N 3.23Å |
| 622 | T | 65.7 | Low | 60.3 | Low | 69 Ų | 69 | 73 Ų | 73 | 42% | 0.423 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -69.8 | -39.9 | 173.8 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | P618 V619 E620 W626 | P618-T622 WeakPolarHBondContact O-CB 3.48Å; P618-T622 PolarHBondContact O-N 3.01Å; P618-T622 PolarHBondContact O-OG1 2.99Å; V619-T622 WeakPolarHBondContact O-CB 3.29Å; V619-T622 PolarHBondContact O-N 2.9Å; V619-T622 VanDerWaalsContact O-N 3.13Å; E620-T622 VanDerWaalsContact C-N 3.25Å; E620-T622 PolarHBondContact O-N 2.82Å; T622-W626 PolarHBondContact O-N 3.33Å |
| 623 | L | 76.5 | Confident | 62.4 | Low | 3 Ų | 3 | 67.3 Ų | 67.3 | 2% | 0.016 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.3 | -48.9 | -178.3 | -176.1 | 55.9 | 0 | 0 | 0 | 112.4 | V619 E620 R625 W626 F627 L646 L758 Y759 Y762 | V619-L623 WeakPolarHBondContact O-CB 3.25Å; V619-L623 PolarHBondContact O-N 3.23Å; E620-L623 WeakPolarHBondContact O-CB 3.18Å; E620-L623 PolarHBondContact O-N 2.81Å; E620-L623 VanDerWaalsContact O-N 3.11Å; L623-R625 VanDerWaalsContact C-N 3.31Å; L623-R625 PolarHBondContact O-N 3.15Å; L623-W626 WeakPolarHBondContact O-CB 3.47Å; L623-W626 PolarHBondContact O-N 2.93Å; L623-W626 VanDerWaalsContact O-N 3.12Å; L623-F627 HydrophobicContact CD1-CD2 4.07Å; L623-F627 HydrophobicContact CD1-CE2 3.4Å; L623-F627 HydrophobicContact CD1-CZ 4.03Å; L623-F627 HydrophobicContact CD2-CE2 4.43Å; L623-F627 HydrophobicContact CG-CD2 4.16Å; L623-F627 HydrophobicContact CG-CE2 3.66Å; L623-F627 VanDerWaalsContact O-CD2 3.23Å; L623-F627 WeakPolarHBondContact O-CD2 3.38Å; L623-F627 PolarHBondContact O-N 2.94Å; L623-L646 HydrophobicContact CB-CD1 4.37Å; L623-L646 HydrophobicContact CD2-CD1 3.79Å; L623-L646 HydrophobicContact CD2-CD2 4.25Å; L623-L646 HydrophobicContact CG-CD1 4.19Å; L623-L646 HydrophobicContact CG-CD2 4.02Å; L623-L758 HydrophobicContact CD2-CB 4.43Å; L623-Y759 HydrophobicContact CD2-CD2 4.49Å; L623-Y762 HydrophobicContact CD1-CD1 4.31Å; L623-Y762 HydrophobicContact CD1-CD2 3.97Å; L623-Y762 HydrophobicContact CD1-CG 3.63Å |
| 624 | I | 76.1 | Confident | 65 | Low | 22 Ų | 22 | 61.6 Ų | 61.6 | 11% | 0.113 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -54.5 | -50 | 173.7 | -65.8 | 164.4 | 0 | 0 | 0 | 110 | E620 W626 F627 Q628 L646 | E620-I624 WeakPolarHBondContact O-CG1 3.31Å; E620-I624 PolarHBondContact O-N 3.39Å; I624-W626 VanDerWaalsContact C-N 3.26Å; I624-W626 PolarHBondContact O-N 2.95Å; I624-F627 PolarHBondContact O-N 2.95Å; I624-F627 VanDerWaalsContact O-N 3.14Å; I624-Q628 HydrophobicContact CG2-CG 4.28Å; I624-Q628 WeakPolarHBondContact O-CG 2.85Å; I624-Q628 PolarHBondContact O-N 3.21Å; I624-L646 HydrophobicContact CD1-CG 4.16Å; I624-L646 HydrophobicContact CG1-CD1 4.2Å; I624-L646 HydrophobicContact CG1-CD2 3.63Å; I624-L646 HydrophobicContact CG1-CG 3.55Å |
| 625 | R | 66.5 | Low | 67.2 | Low | 114 Ų | 114 | 56.2 Ų | 56.2 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.2 | -33.7 | -179 | -168.7 | 169.7 | -179.3 | 156 | -2.8 | 111.8 | N301 N621 L623 I629 | N301-R625 PolarHBondContact O-NH2 2.88Å; N621-R625 VanDerWaalsContact O-CB 3.29Å; N621-R625 WeakPolarHBondContact O-CB 3.41Å; N621-R625 PolarHBondContact O-N 3.23Å; L623-R625 VanDerWaalsContact C-N 3.31Å; L623-R625 PolarHBondContact O-N 3.15Å; R625-I629 HydrophobicContact CG-CD1 4.13Å; R625-I629 VanDerWaalsContact O-CB 3.25Å; R625-I629 WeakPolarHBondContact O-CB 3.47Å; R625-I629 VanDerWaalsContact O-CD1 3.29Å; R625-I629 WeakPolarHBondContact O-CD1 3.27Å; R625-I629 WeakPolarHBondContact O-CG1 3.33Å; R625-I629 PolarHBondContact O-N 3.07Å |
| 626 | W | 83.2 | Confident | 69.3 | Low | 25 Ų | 25 | 53.4 Ų | 53.4 | 10% | 0.095 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67.7 | -42.9 | 173.8 | -176.2 | 99.5 | 0 | 0 | 0 | 112.6 | T622 L623 I624 I629 R630 L660 Y664 Y762 F765 | T622-W626 PolarHBondContact O-N 3.33Å; L623-W626 WeakPolarHBondContact O-CB 3.47Å; L623-W626 PolarHBondContact O-N 2.93Å; L623-W626 VanDerWaalsContact O-N 3.12Å; I624-W626 VanDerWaalsContact C-N 3.26Å; I624-W626 PolarHBondContact O-N 2.95Å; W626-I629 WeakPolarHBondContact O-CA 3.17Å; W626-I629 WeakPolarHBondContact O-CB 3.35Å; W626-I629 PolarHBondContact O-N 3.33Å; W626-I629 VanDerWaalsContact O-N 3.15Å; W626-R630 HydrophobicContact CD2-CG 4.04Å; W626-R630 HydrophobicContact CE3-CG 4.16Å; W626-R630 HydrophobicContact CH2-CG 3.96Å; W626-R630 HydrophobicContact CZ2-CG 3.88Å; W626-R630 HydrophobicContact CZ3-CG 4.1Å; W626-R630 PolarHBondContact O-N 3.36Å; W626-L660 HydrophobicContact CH2-CD1 4.06Å; W626-L660 HydrophobicContact CH2-CD2 4.5Å; W626-L660 HydrophobicContact CZ3-CD1 3.99Å; W626-L660 HydrophobicContact CZ3-CD2 4.19Å; W626-Y664 HydrophobicContact CH2-CE2 4.32Å; W626-Y664 HydrophobicContact CZ2-CE2 4.42Å; W626-Y664 VanDerWaalsContact CZ2-OH 3.29Å; W626-Y664 WeakPolarHBondContact CZ2-OH 3.34Å; W626-Y762 HydrophobicContact CB-CD2 4.06Å; W626-Y762 HydrophobicContact CB-CE2 4.11Å; W626-Y762 AromaticContact CD1-CD2 3.76Å; W626-Y762 AromaticContact CD1-CE2 3.55Å; W626-Y762 AromaticContact CD2-CD2 3.6Å; W626-Y762 HydrophobicContact CD2-CD2 3.6Å; W626-Y762 HydrophobicContact CD2-CE2 4.2Å; W626-Y762 AromaticContact CE2-CD2 3.82Å; W626-Y762 HydrophobicContact CE3-CD2 4.11Å; W626-Y762 AromaticContact CG-CD2 3.56Å; W626-Y762 HydrophobicContact CG-CD2 3.56Å; W626-Y762 AromaticContact CG-CE2 3.71Å; W626-Y762 HydrophobicContact CG-CE2 3.71Å; W626-Y762 AromaticContact NE1-CD2 3.88Å; W626-Y762 AromaticContact NE1-CE2 3.89Å; W626-F765 HydrophobicContact CH2-CB 3.53Å; W626-F765 HydrophobicContact CH2-CG 4.45Å; W626-F765 HydrophobicContact CZ2-CB 3.84Å |
| 627 | F | 84.9 | Confident | 71.2 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.9 | -48.5 | 176.4 | -73.8 | -64.3 | 0 | 0 | 0 | 111.9 | L623 I624 I629 R630 L631 V643 L646 W651 L660 L758 I761 | L623-F627 HydrophobicContact CD1-CD2 4.07Å; L623-F627 HydrophobicContact CD1-CE2 3.4Å; L623-F627 HydrophobicContact CD1-CZ 4.03Å; L623-F627 HydrophobicContact CD2-CE2 4.43Å; L623-F627 HydrophobicContact CG-CD2 4.16Å; L623-F627 HydrophobicContact CG-CE2 3.66Å; L623-F627 VanDerWaalsContact O-CD2 3.23Å; L623-F627 WeakPolarHBondContact O-CD2 3.38Å; L623-F627 PolarHBondContact O-N 2.94Å; I624-F627 PolarHBondContact O-N 2.95Å; I624-F627 VanDerWaalsContact O-N 3.14Å; F627-I629 PolarHBondContact O-N 2.83Å; F627-R630 PolarHBondContact O-N 3.46Å; F627-R630 VanDerWaalsContact O-N 3.07Å; F627-L631 WeakPolarHBondContact O-CB 3.08Å; F627-L631 PolarHBondContact O-N 2.97Å; F627-V643 HydrophobicContact CB-CG1 4.27Å; F627-L646 HydrophobicContact CD2-CD2 4.1Å; F627-L646 HydrophobicContact CE2-CD2 4.16Å; F627-W651 HydrophobicContact CB-CH2 3.92Å; F627-W651 HydrophobicContact CB-CZ2 4.19Å; F627-W651 AromaticContact CD1-CH2 3.38Å; F627-W651 HydrophobicContact CD1-CH2 3.38Å; F627-W651 HydrophobicContact CD1-CZ2 4.12Å; F627-W651 HydrophobicContact CD1-CZ3 4.17Å; F627-W651 HydrophobicContact CD2-CH2 4.01Å; F627-W651 AromaticContact CD2-CZ2 3.88Å; F627-W651 HydrophobicContact CD2-CZ2 3.88Å; F627-W651 AromaticContact CE1-CH2 3.79Å; F627-W651 HydrophobicContact CE1-CH2 3.79Å; F627-W651 HydrophobicContact CE1-CZ2 4.46Å; F627-W651 HydrophobicContact CE1-CZ3 4.29Å; F627-W651 HydrophobicContact CE2-CH2 4.36Å; F627-W651 HydrophobicContact CE2-CZ2 4.24Å; F627-W651 AromaticContact CG-CH2 3.51Å; F627-W651 HydrophobicContact CG-CH2 3.51Å; F627-W651 AromaticContact CG-CZ2 3.81Å; F627-W651 HydrophobicContact CG-CZ2 3.81Å; F627-W651 HydrophobicContact CZ-CH2 4.27Å; F627-L660 HydrophobicContact CD1-CD2 4.06Å; F627-L660 HydrophobicContact CE1-CD2 3.7Å; F627-L758 HydrophobicContact CE1-CD2 4.25Å; F627-L758 HydrophobicContact CE2-CB 3.83Å; F627-L758 HydrophobicContact CE2-CD2 4.05Å; F627-L758 HydrophobicContact CE2-CG 4.38Å; F627-L758 HydrophobicContact CZ-CB 3.8Å; F627-L758 HydrophobicContact CZ-CD2 3.65Å; F627-L758 HydrophobicContact CZ-CG 4.29Å; F627-I761 HydrophobicContact CE1-CG2 4.28Å |
| 628 | Q | 81 | Confident | 72.4 | Confident | 64 Ų | 64 | 52.1 Ų | 52.1 | 30% | 0.299 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -51.7 | -38.5 | 170.6 | -70.2 | -178.3 | -17 | 0 | 0 | 111.5 | I624 S632 V643 | I624-Q628 HydrophobicContact CG2-CG 4.28Å; I624-Q628 WeakPolarHBondContact O-CG 2.85Å; I624-Q628 PolarHBondContact O-N 3.21Å; Q628-S632 PolarHBondContact O-N 2.86Å; Q628-V643 VanDerWaalsContact CG-O 3.22Å; Q628-V643 WeakPolarHBondContact CG-O 3.37Å; Q628-V643 PolarHBondContact NE2-O 2.83Å |
| 629 | I | 70.4 | Confident | 73.8 | Confident | 52 Ų | 52 | 51.3 Ų | 51.3 | 27% | 0.267 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.7 | -41.3 | 178.7 | -81.7 | 165.1 | 0 | 0 | 0 | 113 | F297 R625 W626 F627 S632 | F297-I629 HydrophobicContact CE1-CB 3.9Å; F297-I629 HydrophobicContact CE1-CG1 3.67Å; F297-I629 HydrophobicContact CE1-CG2 4.05Å; F297-I629 WeakPolarHBondContact CE1-O 3.36Å; F297-I629 HydrophobicContact CZ-CB 4.49Å; F297-I629 HydrophobicContact CZ-CG1 4.09Å; R625-I629 HydrophobicContact CG-CD1 4.13Å; R625-I629 VanDerWaalsContact O-CB 3.25Å; R625-I629 WeakPolarHBondContact O-CB 3.47Å; R625-I629 VanDerWaalsContact O-CD1 3.29Å; R625-I629 WeakPolarHBondContact O-CD1 3.27Å; R625-I629 WeakPolarHBondContact O-CG1 3.33Å; R625-I629 PolarHBondContact O-N 3.07Å; W626-I629 WeakPolarHBondContact O-CA 3.17Å; W626-I629 WeakPolarHBondContact O-CB 3.35Å; W626-I629 PolarHBondContact O-N 3.33Å; W626-I629 VanDerWaalsContact O-N 3.15Å; F627-I629 PolarHBondContact O-N 2.83Å; I629-S632 PolarHBondContact O-OG 2.98Å |
| 630 | R | 83.2 | Confident | 75 | Confident | 51 Ų | 51 | 49.9 Ų | 49.9 | 19% | 0.192 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -80.6 | -32.5 | -176.8 | -67.2 | -54.2 | -168.9 | -128.4 | 6.8 | 113.4 | W626 F627 L660 Y664 | W626-R630 HydrophobicContact CD2-CG 4.04Å; W626-R630 HydrophobicContact CE3-CG 4.16Å; W626-R630 HydrophobicContact CH2-CG 3.96Å; W626-R630 HydrophobicContact CZ2-CG 3.88Å; W626-R630 HydrophobicContact CZ3-CG 4.1Å; W626-R630 PolarHBondContact O-N 3.36Å; F627-R630 PolarHBondContact O-N 3.46Å; F627-R630 VanDerWaalsContact O-N 3.07Å; R630-L660 HydrophobicContact CB-CD1 3.72Å; R630-L660 HydrophobicContact CG-CD1 4.34Å; R630-Y664 HydrophobicContact CG-CE2 4.16Å; R630-Y664 PolarHBondContact NE-OH 2.99Å; R630-Y664 PolarHBondContact NH2-OH 3.46Å |
| 631 | L | 85.2 | Confident | 75.6 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.016 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -90.3 | -9.8 | -175 | -70.8 | 173.8 | 0 | 0 | 0 | 114.1 | F627 S633 Y634 L635 I640 V643 W651 N656 C659 L660 | F627-L631 WeakPolarHBondContact O-CB 3.08Å; F627-L631 PolarHBondContact O-N 2.97Å; L631-S633 PolarHBondContact O-N 2.74Å; L631-Y634 HydrophobicContact CD2-CD2 4.21Å; L631-Y634 PolarHBondContact O-N 3.27Å; L631-L635 PolarHBondContact O-N 2.52Å; L631-I640 HydrophobicContact CB-CD1 3.65Å; L631-I640 HydrophobicContact CD1-CD1 4.41Å; L631-I640 HydrophobicContact CD2-CD1 4.26Å; L631-I640 HydrophobicContact CG-CD1 4.33Å; L631-V643 HydrophobicContact CD1-CG2 3.92Å; L631-W651 HydrophobicContact CD1-CH2 4.12Å; L631-W651 HydrophobicContact CD1-CZ3 4.34Å; L631-N656 HydrophobicContact CD1-CB 4.13Å; L631-C659 HydrophobicContact CD2-CB 3.7Å; L631-L660 HydrophobicContact CD2-CB 4.07Å |
| 632 | S | 74.2 | Confident | 76.2 | Confident | 22 Ų | 22 | 51 Ų | 51 | 15% | 0.154 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -47.7 | -35.6 | -178.2 | 58.1 | 0 | 0 | 0 | 0 | 115.3 | Q628 I629 Y634 N636 | Q628-S632 PolarHBondContact O-N 2.86Å; I629-S632 PolarHBondContact O-OG 2.98Å; S632-Y634 VanDerWaalsContact C-N 3.32Å; S632-Y634 PolarHBondContact O-N 3.14Å; S632-N636 WeakPolarHBondContact O-CB 3.26Å; S632-N636 VanDerWaalsContact O-CG 3.24Å; S632-N636 PolarHBondContact O-N 3.26Å; S632-N636 VanDerWaalsContact O-N 3.07Å; S632-N636 PolarHBondContact O-OD1 3.1Å |
| 633 | S | 74 | Confident | 76.8 | Confident | 42 Ų | 42 | 48 Ų | 48 | 29% | 0.294 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -69.4 | -24.6 | 178.2 | 48.8 | 0 | 0 | 0 | 0 | 114.4 | L631 C637 | L631-S633 PolarHBondContact O-N 2.74Å; S633-C637 PolarHBondContact O-SG 3.44Å; S633-C637 VanDerWaalsContact O-SG 3.34Å |
| 634 | Y | 81.5 | Confident | 76.8 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 9% | 0.086 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -89.9 | -34.6 | 177.7 | -55.4 | -81.8 | 0 | 0 | 0 | 111.1 | L631 S632 C637 G638 F639 C659 H662 R663 L672 | L631-Y634 HydrophobicContact CD2-CD2 4.21Å; L631-Y634 PolarHBondContact O-N 3.27Å; S632-Y634 VanDerWaalsContact C-N 3.32Å; S632-Y634 PolarHBondContact O-N 3.14Å; Y634-C637 CarbonylContact O-C 3.58Å; Y634-C637 PolarHBondContact O-N 3.17Å; Y634-C637 VanDerWaalsContact O-N 3.15Å; Y634-G638 PolarHBondContact O-N 3.21Å; Y634-F639 HydrophobicContact CD1-CD2 4.34Å; Y634-F639 PolarHBondContact O-N 2.91Å; Y634-C659 HydrophobicContact CD1-CB 4.07Å; Y634-C659 HydrophobicContact CD2-CB 3.76Å; Y634-C659 HydrophobicContact CE1-CB 4.44Å; Y634-C659 HydrophobicContact CE2-CB 4.14Å; Y634-C659 VanDerWaalsContact CE2-O 3.32Å; Y634-C659 WeakPolarHBondContact CE2-O 3.39Å; Y634-C659 HydrophobicContact CG-CB 3.73Å; Y634-H662 AromaticContact CE1-ND1 3.56Å; Y634-H662 AromaticContact CZ-ND1 3.72Å; Y634-H662 PolarHBondContact OH-ND1 3.29Å; Y634-H662 VanDerWaalsContact OH-ND1 3.12Å; Y634-R663 HydrophobicContact CE2-CB 3.92Å; Y634-R663 HydrophobicContact CE2-CG 4.25Å; Y634-R663 VanDerWaalsContact OH-CA 3.26Å; Y634-R663 WeakPolarHBondContact OH-CA 3.48Å; Y634-R663 PolarHBondContact OH-N 3.48Å; Y634-L672 HydrophobicContact CD1-CD2 4.29Å; Y634-L672 HydrophobicContact CE1-CD2 3.89Å |
| 635 | L | 75.9 | Confident | 76.9 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 36% | 0.361 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -47.9 | 172 | 179.7 | 62.3 | 0 | 0 | 0 | 111.1 | L631 C637 G638 I640 P642 | L631-L635 PolarHBondContact O-N 2.52Å; L635-C637 PolarHBondContact O-N 3.35Å; L635-G638 PolarHBondContact O-N 3.29Å; L635-I640 HydrophobicContact CB-CD1 4.24Å; L635-I640 HydrophobicContact CB-CG1 4.13Å; L635-I640 WeakPolarHBondContact CD1-O 3.41Å; L635-P642 HydrophobicContact CD1-CG 4.02Å |
| 636 | N | 71 | Confident | 77.6 | Confident | 138 Ų | 138 | 48 Ų | 48 | 74% | 0.738 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -16.7 | 176 | -71.8 | 3.8 | 0 | 0 | 0 | 114.1 | S632 | S632-N636 WeakPolarHBondContact O-CB 3.26Å; S632-N636 VanDerWaalsContact O-CG 3.24Å; S632-N636 PolarHBondContact O-N 3.26Å; S632-N636 VanDerWaalsContact O-N 3.07Å; S632-N636 PolarHBondContact O-OD1 3.1Å |
| 637 | C | 72.9 | Confident | 77.3 | Confident | 81 Ų | 81 | 49.1 Ų | 49.1 | 55% | 0.547 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 7.3 | 178.1 | -64.8 | 0 | 0 | 0 | 0 | 113.1 | S633 Y634 L635 F639 | S633-C637 PolarHBondContact O-SG 3.44Å; S633-C637 VanDerWaalsContact O-SG 3.34Å; Y634-C637 CarbonylContact O-C 3.58Å; Y634-C637 PolarHBondContact O-N 3.17Å; Y634-C637 VanDerWaalsContact O-N 3.15Å; L635-C637 PolarHBondContact O-N 3.35Å; C637-F639 VanDerWaalsContact C-N 3.27Å; C637-F639 HydrophobicContact CB-CD2 3.48Å; C637-F639 VanDerWaalsContact CB-CD2 3.48Å; C637-F639 HydrophobicContact CB-CE2 3.49Å; C637-F639 VanDerWaalsContact CB-CE2 3.49Å; C637-F639 HydrophobicContact CB-CG 4.39Å; C637-F639 HydrophobicContact CB-CZ 4.41Å; C637-F639 PolarHBondContact O-N 2.89Å |
| 638 | G | 73.9 | Confident | 77 | Confident | 60 Ų | 60 | 50.1 Ų | 50.1 | 62% | 0.619 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.5 | 14.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y634 L635 | Y634-G638 PolarHBondContact O-N 3.21Å; L635-G638 PolarHBondContact O-N 3.29Å |
| 639 | F | 74.3 | Confident | 76.8 | Confident | 71 Ų | 71 | 51 Ų | 51 | 31% | 0.311 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -80.5 | -18.5 | -177.7 | -68.6 | -50.6 | 0 | 0 | 0 | 113.8 | Y634 C637 R655 L673 L676 | Y634-F639 HydrophobicContact CD1-CD2 4.34Å; Y634-F639 PolarHBondContact O-N 2.91Å; C637-F639 VanDerWaalsContact C-N 3.27Å; C637-F639 HydrophobicContact CB-CD2 3.48Å; C637-F639 VanDerWaalsContact CB-CD2 3.48Å; C637-F639 HydrophobicContact CB-CE2 3.49Å; C637-F639 VanDerWaalsContact CB-CE2 3.49Å; C637-F639 HydrophobicContact CB-CG 4.39Å; C637-F639 HydrophobicContact CB-CZ 4.41Å; C637-F639 PolarHBondContact O-N 2.89Å; F639-R655 PolarHBondContact O-NE 3Å; F639-R655 VanDerWaalsContact O-NE 3.15Å; F639-R655 PolarHBondContact O-NH2 3.39Å; F639-L673 HydrophobicContact CE1-CD1 3.6Å; F639-L673 HydrophobicContact CZ-CD1 4.15Å; F639-L676 HydrophobicContact CB-CD1 4.03Å; F639-L676 HydrophobicContact CD1-CD1 4.12Å; F639-L676 HydrophobicContact CG-CD1 4.2Å |
| 640 | I | 81.6 | Confident | 77.3 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -147.5 | 159.1 | -176.4 | 56.8 | 167.6 | 0 | 0 | 0 | 111.2 | L631 L635 R655 N656 C659 | L631-I640 HydrophobicContact CB-CD1 3.65Å; L631-I640 HydrophobicContact CD1-CD1 4.41Å; L631-I640 HydrophobicContact CD2-CD1 4.26Å; L631-I640 HydrophobicContact CG-CD1 4.33Å; L635-I640 HydrophobicContact CB-CD1 4.24Å; L635-I640 HydrophobicContact CB-CG1 4.13Å; L635-I640 WeakPolarHBondContact CD1-O 3.41Å; I640-R655 HydrophobicContact CG2-CB 4.16Å; I640-N656 VanDerWaalsContact CB-OD1 3.31Å; I640-N656 WeakPolarHBondContact CB-OD1 3.42Å; I640-N656 WeakPolarHBondContact CD1-OD1 3.39Å; I640-N656 VanDerWaalsContact CG2-OD1 3.31Å; I640-N656 WeakPolarHBondContact CG2-OD1 3.49Å; I640-C659 HydrophobicContact CG2-CB 4.33Å |
| 641 | D | 75.6 | Confident | 77.4 | Confident | 109 Ų | 109 | 47 Ų | 47 | 58% | 0.583 | 28% | 0.283 | S | S | * | . | trans | -82.6 | 162.1 | 172.2 | -57.3 | -72.9 | 0 | 0 | 0 | 112.7 | V643 | D641-V643 PolarHBondContact O-N 2.7Š| ||
| 642 | P | 71.9 | Confident | 77.2 | Confident | 44 Ų | 44 | 50.9 Ų | 50.9 | 29% | 0.286 | 30% | 0.303 | S | S | . | . | trans | -64.3 | 115.4 | 176.5 | -18.9 | 31 | 0 | 0 | 0 | 112.6 | L635 N644 | L635-P642 HydrophobicContact CD1-CG 4.02Å; P642-N644 PolarHBondContact O-N 2.67Å | ||
| 643 | V | 79.7 | Confident | 77.6 | Confident | 6 Ų | 6 | 51 Ų | 51 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | trans | -67.6 | 95.4 | 171.9 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | F627 Q628 L631 D641 W651 | F627-V643 HydrophobicContact CB-CG1 4.27Å; Q628-V643 VanDerWaalsContact CG-O 3.22Å; Q628-V643 WeakPolarHBondContact CG-O 3.37Å; Q628-V643 PolarHBondContact NE2-O 2.83Å; L631-V643 HydrophobicContact CD1-CG2 3.92Å; D641-V643 PolarHBondContact O-N 2.7Å; V643-W651 HydrophobicContact CG1-CH2 4.29Å; V643-W651 HydrophobicContact CG1-CZ2 3.63Å; V643-W651 HydrophobicContact CG2-CH2 4.37Å; V643-W651 HydrophobicContact CG2-CZ2 4.35Å | ||
| 644 | N | 75.1 | Confident | 78.2 | Confident | 75 Ų | 75 | 49 Ų | 49 | 40% | 0.401 | 29% | 0.289 | S | S | . | . | trans | -91.9 | -24.8 | -176.4 | -70.2 | -29.9 | 0 | 0 | 0 | 113.2 | Y199 P642 | Y199-N644 PolarHBondContact OH-ND2 2.79Å; Y199-N644 VanDerWaalsContact OH-ND2 3.11Å; P642-N644 PolarHBondContact O-N 2.67Å | ||
| 645 | D | 78.8 | Confident | 78.5 | Confident | 51 Ų | 51 | 50.3 Ų | 50.3 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -147.5 | -176.7 | -175.7 | 60.1 | 61.7 | 0 | 0 | 0 | 112.3 | T647 N650 | D645-T647 HydrophobicContact CB-CG2 4.19Å; D645-T647 WeakPolarHBondContact OD1-CA 3.09Å; D645-T647 WeakPolarHBondContact OD1-CB 3.48Å; D645-T647 WeakPolarHBondContact OD1-CG2 3.21Å; D645-T647 PolarHBondContact OD1-N 3.07Å; D645-T647 PolarHBondContact OD1-OG1 2.68Å; D645-N650 PolarHBondContact OD1-ND2 3.46Å; D645-N650 PolarHBondContact OD2-ND2 2.99Å |
| 646 | L | 80.4 | Confident | 79.2 | Confident | 12 Ų | 12 | 47.2 Ų | 47.2 | 6% | 0.063 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -102.2 | 10.8 | 175.1 | -56.3 | 176 | 0 | 0 | 0 | 113.1 | E620 L623 I624 F627 I755 L758 | E620-L646 HydrophobicContact CB-CD1 3.94Å; E620-L646 HydrophobicContact CG-CD1 4.03Å; L623-L646 HydrophobicContact CB-CD1 4.37Å; L623-L646 HydrophobicContact CD2-CD1 3.79Å; L623-L646 HydrophobicContact CD2-CD2 4.25Å; L623-L646 HydrophobicContact CG-CD1 4.19Å; L623-L646 HydrophobicContact CG-CD2 4.02Å; I624-L646 HydrophobicContact CD1-CG 4.16Å; I624-L646 HydrophobicContact CG1-CD1 4.2Å; I624-L646 HydrophobicContact CG1-CD2 3.63Å; I624-L646 HydrophobicContact CG1-CG 3.55Å; F627-L646 HydrophobicContact CD2-CD2 4.1Å; F627-L646 HydrophobicContact CE2-CD2 4.16Å; L646-I755 HydrophobicContact CB-CG1 3.94Å; L646-I755 HydrophobicContact CD1-CG1 4.07Å; L646-L758 HydrophobicContact CB-CD1 4.22Å; L646-L758 HydrophobicContact CD2-CD1 4.12Å |
| 647 | T | 77.3 | Confident | 80.2 | Confident | 48 Ų | 48 | 40.8 Ų | 40.8 | 29% | 0.294 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -71.4 | 156.9 | -178 | 74.9 | 0 | 0 | 0 | 0 | 111.1 | D645 S649 N650 W651 | D645-T647 HydrophobicContact CB-CG2 4.19Å; D645-T647 WeakPolarHBondContact OD1-CA 3.09Å; D645-T647 WeakPolarHBondContact OD1-CB 3.48Å; D645-T647 WeakPolarHBondContact OD1-CG2 3.21Å; D645-T647 PolarHBondContact OD1-N 3.07Å; D645-T647 PolarHBondContact OD1-OG1 2.68Å; T647-S649 PolarHBondContact O-N 3.37Å; T647-S649 PolarHBondContact OG1-OG 3.03Å; T647-N650 PolarHBondContact O-N 3.34Å; T647-W651 VanDerWaalsContact O-CD1 3.29Å |
| 648 | P | 78.9 | Confident | 81.1 | Confident | 21 Ų | 21 | 36.9 Ų | 36.9 | 14% | 0.136 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -56.9 | -25.9 | -176.2 | -21.9 | 30.2 | 0 | 0 | 0 | 114.1 | N650 W651 I652 N751 W754 | P648-N650 VanDerWaalsContact C-N 3.27Å; P648-N650 PolarHBondContact O-N 2.97Å; P648-W651 PolarHBondContact O-N 3.02Å; P648-I652 HydrophobicContact CB-CD1 3.45Å; P648-I652 VanDerWaalsContact CB-CD1 3.45Å; P648-I652 HydrophobicContact CB-CG1 4.01Å; P648-I652 WeakPolarHBondContact O-CB 3.39Å; P648-I652 VanDerWaalsContact O-CG1 3.3Å; P648-I652 WeakPolarHBondContact O-CG1 3.33Å; P648-I652 PolarHBondContact O-N 3Å; P648-N751 WeakPolarHBondContact CD-OD1 3.27Å; P648-N751 WeakPolarHBondContact CG-OD1 3.25Å; P648-W754 HydrophobicContact CB-CG 4.38Å; P648-W754 HydrophobicContact CG-CG 4.21Å |
| 649 | S | 76.3 | Confident | 81.9 | Confident | 84 Ų | 84 | 34 Ų | 34 | 59% | 0.587 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | -53.7 | -40.7 | 179.8 | 68.4 | 0 | 0 | 0 | 0 | 113.2 | T647 W651 | T647-S649 PolarHBondContact O-N 3.37Å; T647-S649 PolarHBondContact OG1-OG 3.03Å; S649-W651 VanDerWaalsContact C-N 3.28Å; S649-W651 PolarHBondContact O-N 3.19Å |
| 650 | N | 81.1 | Confident | 82.7 | Confident | 19 Ų | 19 | 30.8 Ų | 30.8 | 10% | 0.102 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -76.8 | -9 | -178.8 | -81.8 | -62 | 0 | 0 | 0 | 113.9 | D645 T647 P648 N656 | D645-N650 PolarHBondContact OD1-ND2 3.46Å; D645-N650 PolarHBondContact OD2-ND2 2.99Å; T647-N650 PolarHBondContact O-N 3.34Å; P648-N650 VanDerWaalsContact C-N 3.27Å; P648-N650 PolarHBondContact O-N 2.97Å; N650-N656 PolarHBondContact O-ND2 3.38Å |
| 651 | W | 85.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.7 | -28 | -167.3 | -55.5 | 99.5 | 0 | 0 | 0 | 114.9 | F627 L631 V643 T647 P648 S649 C653 G654 N656 L657 W754 L758 | F627-W651 HydrophobicContact CB-CH2 3.92Å; F627-W651 HydrophobicContact CB-CZ2 4.19Å; F627-W651 AromaticContact CD1-CH2 3.38Å; F627-W651 HydrophobicContact CD1-CH2 3.38Å; F627-W651 HydrophobicContact CD1-CZ2 4.12Å; F627-W651 HydrophobicContact CD1-CZ3 4.17Å; F627-W651 HydrophobicContact CD2-CH2 4.01Å; F627-W651 AromaticContact CD2-CZ2 3.88Å; F627-W651 HydrophobicContact CD2-CZ2 3.88Å; F627-W651 AromaticContact CE1-CH2 3.79Å; F627-W651 HydrophobicContact CE1-CH2 3.79Å; F627-W651 HydrophobicContact CE1-CZ2 4.46Å; F627-W651 HydrophobicContact CE1-CZ3 4.29Å; F627-W651 HydrophobicContact CE2-CH2 4.36Å; F627-W651 HydrophobicContact CE2-CZ2 4.24Å; F627-W651 AromaticContact CG-CH2 3.51Å; F627-W651 HydrophobicContact CG-CH2 3.51Å; F627-W651 AromaticContact CG-CZ2 3.81Å; F627-W651 HydrophobicContact CG-CZ2 3.81Å; F627-W651 HydrophobicContact CZ-CH2 4.27Å; L631-W651 HydrophobicContact CD1-CH2 4.12Å; L631-W651 HydrophobicContact CD1-CZ3 4.34Å; V643-W651 HydrophobicContact CG1-CH2 4.29Å; V643-W651 HydrophobicContact CG1-CZ2 3.63Å; V643-W651 HydrophobicContact CG2-CH2 4.37Å; V643-W651 HydrophobicContact CG2-CZ2 4.35Å; T647-W651 VanDerWaalsContact O-CD1 3.29Å; P648-W651 PolarHBondContact O-N 3.02Å; S649-W651 VanDerWaalsContact C-N 3.28Å; S649-W651 PolarHBondContact O-N 3.19Å; W651-C653 PolarHBondContact O-N 3.4Å; W651-G654 PolarHBondContact O-N 3.02Å; W651-G654 VanDerWaalsContact O-N 3.09Å; W651-N656 HydrophobicContact CE3-CB 3.77Å; W651-N656 HydrophobicContact CH2-CB 4.45Å; W651-N656 HydrophobicContact CZ3-CB 3.68Å; W651-L657 HydrophobicContact CE3-CD2 3.68Å; W651-L657 HydrophobicContact CE3-CG 4.07Å; W651-L657 HydrophobicContact CZ3-CD2 3.98Å; W651-W754 HydrophobicContact CB-CD2 4.49Å; W651-W754 HydrophobicContact CB-CE3 3.72Å; W651-W754 HydrophobicContact CB-CH2 3.74Å; W651-W754 HydrophobicContact CB-CZ3 3.3Å; W651-W754 HydrophobicContact CG-CE3 4.21Å; W651-W754 HydrophobicContact CG-CZ3 4.14Å; W651-L758 HydrophobicContact CD2-CD1 4.21Å; W651-L758 HydrophobicContact CD2-CD2 3.6Å; W651-L758 HydrophobicContact CE3-CD2 3.78Å; W651-L758 HydrophobicContact CG-CD1 4.18Å; W651-L758 HydrophobicContact CG-CD2 4.13Å; W651-L758 HydrophobicContact CH2-CD2 4.14Å; W651-L758 HydrophobicContact CZ2-CD1 4.38Å; W651-L758 HydrophobicContact CZ2-CD2 3.96Å; W651-L758 HydrophobicContact CZ3-CD2 4.04Å |
| 652 | I | 81.9 | Confident | 83.9 | Confident | 84 Ų | 84 | 27.3 Ų | 27.3 | 43% | 0.431 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.6 | -28.6 | 178.7 | -76.6 | 171.3 | 0 | 0 | 0 | 112.8 | P648 G654 W754 | P648-I652 HydrophobicContact CB-CD1 3.45Å; P648-I652 VanDerWaalsContact CB-CD1 3.45Å; P648-I652 HydrophobicContact CB-CG1 4.01Å; P648-I652 WeakPolarHBondContact O-CB 3.39Å; P648-I652 VanDerWaalsContact O-CG1 3.3Å; P648-I652 WeakPolarHBondContact O-CG1 3.33Å; P648-I652 PolarHBondContact O-N 3Å; I652-G654 PolarHBondContact O-N 3.44Å; I652-W754 HydrophobicContact CG1-CZ2 3.85Å |
| 653 | C | 82.7 | Confident | 84.6 | Confident | 24 Ų | 24 | 28.2 Ų | 28.2 | 16% | 0.162 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -10.4 | 178.7 | 69.8 | 0 | 0 | 0 | 0 | 114.3 | W651 R655 R703 | W651-C653 PolarHBondContact O-N 3.4Å; C653-R655 PolarHBondContact O-N 3.21Å; C653-R703 WeakPolarHBondContact O-CB 3.4Å; C653-R703 PolarHBondContact O-NH1 3.13Å |
| 654 | G | 85.2 | Confident | 84.9 | Confident | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | S | Bend | trans | 71.1 | -25.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | W651 I652 N656 L657 L658 | W651-G654 PolarHBondContact O-N 3.02Å; W651-G654 VanDerWaalsContact O-N 3.09Å; I652-G654 PolarHBondContact O-N 3.44Å; G654-N656 VanDerWaalsContact C-N 3.33Å; G654-N656 PolarHBondContact O-N 2.89Å; G654-L657 PolarHBondContact O-N 2.84Å; G654-L658 PolarHBondContact O-N 2.97Å |
| 655 | R | 88.4 | Confident | 85.4 | Confident | 50 Ų | 50 | 30 Ų | 30 | 19% | 0.189 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -53.4 | -46.3 | -175.6 | -60.8 | 173.7 | 69.4 | 141.1 | -10.3 | 112.2 | F639 I640 C653 L657 L658 C659 L676 D679 | F639-R655 PolarHBondContact O-NE 3Å; F639-R655 VanDerWaalsContact O-NE 3.15Å; F639-R655 PolarHBondContact O-NH2 3.39Å; I640-R655 HydrophobicContact CG2-CB 4.16Å; C653-R655 PolarHBondContact O-N 3.21Å; R655-L657 PolarHBondContact O-N 3.08Å; R655-L658 PolarHBondContact O-N 2.95Å; R655-C659 WeakPolarHBondContact O-CB 3.39Å; R655-C659 PolarHBondContact O-N 2.95Å; R655-C659 PolarHBondContact O-SG 3.44Å; R655-L676 HydrophobicContact CB-CD2 3.86Å; R655-L676 HydrophobicContact CG-CD2 3.76Å; R655-D679 IonicContact NH1-OD2 2.69Å; R655-D679 PolarHBondContact NH1-OD2 3.38Å |
| 656 | N | 90.1 | Very high | 85.6 | Confident | 4 Ų | 4 | 29.3 Ų | 29.3 | 2% | 0.021 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -66.7 | -34.4 | 179.2 | -81.9 | -33 | 0 | 0 | 0 | 113.4 | L631 I640 N650 W651 G654 L660 | L631-N656 HydrophobicContact CD1-CB 4.13Å; I640-N656 VanDerWaalsContact CB-OD1 3.31Å; I640-N656 WeakPolarHBondContact CB-OD1 3.42Å; I640-N656 WeakPolarHBondContact CD1-OD1 3.39Å; I640-N656 VanDerWaalsContact CG2-OD1 3.31Å; I640-N656 WeakPolarHBondContact CG2-OD1 3.49Å; N650-N656 PolarHBondContact O-ND2 3.38Å; W651-N656 HydrophobicContact CE3-CB 3.77Å; W651-N656 HydrophobicContact CH2-CB 4.45Å; W651-N656 HydrophobicContact CZ3-CB 3.68Å; G654-N656 VanDerWaalsContact C-N 3.33Å; G654-N656 PolarHBondContact O-N 2.89Å; N656-L660 WeakPolarHBondContact O-CB 3.49Å; N656-L660 PolarHBondContact O-N 2.93Å; N656-L660 VanDerWaalsContact O-N 3.09Å |
| 657 | L | 91.8 | Very high | 85.7 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -73.3 | -43.4 | 175.4 | -62.9 | 177 | 0 | 0 | 0 | 111.5 | W651 G654 R655 C659 L660 I661 L704 A707 L711 I761 | W651-L657 HydrophobicContact CE3-CD2 3.68Å; W651-L657 HydrophobicContact CE3-CG 4.07Å; W651-L657 HydrophobicContact CZ3-CD2 3.98Å; G654-L657 PolarHBondContact O-N 2.84Å; R655-L657 PolarHBondContact O-N 3.08Å; L657-C659 PolarHBondContact O-N 3.42Å; L657-L660 PolarHBondContact O-N 2.96Å; L657-I661 WeakPolarHBondContact O-CD1 3.43Å; L657-I661 VanDerWaalsContact O-CG1 3.27Å; L657-I661 WeakPolarHBondContact O-CG1 3.25Å; L657-I661 PolarHBondContact O-N 2.99Å; L657-L704 HydrophobicContact CD1-CD1 3.89Å; L657-A707 HydrophobicContact CB-CB 3.58Å; L657-A707 HydrophobicContact CD1-CB 4.2Å; L657-L711 HydrophobicContact CD1-CD1 4.48Å; L657-L711 HydrophobicContact CD2-CD1 4.48Å; L657-I761 HydrophobicContact CD2-CD1 3.86Å |
| 658 | L | 91.4 | Very high | 86.1 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 175.6 | -67 | 175.3 | 0 | 0 | 0 | 111.7 | G654 R655 L660 I661 H662 L669 L672 Q675 R703 N706 A707 L710 | G654-L658 PolarHBondContact O-N 2.97Å; R655-L658 PolarHBondContact O-N 2.95Å; L658-L660 VanDerWaalsContact C-N 3.32Å; L658-L660 PolarHBondContact O-N 2.98Å; L658-I661 PolarHBondContact O-N 2.93Å; L658-H662 WeakPolarHBondContact O-CB 3.37Å; L658-H662 PolarHBondContact O-N 2.93Å; L658-L669 HydrophobicContact CB-CD1 4.15Å; L658-L669 HydrophobicContact CD2-CD1 3.94Å; L658-L669 HydrophobicContact CD2-CD2 4.15Å; L658-L669 VanDerWaalsContact O-CD1 3.22Å; L658-L669 WeakPolarHBondContact O-CD1 3.49Å; L658-L672 HydrophobicContact CB-CD1 4.03Å; L658-Q675 HydrophobicContact CD1-CB 4.49Å; L658-R703 HydrophobicContact CD1-CB 3.91Å; L658-R703 HydrophobicContact CD1-CG 4.11Å; L658-N706 HydrophobicContact CD2-CB 4.46Å; L658-A707 HydrophobicContact CD2-CB 3.84Å; L658-A707 HydrophobicContact CG-CB 4.1Å; L658-L710 HydrophobicContact CD2-CD1 4.37Å |
| 659 | C | 90.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.6 | -37.9 | 175.2 | -68.6 | 0 | 0 | 0 | 0 | 112.1 | L631 Y634 I640 R655 L657 R663 | L631-C659 HydrophobicContact CD2-CB 3.7Å; Y634-C659 HydrophobicContact CD1-CB 4.07Å; Y634-C659 HydrophobicContact CD2-CB 3.76Å; Y634-C659 HydrophobicContact CE1-CB 4.44Å; Y634-C659 HydrophobicContact CE2-CB 4.14Å; Y634-C659 VanDerWaalsContact CE2-O 3.32Å; Y634-C659 WeakPolarHBondContact CE2-O 3.39Å; Y634-C659 HydrophobicContact CG-CB 3.73Å; I640-C659 HydrophobicContact CG2-CB 4.33Å; R655-C659 WeakPolarHBondContact O-CB 3.39Å; R655-C659 PolarHBondContact O-N 2.95Å; R655-C659 PolarHBondContact O-SG 3.44Å; L657-C659 PolarHBondContact O-N 3.42Å; C659-R663 WeakPolarHBondContact O-CB 3.23Å; C659-R663 PolarHBondContact O-N 3.08Å |
| 660 | L | 91.5 | Very high | 86.3 | Confident | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.01 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -67.3 | -41.8 | 176.2 | -173.2 | 65.9 | 0 | 0 | 0 | 112.3 | W626 F627 R630 L631 N656 L657 L658 R663 Y664 I761 F765 | W626-L660 HydrophobicContact CH2-CD1 4.06Å; W626-L660 HydrophobicContact CH2-CD2 4.5Å; W626-L660 HydrophobicContact CZ3-CD1 3.99Å; W626-L660 HydrophobicContact CZ3-CD2 4.19Å; F627-L660 HydrophobicContact CD1-CD2 4.06Å; F627-L660 HydrophobicContact CE1-CD2 3.7Å; R630-L660 HydrophobicContact CB-CD1 3.72Å; R630-L660 HydrophobicContact CG-CD1 4.34Å; L631-L660 HydrophobicContact CD2-CB 4.07Å; N656-L660 WeakPolarHBondContact O-CB 3.49Å; N656-L660 PolarHBondContact O-N 2.93Å; N656-L660 VanDerWaalsContact O-N 3.09Å; L657-L660 PolarHBondContact O-N 2.96Å; L658-L660 VanDerWaalsContact C-N 3.32Å; L658-L660 PolarHBondContact O-N 2.98Å; L660-R663 WeakPolarHBondContact O-CB 3.36Å; L660-R663 PolarHBondContact O-N 3.39Å; L660-Y664 HydrophobicContact CD1-CD2 4.46Å; L660-Y664 HydrophobicContact CD1-CE2 4.23Å; L660-I761 HydrophobicContact CD2-CG2 3.56Å; L660-F765 HydrophobicContact CD1-CD1 4.36Å; L660-F765 HydrophobicContact CD2-CD1 4.23Å; L660-F765 HydrophobicContact CD2-CE1 4.37Å; L660-F765 HydrophobicContact CG-CD1 3.88Å; L660-F765 HydrophobicContact CG-CE1 3.91Å |
| 661 | I | 91.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -61.4 | -53.2 | 175.2 | -66 | 156.8 | 0 | 0 | 0 | 109.6 | L657 L658 R663 Y664 R665 L668 L669 A707 L710 L711 F715 F765 | L657-I661 WeakPolarHBondContact O-CD1 3.43Å; L657-I661 VanDerWaalsContact O-CG1 3.27Å; L657-I661 WeakPolarHBondContact O-CG1 3.25Å; L657-I661 PolarHBondContact O-N 2.99Å; L658-I661 PolarHBondContact O-N 2.93Å; I661-R663 PolarHBondContact O-N 3.22Å; I661-Y664 PolarHBondContact O-N 3.37Å; I661-Y664 VanDerWaalsContact O-N 3.09Å; I661-R665 PolarHBondContact O-N 3.49Å; I661-L668 HydrophobicContact CG2-CB 4.43Å; I661-L668 HydrophobicContact CG2-CD1 4.3Å; I661-L669 HydrophobicContact CB-CD1 3.89Å; I661-L669 HydrophobicContact CG2-CD1 3.8Å; I661-L669 HydrophobicContact CG2-CG 4.39Å; I661-A707 HydrophobicContact CD1-CB 4.1Å; I661-L710 HydrophobicContact CD1-CB 4.02Å; I661-L710 HydrophobicContact CD1-CD1 4.32Å; I661-L710 HydrophobicContact CG2-CD1 4.49Å; I661-L711 HydrophobicContact CD1-CD2 4.43Å; I661-L711 HydrophobicContact CD1-CG 4.07Å; I661-L711 HydrophobicContact CG1-CD2 4.17Å; I661-L711 HydrophobicContact CG1-CG 4.36Å; I661-F715 HydrophobicContact CG1-CE2 4.48Å; I661-F715 HydrophobicContact CG2-CE2 4.07Å; I661-F715 HydrophobicContact CG2-CZ 4.29Å; I661-F765 HydrophobicContact CG1-CZ 4.27Å |
| 662 | H | 92 | Very high | 85.8 | Confident | 46 Ų | 46 | 37.7 Ų | 37.7 | 21% | 0.213 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.6 | -28.9 | 178.5 | 177.5 | -109.5 | 0 | 0 | 0 | 112.7 | Y634 L658 Y664 P666 L669 L672 | Y634-H662 AromaticContact CE1-ND1 3.56Å; Y634-H662 AromaticContact CZ-ND1 3.72Å; Y634-H662 PolarHBondContact OH-ND1 3.29Å; Y634-H662 VanDerWaalsContact OH-ND1 3.12Å; L658-H662 WeakPolarHBondContact O-CB 3.37Å; L658-H662 PolarHBondContact O-N 2.93Å; H662-Y664 VanDerWaalsContact C-N 3.26Å; H662-Y664 PolarHBondContact O-N 3.21Å; H662-P666 VanDerWaalsContact CD2-CA 3.48Å; H662-P666 WeakPolarHBondContact CD2-CA 3.29Å; H662-P666 WeakPolarHBondContact O-CA 3.3Å; H662-P666 WeakPolarHBondContact O-CD 3.31Å; H662-L669 HydrophobicContact CB-CB 4.1Å; H662-L669 HydrophobicContact CB-CD1 4.08Å; H662-L669 PolarHBondContact CD2-O 2.98Å; H662-L672 HydrophobicContact CB-CD2 3.9Å; H662-L672 VanDerWaalsContact ND1-CD2 3.29Å; H662-L672 WeakPolarHBondContact ND1-CD2 3.47Å |
| 663 | R | 86.3 | Confident | 85.3 | Confident | 63 Ų | 63 | 37.4 Ų | 37.4 | 24% | 0.238 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.2 | -29.8 | 177.2 | -169.1 | 55.5 | 175.6 | 108.4 | -10.6 | 114.1 | Y634 C659 L660 I661 L770 | Y634-R663 HydrophobicContact CE2-CB 3.92Å; Y634-R663 HydrophobicContact CE2-CG 4.25Å; Y634-R663 VanDerWaalsContact OH-CA 3.26Å; Y634-R663 WeakPolarHBondContact OH-CA 3.48Å; Y634-R663 PolarHBondContact OH-N 3.48Å; C659-R663 WeakPolarHBondContact O-CB 3.23Å; C659-R663 PolarHBondContact O-N 3.08Å; L660-R663 WeakPolarHBondContact O-CB 3.36Å; L660-R663 PolarHBondContact O-N 3.39Å; I661-R663 PolarHBondContact O-N 3.22Å; R663-L770 HydrophobicContact CG-CD2 4.11Å |
| 664 | Y | 86.1 | Confident | 84.7 | Confident | 7 Ų | 7 | 41 Ų | 41 | 3% | 0.027 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -107.8 | -31.4 | -175.8 | -84 | -89.7 | 0 | 0 | 0 | 113.2 | W626 R630 L660 I661 H662 F765 L768 L770 | W626-Y664 HydrophobicContact CH2-CE2 4.32Å; W626-Y664 HydrophobicContact CZ2-CE2 4.42Å; W626-Y664 VanDerWaalsContact CZ2-OH 3.29Å; W626-Y664 WeakPolarHBondContact CZ2-OH 3.34Å; R630-Y664 HydrophobicContact CG-CE2 4.16Å; R630-Y664 PolarHBondContact NE-OH 2.99Å; R630-Y664 PolarHBondContact NH2-OH 3.46Å; L660-Y664 HydrophobicContact CD1-CD2 4.46Å; L660-Y664 HydrophobicContact CD1-CE2 4.23Å; I661-Y664 PolarHBondContact O-N 3.37Å; I661-Y664 VanDerWaalsContact O-N 3.09Å; H662-Y664 VanDerWaalsContact C-N 3.26Å; H662-Y664 PolarHBondContact O-N 3.21Å; Y664-F765 AromaticContact CD2-CD1 3.49Å; Y664-F765 HydrophobicContact CD2-CD1 3.49Å; Y664-F765 VanDerWaalsContact CD2-CD1 3.49Å; Y664-F765 HydrophobicContact CD2-CE1 4.06Å; Y664-F765 HydrophobicContact CD2-CG 4.47Å; Y664-F765 WeakPolarHBondContact CE1-O 3.24Å; Y664-F765 HydrophobicContact CE2-CB 4.21Å; Y664-F765 AromaticContact CE2-CD1 3.79Å; Y664-F765 HydrophobicContact CE2-CD1 3.79Å; Y664-F765 HydrophobicContact CE2-CG 4.49Å; Y664-F765 AromaticContact CG-CD1 3.92Å; Y664-F765 HydrophobicContact CG-CD1 3.92Å; Y664-F765 HydrophobicContact CG-CE1 4.35Å; Y664-F765 PolarHBondContact OH-O 3.37Å; Y664-L768 HydrophobicContact CD1-CB 3.56Å; Y664-L768 HydrophobicContact CD1-CD1 4.07Å; Y664-L768 HydrophobicContact CD1-CG 4.49Å; Y664-L768 HydrophobicContact CE1-CB 3.7Å; Y664-L768 WeakPolarHBondContact CE1-O 3.34Å; Y664-L768 HydrophobicContact CG-CD1 4.48Å; Y664-L770 HydrophobicContact CD1-CD2 4Å; Y664-L770 HydrophobicContact CD1-CG 4.38Å; Y664-L770 HydrophobicContact CD2-CD2 4.21Å; Y664-L770 HydrophobicContact CE1-CD2 3.9Å; Y664-L770 HydrophobicContact CE1-CG 3.96Å; Y664-L770 HydrophobicContact CE2-CD2 4.1Å; Y664-L770 HydrophobicContact CG-CD2 4.2Å |
| 665 | R | 84.5 | Confident | 83.9 | Confident | 112 Ų | 112 | 43.5 Ų | 43.5 | 42% | 0.423 | 22% | 0.215 | S | C | . | . | trans | -139.2 | 69.8 | -177 | -71.6 | -65.9 | -175.6 | -178 | -1.8 | 110.4 | I661 E667 L668 F715 | I661-R665 PolarHBondContact O-N 3.49Å; R665-E667 WeakPolarHBondContact CA-OE2 3.38Å; R665-E667 WeakPolarHBondContact CD-OE1 3.45Å; R665-E667 IonicContact CZ-OE1 3.22Å; R665-E667 IonicContact NE-OE1 2.75Å; R665-E667 IonicContact NH1-OE1 3.53Å; R665-E667 PolarHBondContact NH1-OE1 3.41Å; R665-E667 PolarHBondContact O-N 3.16Å; R665-L668 HydrophobicContact CB-CB 4.45Å; R665-L668 HydrophobicContact CB-CD1 3.64Å; R665-L668 HydrophobicContact CB-CG 3.87Å; R665-L668 HydrophobicContact CG-CD1 4.11Å; R665-L668 PolarHBondContact O-N 3.26Å; R665-L668 VanDerWaalsContact O-N 3.1Å; R665-F715 HydrophobicContact CB-CZ 4.06Å; R665-F715 HydrophobicContact CG-CE1 3.91Å; R665-F715 HydrophobicContact CG-CZ 3.64Å | ||
| 666 | P | 83.2 | Confident | 83.1 | Confident | 36 Ų | 36 | 41.5 Ų | 41.5 | 23% | 0.234 | 21% | 0.208 | C | C | . | . | G | 310 helix | trans | -60.2 | -25.2 | 179 | 25.9 | -34.9 | 0 | 0 | 0 | 112.9 | H662 L668 L669 | H662-P666 VanDerWaalsContact CD2-CA 3.48Å; H662-P666 WeakPolarHBondContact CD2-CA 3.29Å; H662-P666 WeakPolarHBondContact O-CA 3.3Å; H662-P666 WeakPolarHBondContact O-CD 3.31Å; P666-L668 PolarHBondContact O-N 3.42Å; P666-L669 CarbonylContact O-C 2.98Å; P666-L669 PolarHBondContact O-N 3.1Å; P666-L669 VanDerWaalsContact O-N 3.12Å |
| 667 | E | 83.9 | Confident | 81.6 | Confident | 111 Ų | 111 | 44.7 Ų | 44.7 | 52% | 0.519 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -63.4 | -16.7 | 175.5 | 68.6 | -90.7 | -141.8 | 0 | 0 | 114.7 | R665 | R665-E667 WeakPolarHBondContact CA-OE2 3.38Å; R665-E667 WeakPolarHBondContact CD-OE1 3.45Å; R665-E667 IonicContact CZ-OE1 3.22Å; R665-E667 IonicContact NE-OE1 2.75Å; R665-E667 IonicContact NH1-OE1 3.53Å; R665-E667 PolarHBondContact NH1-OE1 3.41Å; R665-E667 PolarHBondContact O-N 3.16Å |
| 668 | L | 84.8 | Confident | 79.6 | Confident | 40 Ų | 40 | 48.1 Ų | 48.1 | 21% | 0.209 | 24% | 0.241 | C | C | . | . | G | 310 helix | trans | -89.4 | -16 | 176.1 | -60.3 | 179.7 | 0 | 0 | 0 | 113.2 | I661 R665 P666 L710 H714 F715 | I661-L668 HydrophobicContact CG2-CB 4.43Å; I661-L668 HydrophobicContact CG2-CD1 4.3Å; R665-L668 HydrophobicContact CB-CB 4.45Å; R665-L668 HydrophobicContact CB-CD1 3.64Å; R665-L668 HydrophobicContact CB-CG 3.87Å; R665-L668 HydrophobicContact CG-CD1 4.11Å; R665-L668 PolarHBondContact O-N 3.26Å; R665-L668 VanDerWaalsContact O-N 3.1Å; P666-L668 PolarHBondContact O-N 3.42Å; L668-L710 HydrophobicContact CB-CD2 4.49Å; L668-H714 HydrophobicContact CD1-CB 3.69Å; L668-F715 HydrophobicContact CD1-CE2 3.9Å; L668-F715 HydrophobicContact CD1-CZ 4.1Å |
| 669 | L | 85 | Confident | 77.5 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.005 | 26% | 0.263 | C | S | . | . | trans | -139.3 | 57.2 | -175 | -71.1 | 175.1 | 0 | 0 | 0 | 111 | L658 I661 H662 P666 D671 L672 Q675 L710 | L658-L669 HydrophobicContact CB-CD1 4.15Å; L658-L669 HydrophobicContact CD2-CD1 3.94Å; L658-L669 HydrophobicContact CD2-CD2 4.15Å; L658-L669 VanDerWaalsContact O-CD1 3.22Å; L658-L669 WeakPolarHBondContact O-CD1 3.49Å; I661-L669 HydrophobicContact CB-CD1 3.89Å; I661-L669 HydrophobicContact CG2-CD1 3.8Å; I661-L669 HydrophobicContact CG2-CG 4.39Å; H662-L669 HydrophobicContact CB-CB 4.1Å; H662-L669 HydrophobicContact CB-CD1 4.08Å; H662-L669 PolarHBondContact CD2-O 2.98Å; P666-L669 CarbonylContact O-C 2.98Å; P666-L669 PolarHBondContact O-N 3.1Å; P666-L669 VanDerWaalsContact O-N 3.12Å; L669-D671 VanDerWaalsContact C-N 3.27Å; L669-D671 PolarHBondContact O-N 2.88Å; L669-L672 PolarHBondContact O-N 3.38Å; L669-Q675 VanDerWaalsContact CD2-OE1 3.3Å; L669-L710 HydrophobicContact CD1-CD1 4.23Å; L669-L710 HydrophobicContact CD2-CD1 3.67Å; L669-L710 HydrophobicContact CG-CD1 4.01Å | ||
| 670 | P | 73.9 | Confident | 75 | Confident | 99 Ų | 99 | 59.6 Ų | 59.6 | 64% | 0.643 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -38.1 | -178.6 | 25.2 | -34.4 | 0 | 0 | 0 | 112.2 | L672 | P670-L672 VanDerWaalsContact C-N 3.34Å; P670-L672 PolarHBondContact O-N 3.01Å |
| 671 | D | 77.1 | Confident | 72.4 | Confident | 96 Ų | 96 | 64.7 Ų | 64.7 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 38.4 | 179.1 | -60.2 | -52.4 | 0 | 0 | 0 | 112.6 | L669 L673 N674 Q675 | L669-D671 VanDerWaalsContact C-N 3.27Å; L669-D671 PolarHBondContact O-N 2.88Å; D671-L673 PolarHBondContact O-N 3.35Å; D671-L673 VanDerWaalsContact O-N 3.13Å; D671-N674 HydrophobicContact CB-CB 4.26Å; D671-N674 PolarHBondContact O-N 2.97Å; D671-N674 VanDerWaalsContact O-N 3.1Å; D671-Q675 PolarHBondContact O-N 3.09Å |
| 672 | L | 80.6 | Confident | 69.6 | Low | 13 Ų | 13 | 72.2 Ų | 72.2 | 7% | 0.068 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -51.3 | -39.5 | -178.5 | 176.8 | 65.9 | 0 | 0 | 0 | 112.1 | Y634 L658 H662 L669 P670 Q675 L676 | Y634-L672 HydrophobicContact CD1-CD2 4.29Å; Y634-L672 HydrophobicContact CE1-CD2 3.89Å; L658-L672 HydrophobicContact CB-CD1 4.03Å; H662-L672 HydrophobicContact CB-CD2 3.9Å; H662-L672 VanDerWaalsContact ND1-CD2 3.29Å; H662-L672 WeakPolarHBondContact ND1-CD2 3.47Å; L669-L672 PolarHBondContact O-N 3.38Å; P670-L672 VanDerWaalsContact C-N 3.34Å; P670-L672 PolarHBondContact O-N 3.01Å; L672-Q675 PolarHBondContact O-N 3.31Å; L672-L676 HydrophobicContact CD1-CD1 4.03Å; L672-L676 HydrophobicContact CD1-CG 4.11Å; L672-L676 HydrophobicContact CD2-CD1 4.3Å; L672-L676 HydrophobicContact CG-CD1 3.84Å; L672-L676 HydrophobicContact CG-CG 4.32Å; L672-L676 WeakPolarHBondContact O-CG 3.2Å; L672-L676 PolarHBondContact O-N 2.74Å; L672-L676 VanDerWaalsContact O-N 3.11Å |
| 673 | L | 70.7 | Confident | 67 | Low | 78 Ų | 78 | 78 Ų | 78 | 41% | 0.408 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -59 | -50.6 | 179.3 | -173.6 | 64.8 | 0 | 0 | 0 | 111.3 | F639 D671 Q675 L676 E677 | F639-L673 HydrophobicContact CE1-CD1 3.6Å; F639-L673 HydrophobicContact CZ-CD1 4.15Å; D671-L673 PolarHBondContact O-N 3.35Å; D671-L673 VanDerWaalsContact O-N 3.13Å; L673-Q675 PolarHBondContact O-N 3.33Å; L673-L676 CarbonylContact O-C 3.58Å; L673-L676 PolarHBondContact O-N 2.75Å; L673-E677 HydrophobicContact CD1-CG 3.81Å; L673-E677 HydrophobicContact CG-CG 4.06Å; L673-E677 WeakPolarHBondContact O-CB 3.37Å; L673-E677 WeakPolarHBondContact O-CG 3.26Å; L673-E677 PolarHBondContact O-N 3.09Å |
| 674 | N | 70.8 | Confident | 64.4 | Low | 101 Ų | 101 | 83.3 Ų | 83.3 | 54% | 0.54 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.6 | -31.2 | 179 | -61.1 | -19.6 | 0 | 0 | 0 | 112.5 | D671 | D671-N674 HydrophobicContact CB-CB 4.26Å; D671-N674 PolarHBondContact O-N 2.97Å; D671-N674 VanDerWaalsContact O-N 3.1Å |
| 675 | Q | 68.6 | Low | 61.7 | Low | 52 Ų | 52 | 85.7 Ų | 85.7 | 24% | 0.243 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -77.7 | -20.1 | 176.2 | -62.3 | -173.1 | 22.1 | 0 | 0 | 113.5 | L658 L669 D671 L672 L673 R703 N706 | L658-Q675 HydrophobicContact CD1-CB 4.49Å; L669-Q675 VanDerWaalsContact CD2-OE1 3.3Å; D671-Q675 PolarHBondContact O-N 3.09Å; L672-Q675 PolarHBondContact O-N 3.31Å; L673-Q675 PolarHBondContact O-N 3.33Å; Q675-R703 VanDerWaalsContact O-CD 3.28Å; Q675-R703 WeakPolarHBondContact O-CD 3.32Å; Q675-N706 PolarHBondContact OE1-ND2 3.32Å |
| 676 | L | 71.4 | Confident | 59.1 | Low | 7 Ų | 7 | 84 Ų | 84 | 4% | 0.037 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -93.1 | -27.9 | 174.5 | -65.1 | 174.5 | 0 | 0 | 0 | 112.6 | F639 R655 L672 L673 I678 | F639-L676 HydrophobicContact CB-CD1 4.03Å; F639-L676 HydrophobicContact CD1-CD1 4.12Å; F639-L676 HydrophobicContact CG-CD1 4.2Å; R655-L676 HydrophobicContact CB-CD2 3.86Å; R655-L676 HydrophobicContact CG-CD2 3.76Å; L672-L676 HydrophobicContact CD1-CD1 4.03Å; L672-L676 HydrophobicContact CD1-CG 4.11Å; L672-L676 HydrophobicContact CD2-CD1 4.3Å; L672-L676 HydrophobicContact CG-CD1 3.84Å; L672-L676 HydrophobicContact CG-CG 4.32Å; L672-L676 WeakPolarHBondContact O-CG 3.2Å; L672-L676 PolarHBondContact O-N 2.74Å; L672-L676 VanDerWaalsContact O-N 3.11Å; L673-L676 CarbonylContact O-C 3.58Å; L673-L676 PolarHBondContact O-N 2.75Å; L676-I678 PolarHBondContact O-N 3.42Å |
| 677 | E | 58.7 | Low | 56.5 | Low | 71 Ų | 71 | 87.3 Ų | 87.3 | 33% | 0.332 | 48% | 0.483 | S | S | . | . | G | 310 helix | trans | -88.7 | 12.2 | -173.4 | -70 | -159.7 | 125.6 | 0 | 0 | 115.9 | L673 D679 K680 | L673-E677 HydrophobicContact CD1-CG 3.81Å; L673-E677 HydrophobicContact CG-CG 4.06Å; L673-E677 WeakPolarHBondContact O-CB 3.37Å; L673-E677 WeakPolarHBondContact O-CG 3.26Å; L673-E677 PolarHBondContact O-N 3.09Å; E677-D679 PolarHBondContact O-N 3.12Å; E677-K680 PolarHBondContact O-N 2.61Å; E677-K680 VanDerWaalsContact O-N 3.1Å; E677-K680 WeakPolarHBondContact OE1-CE 3.48Å; E677-K680 IonicContact OE1-NZ 3.85Å; E677-K680 PolarHBondContact OE1-NZ 3.04Å |
| 678 | I | 49.9 | Very low | 54.1 | Low | 75 Ų | 75 | 85.7 Ų | 85.7 | 39% | 0.385 | 48% | 0.478 | S | S | . | . | G | 310 helix | trans | -54.4 | -22.9 | 174.4 | -61.4 | 177 | 0 | 0 | 0 | 112.2 | L676 K680 A699 | L676-I678 PolarHBondContact O-N 3.42Å; I678-K680 PolarHBondContact O-N 2.86Å; I678-A699 HydrophobicContact CB-CB 4.49Å; I678-A699 HydrophobicContact CG2-CB 3.77Å |
| 679 | D | 45.9 | Very low | 51.9 | Low | 87 Ų | 87 | 89.8 Ų | 89.8 | 47% | 0.465 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -75.1 | -1.1 | -177.3 | -48.1 | -9 | 0 | 0 | 0 | 113.1 | R655 E677 R703 | R655-D679 IonicContact NH1-OD2 2.69Å; R655-D679 PolarHBondContact NH1-OD2 3.38Å; E677-D679 PolarHBondContact O-N 3.12Å; D679-R703 IonicContact OD1-CZ 3.17Å; D679-R703 IonicContact OD1-NH2 2.75Å; D679-R703 PolarHBondContact OD1-NH2 3.21Å; D679-R703 IonicContact OD2-NH2 3.35Å |
| 680 | K | 39.7 | Very low | 49.5 | Very low | 154 Ų | 154 | 99.9 Ų | 99.9 | 67% | 0.67 | 54% | 0.538 | S | S | * | . | trans | -106.5 | 84.1 | 177.4 | -70.1 | 179.4 | 176.2 | 174.8 | 0 | 112.9 | E677 I678 | E677-K680 PolarHBondContact O-N 2.61Å; E677-K680 VanDerWaalsContact O-N 3.1Å; E677-K680 WeakPolarHBondContact OE1-CE 3.48Å; E677-K680 IonicContact OE1-NZ 3.85Å; E677-K680 PolarHBondContact OE1-NZ 3.04Å; I678-K680 PolarHBondContact O-N 2.86Å | ||
| 681 | I | 36.2 | Very low | 47.4 | Very low | 109 Ų | 109 | 104.1 Ų | 104.1 | 56% | 0.559 | 54% | 0.541 | S | S | * | . | trans | -125.6 | 124.2 | 165.1 | -60.2 | 179.3 | 0 | 0 | 0 | 109.1 | Y683 | I681-Y683 HydrophobicContact CB-CD2 4.15Å; I681-Y683 HydrophobicContact CB-CE2 3.77Å; I681-Y683 HydrophobicContact CG2-CD2 3.95Å; I681-Y683 HydrophobicContact CG2-CE1 4.48Å; I681-Y683 HydrophobicContact CG2-CE2 3.49Å; I681-Y683 VanDerWaalsContact CG2-CE2 3.49Å; I681-Y683 WeakPolarHBondContact O-CD2 3.12Å; I681-Y683 PolarHBondContact O-N 3.05Å | ||
| 682 | D | 31.6 | Very low | 45.4 | Very low | 159 Ų | 159 | 106.8 Ų | 106.8 | 85% | 0.85 | 54% | 0.544 | S | S | * | . | trans | -70 | 84.1 | -176.3 | -70.8 | -49.8 | 0 | 0 | 0 | 112.9 | N684 | D682-N684 VanDerWaalsContact C-N 3.34Å; D682-N684 PolarHBondContact O-N 2.81Å; D682-N684 VanDerWaalsContact O-N 3.11Å | ||
| 683 | Y | 38.2 | Very low | 43.3 | Very low | 166 Ų | 166 | 115.2 Ų | 115.2 | 65% | 0.651 | 58% | 0.575 | S | S | * | * | trans | -85.2 | 73.5 | 173 | -75.2 | -68.3 | 0 | 0 | 0 | 112.2 | I681 G685 | I681-Y683 HydrophobicContact CB-CD2 4.15Å; I681-Y683 HydrophobicContact CB-CE2 3.77Å; I681-Y683 HydrophobicContact CG2-CD2 3.95Å; I681-Y683 HydrophobicContact CG2-CE1 4.48Å; I681-Y683 HydrophobicContact CG2-CE2 3.49Å; I681-Y683 VanDerWaalsContact CG2-CE2 3.49Å; I681-Y683 WeakPolarHBondContact O-CD2 3.12Å; I681-Y683 PolarHBondContact O-N 3.05Å; Y683-G685 PolarHBondContact O-N 3.02Å | ||
| 684 | N | 30.9 | Very low | 41.4 | Very low | 175 Ų | 175 | 120.6 Ų | 120.6 | 94% | 0.936 | 59% | 0.59 | S | S | * | * | trans | -66.9 | 78.3 | 160 | -85.9 | -23.3 | 0 | 0 | 0 | 110 | D682 | D682-N684 VanDerWaalsContact C-N 3.34Å; D682-N684 PolarHBondContact O-N 2.81Å; D682-N684 VanDerWaalsContact O-N 3.11Å | ||
| 685 | G | 29.9 | Very low | 40.1 | Very low | 57 Ų | 57 | 118.4 Ų | 118.4 | 59% | 0.588 | 58% | 0.583 | S | S | * | * | trans | -174.1 | 118.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y683 | Y683-G685 PolarHBondContact O-N 3.02Š| ||
| 686 | G | 30 | Very low | 39.3 | Very low | 76 Ų | 76 | 119.6 Ų | 119.6 | 78% | 0.784 | 59% | 0.591 | S | S | * | * | trans | -67.1 | 164.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 687 | S | 29.8 | Very low | 38.6 | Very low | 106 Ų | 106 | 124.1 Ų | 124.1 | 74% | 0.741 | 62% | 0.615 | S | S | * | * | trans | 64.5 | 91.2 | 176.3 | -163.7 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 688 | N | 32.9 | Very low | 38.7 | Very low | 78 Ų | 78 | 125.4 Ų | 125.4 | 42% | 0.417 | 62% | 0.621 | S | S | . | * | 171.5 | 92 | 121.3 | -97.6 | -76.8 | 0 | 0 | 0 | 112.2 | R690 R691 R692 | N688-R690 PolarHBondContact O-N 2.71Å; N688-R690 VanDerWaalsContact O-N 3.13Å; N688-R691 HydrophobicContact CB-CB 4.04Å; N688-R691 HydrophobicContact CB-CG 3.92Å; N688-R691 PolarHBondContact O-N 2.95Å; N688-R692 PolarHBondContact O-N 3.18Å | |||
| 689 | N | 37.9 | Very low | 39.5 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 67% | 0.668 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -60.6 | -24 | 175.5 | -73.9 | -14.3 | 0 | 0 | 0 | 113.6 | R691 R693 | N689-R691 VanDerWaalsContact C-N 3.35Å; N689-R693 PolarHBondContact O-N 3.06Å |
| 690 | R | 35 | Very low | 40.7 | Very low | 214 Ų | 214 | 120.2 Ų | 120.2 | 81% | 0.808 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.8 | -23.1 | 173.1 | -68.3 | -177.2 | 179.8 | 173.6 | 0.4 | 113.6 | N688 | N688-R690 PolarHBondContact O-N 2.71Å; N688-R690 VanDerWaalsContact O-N 3.13Å |
| 691 | R | 30.6 | Very low | 42 | Very low | 187 Ų | 187 | 115.8 Ų | 115.8 | 71% | 0.706 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -78.8 | -42.8 | 173.8 | -75.5 | -176 | 177.9 | 171.9 | -0.7 | 111.3 | N688 N689 R694 S695 | N688-R691 HydrophobicContact CB-CB 4.04Å; N688-R691 HydrophobicContact CB-CG 3.92Å; N688-R691 PolarHBondContact O-N 2.95Å; N689-R691 VanDerWaalsContact C-N 3.35Å; R691-R694 PolarHBondContact O-N 3.3Å; R691-S695 PolarHBondContact O-N 3.34Å |
| 692 | R | 34.5 | Very low | 43.8 | Very low | 153 Ų | 153 | 113.7 Ų | 113.7 | 58% | 0.577 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -53.4 | -57.4 | 174.6 | -73.4 | -174.8 | 176 | 175.9 | -2.5 | 112 | N688 R694 S695 D696 | N688-R692 PolarHBondContact O-N 3.18Å; R692-R694 PolarHBondContact O-N 2.99Å; R692-R694 VanDerWaalsContact O-N 3.1Å; R692-S695 PolarHBondContact O-N 3.42Å; R692-S695 PolarHBondContact O-OG 3.27Å; R692-D696 PolarHBondContact O-N 3.29Å |
| 693 | R | 35 | Very low | 46.4 | Very low | 190 Ų | 190 | 106.4 Ų | 106.4 | 72% | 0.717 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -52 | -43.2 | 178.5 | -67.6 | -170.7 | -177.6 | -174.6 | 0.7 | 112.8 | N689 S695 D696 D697 | N689-R693 PolarHBondContact O-N 3.06Å; R693-S695 PolarHBondContact O-N 3.25Å; R693-D696 PolarHBondContact O-N 3.18Å; R693-D697 VanDerWaalsContact O-CB 3.29Å; R693-D697 WeakPolarHBondContact O-CB 3.28Å; R693-D697 PolarHBondContact O-N 3.04Å; R693-D697 VanDerWaalsContact O-OD2 3.04Å |
| 694 | R | 32.3 | Very low | 48.6 | Very low | 190 Ų | 190 | 99.2 Ų | 99.2 | 72% | 0.717 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.3 | -33.2 | 176.6 | -75.8 | -173.2 | 173.6 | -166.4 | -1.3 | 114.7 | R691 R692 Q698 | R691-R694 PolarHBondContact O-N 3.3Å; R692-R694 PolarHBondContact O-N 2.99Å; R692-R694 VanDerWaalsContact O-N 3.1Å; R694-Q698 VanDerWaalsContact O-CB 3.3Å; R694-Q698 WeakPolarHBondContact O-CB 3.27Å; R694-Q698 PolarHBondContact O-N 2.92Å |
| 695 | S | 42.1 | Very low | 50.9 | Low | 56 Ų | 56 | 92.7 Ų | 92.7 | 39% | 0.392 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -69.8 | -42.5 | 172.3 | 49.4 | 0 | 0 | 0 | 0 | 111.2 | R691 R692 R693 Q698 A699 | R691-S695 PolarHBondContact O-N 3.34Å; R692-S695 PolarHBondContact O-N 3.42Å; R692-S695 PolarHBondContact O-OG 3.27Å; R693-S695 PolarHBondContact O-N 3.25Å; S695-Q698 PolarHBondContact O-N 2.83Å; S695-A699 WeakPolarHBondContact O-CB 3.33Å; S695-A699 PolarHBondContact O-N 3.11Å |
| 696 | D | 53.4 | Low | 53.6 | Low | 76 Ų | 76 | 92.5 Ų | 92.5 | 41% | 0.406 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -69.6 | -43.3 | -174.4 | -47.7 | -16 | 0 | 0 | 0 | 110 | R692 R693 Q698 A699 N700 | R692-D696 PolarHBondContact O-N 3.29Å; R693-D696 PolarHBondContact O-N 3.18Å; D696-Q698 PolarHBondContact O-N 3.47Å; D696-A699 PolarHBondContact O-N 2.93Å; D696-N700 WeakPolarHBondContact O-CB 3.44Å; D696-N700 PolarHBondContact O-N 2.76Å; D696-N700 PolarHBondContact O-ND2 3Å |
| 697 | D | 56.6 | Low | 56.3 | Low | 102 Ų | 102 | 88.9 Ų | 88.9 | 55% | 0.545 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -58.8 | -44.1 | 172.1 | -68.9 | -29.4 | 0 | 0 | 0 | 111.7 | R693 N700 Y701 | R693-D697 VanDerWaalsContact O-CB 3.29Å; R693-D697 WeakPolarHBondContact O-CB 3.28Å; R693-D697 PolarHBondContact O-N 3.04Å; R693-D697 VanDerWaalsContact O-OD2 3.04Å; D697-N700 PolarHBondContact O-N 3.28Å; D697-Y701 WeakPolarHBondContact O-CB 3.23Å; D697-Y701 PolarHBondContact O-N 3.22Å |
| 698 | Q | 60.5 | Low | 59 | Low | 99 Ų | 99 | 84.1 Ų | 84.1 | 46% | 0.463 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -67.7 | -36 | 178.7 | -167.6 | 73.9 | 22 | 0 | 0 | 112.1 | R694 S695 D696 S702 | R694-Q698 VanDerWaalsContact O-CB 3.3Å; R694-Q698 WeakPolarHBondContact O-CB 3.27Å; R694-Q698 PolarHBondContact O-N 2.92Å; S695-Q698 PolarHBondContact O-N 2.83Å; D696-Q698 PolarHBondContact O-N 3.47Å; Q698-S702 WeakPolarHBondContact O-CB 3.19Å; Q698-S702 PolarHBondContact O-N 3.3Å |
| 699 | A | 66.3 | Low | 61.4 | Low | 9 Ų | 9 | 82.2 Ų | 82.2 | 7% | 0.074 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -69.9 | -44.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | I678 S695 D696 S702 R703 | I678-A699 HydrophobicContact CB-CB 4.49Å; I678-A699 HydrophobicContact CG2-CB 3.77Å; S695-A699 WeakPolarHBondContact O-CB 3.33Å; S695-A699 PolarHBondContact O-N 3.11Å; D696-A699 PolarHBondContact O-N 2.93Å; A699-S702 WeakPolarHBondContact O-CB 3.34Å; A699-S702 PolarHBondContact O-N 3.12Å; A699-R703 WeakPolarHBondContact O-CG 3.32Å; A699-R703 PolarHBondContact O-N 2.95Å |
| 700 | N | 70.5 | Confident | 63.8 | Low | 43 Ų | 43 | 77 Ų | 77 | 23% | 0.23 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -56.6 | -50.1 | 172.4 | -72.6 | -35.8 | 0 | 0 | 0 | 111.3 | D696 D697 S702 R703 L704 | D696-N700 WeakPolarHBondContact O-CB 3.44Å; D696-N700 PolarHBondContact O-N 2.76Å; D696-N700 PolarHBondContact O-ND2 3Å; D697-N700 PolarHBondContact O-N 3.28Å; N700-S702 VanDerWaalsContact C-N 3.33Å; N700-S702 PolarHBondContact O-N 3.37Å; N700-R703 PolarHBondContact O-N 2.78Å; N700-R703 PolarHBondContact OD1-NH1 2.8Å; N700-L704 WeakPolarHBondContact O-CB 3.37Å; N700-L704 PolarHBondContact O-N 3.05Å |
| 701 | Y | 68.2 | Low | 66.4 | Low | 61 Ų | 61 | 66.9 Ų | 66.9 | 24% | 0.239 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -54.5 | -47.4 | 175.1 | -179.5 | -68.9 | 0 | 0 | 0 | 111.6 | D697 L704 T705 I728 H729 P730 | D697-Y701 WeakPolarHBondContact O-CB 3.23Å; D697-Y701 PolarHBondContact O-N 3.22Å; Y701-L704 PolarHBondContact O-N 2.93Å; Y701-T705 WeakPolarHBondContact CD1-OG1 3.22Å; Y701-T705 WeakPolarHBondContact CE1-OG1 3.35Å; Y701-T705 VanDerWaalsContact O-CB 3.29Å; Y701-T705 WeakPolarHBondContact O-CB 3.4Å; Y701-T705 PolarHBondContact O-N 3.19Å; Y701-T705 PolarHBondContact O-OG1 3.05Å; Y701-I728 HydrophobicContact CD2-CG2 4.25Å; Y701-I728 HydrophobicContact CE2-CG2 3.27Å; Y701-I728 WeakPolarHBondContact OH-CG2 3.46Å; Y701-H729 PolarHBondContact OH-O 3.4Å; Y701-P730 WeakPolarHBondContact OH-CA 3.24Å |
| 702 | S | 73.5 | Confident | 69 | Low | 65 Ų | 65 | 59.6 Ų | 59.6 | 46% | 0.455 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -60.6 | -49.9 | 179.5 | -175.2 | 0 | 0 | 0 | 0 | 111.7 | Q698 A699 N700 L704 T705 N706 | Q698-S702 WeakPolarHBondContact O-CB 3.19Å; Q698-S702 PolarHBondContact O-N 3.3Å; A699-S702 WeakPolarHBondContact O-CB 3.34Å; A699-S702 PolarHBondContact O-N 3.12Å; N700-S702 VanDerWaalsContact C-N 3.33Å; N700-S702 PolarHBondContact O-N 3.37Å; S702-L704 PolarHBondContact O-N 3.31Å; S702-T705 PolarHBondContact O-N 2.97Å; S702-N706 PolarHBondContact O-N 2.96Å |
| 703 | R | 85.2 | Confident | 71.4 | Confident | 7 Ų | 7 | 58.3 Ų | 58.3 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60.2 | -43.5 | 178.2 | -69.7 | -172.3 | -120.2 | 102.4 | -3.9 | 112.1 | C653 L658 Q675 D679 A699 N700 A707 | C653-R703 WeakPolarHBondContact O-CB 3.4Å; C653-R703 PolarHBondContact O-NH1 3.13Å; L658-R703 HydrophobicContact CD1-CB 3.91Å; L658-R703 HydrophobicContact CD1-CG 4.11Å; Q675-R703 VanDerWaalsContact O-CD 3.28Å; Q675-R703 WeakPolarHBondContact O-CD 3.32Å; D679-R703 IonicContact OD1-CZ 3.17Å; D679-R703 IonicContact OD1-NH2 2.75Å; D679-R703 PolarHBondContact OD1-NH2 3.21Å; D679-R703 IonicContact OD2-NH2 3.35Å; A699-R703 WeakPolarHBondContact O-CG 3.32Å; A699-R703 PolarHBondContact O-N 2.95Å; N700-R703 PolarHBondContact O-N 2.78Å; N700-R703 PolarHBondContact OD1-NH1 2.8Å; R703-A707 WeakPolarHBondContact O-CB 3.4Å; R703-A707 PolarHBondContact O-N 2.87Å; R703-A707 VanDerWaalsContact O-N 3.09Å |
| 704 | L | 84.5 | Confident | 73.9 | Confident | 15 Ų | 15 | 54.1 Ų | 54.1 | 8% | 0.079 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.6 | -46.1 | 177.2 | 178.8 | 61.6 | 0 | 0 | 0 | 111.9 | L657 N700 Y701 S702 N706 A707 C708 W754 | L657-L704 HydrophobicContact CD1-CD1 3.89Å; N700-L704 WeakPolarHBondContact O-CB 3.37Å; N700-L704 PolarHBondContact O-N 3.05Å; Y701-L704 PolarHBondContact O-N 2.93Å; S702-L704 PolarHBondContact O-N 3.31Å; L704-N706 VanDerWaalsContact C-N 3.33Å; L704-N706 PolarHBondContact O-N 2.77Å; L704-A707 PolarHBondContact O-N 3.15Å; L704-C708 PolarHBondContact O-N 3.1Å; L704-C708 PolarHBondContact O-SG 3.17Å; L704-W754 HydrophobicContact CD1-CH2 4.05Å |
| 705 | T | 79.8 | Confident | 76.5 | Confident | 37 Ų | 37 | 45.9 Ų | 45.9 | 23% | 0.227 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.7 | -44.6 | 178.8 | -58 | 0 | 0 | 0 | 0 | 111.1 | Y701 S702 T709 I745 | Y701-T705 WeakPolarHBondContact CD1-OG1 3.22Å; Y701-T705 WeakPolarHBondContact CE1-OG1 3.35Å; Y701-T705 VanDerWaalsContact O-CB 3.29Å; Y701-T705 WeakPolarHBondContact O-CB 3.4Å; Y701-T705 PolarHBondContact O-N 3.19Å; Y701-T705 PolarHBondContact O-OG1 3.05Å; S702-T705 PolarHBondContact O-N 2.97Å; T705-T709 WeakPolarHBondContact O-CB 3.2Å; T705-T709 PolarHBondContact O-N 3.27Å; T705-T709 PolarHBondContact O-OG1 2.84Å; T705-I745 HydrophobicContact CG2-CD1 3.52Å |
| 706 | N | 86.3 | Confident | 78.5 | Confident | 53 Ų | 53 | 48 Ų | 48 | 28% | 0.283 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.9 | -48.8 | 175.6 | -171.9 | 32.7 | 0 | 0 | 0 | 111.6 | L658 Q675 S702 L704 C708 T709 L710 | L658-N706 HydrophobicContact CD2-CB 4.46Å; Q675-N706 PolarHBondContact OE1-ND2 3.32Å; S702-N706 PolarHBondContact O-N 2.96Å; L704-N706 VanDerWaalsContact C-N 3.33Å; L704-N706 PolarHBondContact O-N 2.77Å; N706-C708 PolarHBondContact O-N 3.03Å; N706-T709 WeakPolarHBondContact O-CB 3.23Å; N706-T709 PolarHBondContact O-N 3.06Å; N706-T709 VanDerWaalsContact O-N 3.17Å; N706-L710 WeakPolarHBondContact O-CG 3.49Å; N706-L710 PolarHBondContact O-N 2.87Å |
| 707 | A | 88.2 | Confident | 80 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.3 | -44.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | L657 L658 I661 R703 L704 T709 L710 L711 | L657-A707 HydrophobicContact CB-CB 3.58Å; L657-A707 HydrophobicContact CD1-CB 4.2Å; L658-A707 HydrophobicContact CD2-CB 3.84Å; L658-A707 HydrophobicContact CG-CB 4.1Å; I661-A707 HydrophobicContact CD1-CB 4.1Å; R703-A707 WeakPolarHBondContact O-CB 3.4Å; R703-A707 PolarHBondContact O-N 2.87Å; R703-A707 VanDerWaalsContact O-N 3.09Å; L704-A707 PolarHBondContact O-N 3.15Å; A707-T709 VanDerWaalsContact C-N 3.34Å; A707-T709 PolarHBondContact O-N 3.2Å; A707-L710 PolarHBondContact O-N 2.64Å; A707-L711 WeakPolarHBondContact O-CB 3.41Å; A707-L711 WeakPolarHBondContact O-CD1 3.09Å; A707-L711 VanDerWaalsContact O-CG 3.23Å; A707-L711 WeakPolarHBondContact O-CG 3.43Å; A707-L711 PolarHBondContact O-N 2.92Å |
| 708 | C | 86.4 | Confident | 81 | Confident | 7 Ų | 7 | 43.9 Ų | 43.9 | 5% | 0.047 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -67.1 | -33.4 | 177.2 | -69.4 | 0 | 0 | 0 | 0 | 112.8 | L704 N706 S712 I745 Y757 | L704-C708 PolarHBondContact O-N 3.1Å; L704-C708 PolarHBondContact O-SG 3.17Å; N706-C708 PolarHBondContact O-N 3.03Å; C708-S712 WeakPolarHBondContact O-CB 3.29Å; C708-S712 PolarHBondContact O-N 3.34Å; C708-I745 HydrophobicContact CB-CG2 3.58Å; C708-Y757 PolarHBondContact SG-OH 3.06Å |
| 709 | T | 83.3 | Confident | 81.3 | Confident | 37 Ų | 37 | 40.3 Ų | 40.3 | 23% | 0.227 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.4 | -52.5 | 172.5 | -53.7 | 0 | 0 | 0 | 0 | 110.5 | T705 N706 A707 L711 S712 E713 I745 | T705-T709 WeakPolarHBondContact O-CB 3.2Å; T705-T709 PolarHBondContact O-N 3.27Å; T705-T709 PolarHBondContact O-OG1 2.84Å; N706-T709 WeakPolarHBondContact O-CB 3.23Å; N706-T709 PolarHBondContact O-N 3.06Å; N706-T709 VanDerWaalsContact O-N 3.17Å; A707-T709 VanDerWaalsContact C-N 3.34Å; A707-T709 PolarHBondContact O-N 3.2Å; T709-L711 VanDerWaalsContact C-N 3.31Å; T709-L711 PolarHBondContact O-N 3.46Å; T709-S712 WeakPolarHBondContact O-CB 3.46Å; T709-S712 PolarHBondContact O-N 3.28Å; T709-S712 VanDerWaalsContact O-N 3.12Å; T709-E713 HydrophobicContact CG2-CG 4.32Å; T709-E713 WeakPolarHBondContact O-CG 3.22Å; T709-E713 PolarHBondContact O-N 3.26Å; T709-I745 WeakPolarHBondContact OG1-CD1 3.25Å |
| 710 | L | 88.3 | Confident | 80.7 | Confident | 15 Ų | 15 | 46.9 Ų | 46.9 | 8% | 0.079 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60 | -39.2 | 179.1 | -69 | 169.3 | 0 | 0 | 0 | 112.3 | L658 I661 L668 L669 N706 A707 H714 F715 | L658-L710 HydrophobicContact CD2-CD1 4.37Å; I661-L710 HydrophobicContact CD1-CB 4.02Å; I661-L710 HydrophobicContact CD1-CD1 4.32Å; I661-L710 HydrophobicContact CG2-CD1 4.49Å; L668-L710 HydrophobicContact CB-CD2 4.49Å; L669-L710 HydrophobicContact CD1-CD1 4.23Å; L669-L710 HydrophobicContact CD2-CD1 3.67Å; L669-L710 HydrophobicContact CG-CD1 4.01Å; N706-L710 WeakPolarHBondContact O-CG 3.49Å; N706-L710 PolarHBondContact O-N 2.87Å; A707-L710 PolarHBondContact O-N 2.64Å; L710-H714 WeakPolarHBondContact O-CB 3.44Å; L710-H714 PolarHBondContact O-N 3.37Å; L710-F715 WeakPolarHBondContact O-CD2 3.3Å |
| 711 | L | 89.2 | Confident | 79.7 | Confident | 2 Ų | 2 | 49.3 Ų | 49.3 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 175.4 | -73.4 | 167.6 | 0 | 0 | 0 | 112.7 | L657 I661 A707 T709 F715 S716 I717 Y757 I761 F765 | L657-L711 HydrophobicContact CD1-CD1 4.48Å; L657-L711 HydrophobicContact CD2-CD1 4.48Å; I661-L711 HydrophobicContact CD1-CD2 4.43Å; I661-L711 HydrophobicContact CD1-CG 4.07Å; I661-L711 HydrophobicContact CG1-CD2 4.17Å; I661-L711 HydrophobicContact CG1-CG 4.36Å; A707-L711 WeakPolarHBondContact O-CB 3.41Å; A707-L711 WeakPolarHBondContact O-CD1 3.09Å; A707-L711 VanDerWaalsContact O-CG 3.23Å; A707-L711 WeakPolarHBondContact O-CG 3.43Å; A707-L711 PolarHBondContact O-N 2.92Å; T709-L711 VanDerWaalsContact C-N 3.31Å; T709-L711 PolarHBondContact O-N 3.46Å; L711-F715 HydrophobicContact CD2-CD2 4.28Å; L711-F715 CarbonylContact O-C 3.48Å; L711-F715 WeakPolarHBondContact O-CB 3.33Å; L711-F715 PolarHBondContact O-N 3.27Å; L711-S716 PolarHBondContact O-N 2.64Å; L711-I717 HydrophobicContact CB-CB 4.27Å; L711-I717 HydrophobicContact CD2-CD1 3.74Å; L711-I717 PolarHBondContact O-N 3.3Å; L711-Y757 HydrophobicContact CD1-CE1 4.43Å; L711-Y757 WeakPolarHBondContact CD1-OH 3.18Å; L711-I761 HydrophobicContact CD1-CD1 3.98Å; L711-I761 HydrophobicContact CD1-CG1 4.36Å; L711-I761 HydrophobicContact CD2-CG1 4.38Å; L711-F765 HydrophobicContact CD2-CE2 3.68Å; L711-F765 HydrophobicContact CD2-CZ 3.67Å |
| 712 | S | 84.6 | Confident | 78.4 | Confident | 35 Ų | 35 | 55.4 Ų | 55.4 | 25% | 0.245 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -67.5 | -51.6 | 174 | -175.9 | 0 | 0 | 0 | 0 | 111.6 | C708 T709 S716 N718 | C708-S712 WeakPolarHBondContact O-CB 3.29Å; C708-S712 PolarHBondContact O-N 3.34Å; T709-S712 WeakPolarHBondContact O-CB 3.46Å; T709-S712 PolarHBondContact O-N 3.28Å; T709-S712 VanDerWaalsContact O-N 3.12Å; S712-S716 WeakPolarHBondContact O-CA 3.42Å; S712-S716 PolarHBondContact O-N 2.85Å; S712-N718 WeakPolarHBondContact CB-OD1 3.36Å; S712-N718 PolarHBondContact OG-OD1 2.78Å |
| 713 | E | 84.8 | Confident | 76.7 | Confident | 125 Ų | 125 | 57.8 Ų | 57.8 | 58% | 0.584 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -77.9 | -39.6 | -168.6 | -67.2 | -175.9 | 158.1 | 0 | 0 | 113.8 | T709 | T709-E713 HydrophobicContact CG2-CG 4.32Å; T709-E713 WeakPolarHBondContact O-CG 3.22Å; T709-E713 PolarHBondContact O-N 3.26Å |
| 714 | H | 86.8 | Confident | 74.3 | Confident | 103 Ų | 103 | 63.2 Ų | 63.2 | 48% | 0.477 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -102.2 | -15.1 | -175.4 | -65.7 | -71.8 | 0 | 0 | 0 | 115 | L668 L710 | L668-H714 HydrophobicContact CD1-CB 3.69Å; L710-H714 WeakPolarHBondContact O-CB 3.44Å; L710-H714 PolarHBondContact O-N 3.37Å |
| 715 | F | 87 | Confident | 72 | Confident | 17 Ų | 17 | 63.7 Ų | 63.7 | 8% | 0.075 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -128.6 | -1.8 | -175.3 | -54.2 | -92 | 0 | 0 | 0 | 113.6 | I661 R665 L668 L710 L711 I717 V764 F765 L768 | I661-F715 HydrophobicContact CG1-CE2 4.48Å; I661-F715 HydrophobicContact CG2-CE2 4.07Å; I661-F715 HydrophobicContact CG2-CZ 4.29Å; R665-F715 HydrophobicContact CB-CZ 4.06Å; R665-F715 HydrophobicContact CG-CE1 3.91Å; R665-F715 HydrophobicContact CG-CZ 3.64Å; L668-F715 HydrophobicContact CD1-CE2 3.9Å; L668-F715 HydrophobicContact CD1-CZ 4.1Å; L710-F715 WeakPolarHBondContact O-CD2 3.3Å; L711-F715 HydrophobicContact CD2-CD2 4.28Å; L711-F715 CarbonylContact O-C 3.48Å; L711-F715 WeakPolarHBondContact O-CB 3.33Å; L711-F715 PolarHBondContact O-N 3.27Å; F715-I717 HydrophobicContact CB-CD1 3.63Å; F715-I717 HydrophobicContact CB-CG1 4.03Å; F715-I717 HydrophobicContact CG-CD1 4.46Å; F715-I717 PolarHBondContact O-N 2.91Å; F715-I717 VanDerWaalsContact O-N 3.16Å; F715-V764 HydrophobicContact CB-CG1 4.31Å; F715-F765 HydrophobicContact CB-CE2 4.17Å; F715-F765 HydrophobicContact CD1-CD2 4.19Å; F715-F765 AromaticContact CD1-CE2 3.42Å; F715-F765 HydrophobicContact CD1-CE2 3.42Å; F715-F765 VanDerWaalsContact CD1-CE2 3.42Å; F715-F765 AromaticContact CD1-CZ 3.77Å; F715-F765 HydrophobicContact CD1-CZ 3.77Å; F715-F765 HydrophobicContact CD2-CE2 4.18Å; F715-F765 HydrophobicContact CD2-CZ 4.14Å; F715-F765 HydrophobicContact CE1-CE1 4.26Å; F715-F765 AromaticContact CE1-CE2 3.7Å; F715-F765 HydrophobicContact CE1-CE2 3.7Å; F715-F765 AromaticContact CE1-CZ 3.55Å; F715-F765 HydrophobicContact CE1-CZ 3.55Å; F715-F765 HydrophobicContact CE2-CE2 4.42Å; F715-F765 AromaticContact CE2-CZ 3.96Å; F715-F765 HydrophobicContact CE2-CZ 3.96Å; F715-F765 AromaticContact CG-CE2 3.67Å; F715-F765 HydrophobicContact CG-CE2 3.67Å; F715-F765 HydrophobicContact CG-CZ 4.05Å; F715-F765 HydrophobicContact CZ-CE1 4.36Å; F715-F765 HydrophobicContact CZ-CE2 4.19Å; F715-F765 AromaticContact CZ-CZ 3.64Å; F715-F765 HydrophobicContact CZ-CZ 3.64Å; F715-L768 HydrophobicContact CD1-CD1 3.83Å; F715-L768 HydrophobicContact CE1-CD1 3.59Å |
| 716 | S | 85.1 | Confident | 70.1 | Confident | 99 Ų | 99 | 70 Ų | 70 | 69% | 0.692 | 37% | 0.367 | S | S | * | . | trans | 59.2 | 17.5 | -177 | -53.8 | 0 | 0 | 0 | 0 | 115.1 | L711 S712 N718 | L711-S716 PolarHBondContact O-N 2.64Å; S712-S716 WeakPolarHBondContact O-CA 3.42Å; S712-S716 PolarHBondContact O-N 2.85Å; S716-N718 PolarHBondContact O-N 3.01Å; S716-N718 PolarHBondContact O-ND2 2.96Å | ||
| 717 | I | 83.8 | Confident | 67.6 | Low | 7 Ų | 7 | 71.4 Ų | 71.4 | 4% | 0.036 | 37% | 0.373 | C | S | . | . | trans | -83.8 | 101.8 | -179.7 | -61.4 | 157.8 | 0 | 0 | 0 | 108.6 | L711 F715 Y757 N760 I761 V764 F765 | L711-I717 HydrophobicContact CB-CB 4.27Å; L711-I717 HydrophobicContact CD2-CD1 3.74Å; L711-I717 PolarHBondContact O-N 3.3Å; F715-I717 HydrophobicContact CB-CD1 3.63Å; F715-I717 HydrophobicContact CB-CG1 4.03Å; F715-I717 HydrophobicContact CG-CD1 4.46Å; F715-I717 PolarHBondContact O-N 2.91Å; F715-I717 VanDerWaalsContact O-N 3.16Å; I717-Y757 HydrophobicContact CG2-CD2 4.38Å; I717-Y757 HydrophobicContact CG2-CE2 3.86Å; I717-N760 HydrophobicContact CG2-CB 4.43Å; I717-I761 HydrophobicContact CD1-CG1 4.2Å; I717-I761 HydrophobicContact CG2-CG1 3.97Å; I717-V764 HydrophobicContact CD1-CB 3.98Å; I717-V764 HydrophobicContact CD1-CG1 4.17Å; I717-V764 HydrophobicContact CD1-CG2 4.24Å; I717-V764 HydrophobicContact CG1-CB 4.17Å; I717-V764 HydrophobicContact CG1-CG1 4.44Å; I717-V764 HydrophobicContact CG1-CG2 3.86Å; I717-F765 HydrophobicContact CD1-CD2 3.95Å; I717-F765 HydrophobicContact CD1-CE2 3.62Å | ||
| 718 | N | 77.8 | Confident | 65.4 | Low | 85 Ų | 85 | 73.9 Ų | 73.9 | 46% | 0.455 | 39% | 0.386 | S | S | . | . | trans | -113.4 | 146.8 | 177.3 | -66.4 | -78.4 | 0 | 0 | 0 | 110.5 | S712 S716 | S712-N718 WeakPolarHBondContact CB-OD1 3.36Å; S712-N718 PolarHBondContact OG-OD1 2.78Å; S716-N718 PolarHBondContact O-N 3.01Å; S716-N718 PolarHBondContact O-ND2 2.96Å | ||
| 719 | F | 67 | Low | 62.9 | Low | 25 Ų | 25 | 80.5 Ų | 80.5 | 11% | 0.11 | 42% | 0.415 | C | S | . | . | trans | -85.1 | 111 | 171.9 | -175.8 | -97.4 | 0 | 0 | 0 | 109.9 | V746 P748 D753 Y757 | F719-V746 HydrophobicContact CD1-CG1 3.81Å; F719-V746 HydrophobicContact CE1-CG1 4.39Å; F719-P748 HydrophobicContact CD2-CB 4.43Å; F719-P748 HydrophobicContact CD2-CG 4.02Å; F719-P748 HydrophobicContact CE2-CB 4.16Å; F719-P748 HydrophobicContact CE2-CG 4.24Å; F719-D753 HydrophobicContact CE2-CB 3.7Å; F719-D753 HydrophobicContact CZ-CB 3.67Å; F719-Y757 HydrophobicContact CB-CD2 4.18Å; F719-Y757 HydrophobicContact CB-CE2 4.34Å; F719-Y757 HydrophobicContact CD2-CD2 4.21Å | ||
| 720 | N | 53.9 | Low | 60.4 | Low | 146 Ų | 146 | 83.2 Ų | 83.2 | 78% | 0.781 | 43% | 0.434 | S | S | * | . | trans | -84 | 125.1 | 176.7 | -87.6 | -21 | 0 | 0 | 0 | 110.6 | ||||
| 721 | L | 49.3 | Very low | 57.8 | Low | 95 Ų | 95 | 88.1 Ų | 88.1 | 50% | 0.497 | 46% | 0.459 | S | S | . | . | trans | -65.4 | 138.8 | 179.9 | -75.2 | 73.1 | 0 | 0 | 0 | 112.2 | S725 V746 | L721-S725 VanDerWaalsContact CD2-OG 3.22Å; L721-S725 WeakPolarHBondContact CD2-OG 3.32Å; L721-S725 WeakPolarHBondContact CG-OG 3.15Å; L721-V746 HydrophobicContact CD1-CG1 4.18Å; L721-V746 HydrophobicContact CD1-CG2 4.33Å | ||
| 722 | K | 41.5 | Very low | 54.9 | Low | 189 Ų | 189 | 96.8 Ų | 96.8 | 82% | 0.822 | 50% | 0.499 | S | S | * | . | trans | -112.7 | 122.5 | 140.7 | -73.1 | -175.6 | 176.6 | -178.6 | 0 | 107.8 | D724 | K722-D724 VanDerWaalsContact C-N 3.3Å; K722-D724 PolarHBondContact O-N 3.45Å | ||
| 723 | S | 37.2 | Very low | 52.2 | Low | 114 Ų | 114 | 103.4 Ų | 103.4 | 80% | 0.797 | 53% | 0.526 | S | S | * | . | S | Bend | trans | 47.1 | -61.3 | 169.9 | -53.6 | 0 | 0 | 0 | 0 | 119.5 | ||
| 724 | D | 34.8 | Very low | 49.3 | Very low | 122 Ų | 122 | 103.4 Ų | 103.4 | 65% | 0.652 | 54% | 0.539 | S | S | * | . | trans | -121.8 | 38.6 | -150.9 | -66.6 | -70.9 | 0 | 0 | 0 | 114.8 | K722 K749 | K722-D724 VanDerWaalsContact C-N 3.3Å; K722-D724 PolarHBondContact O-N 3.45Å; D724-K749 WeakPolarHBondContact O-CD 3.4Å; D724-K749 WeakPolarHBondContact O-CE 3.36Å; D724-K749 PolarHBondContact O-NZ 2.82Å | ||
| 725 | S | 36.9 | Very low | 46.5 | Very low | 25 Ų | 25 | 106.8 Ų | 106.8 | 18% | 0.175 | 55% | 0.554 | C | S | . | * | trans | -78.1 | 148.6 | 178.5 | 62.9 | 0 | 0 | 0 | 0 | 114 | L721 | L721-S725 VanDerWaalsContact CD2-OG 3.22Å; L721-S725 WeakPolarHBondContact CD2-OG 3.32Å; L721-S725 WeakPolarHBondContact CG-OG 3.15Å | ||
| 726 | Y | 40.4 | Very low | 43.6 | Very low | 169 Ų | 169 | 109.7 Ų | 109.7 | 66% | 0.663 | 57% | 0.573 | S | S | * | * | trans | -79.7 | 125.8 | 170.7 | -89.6 | -51.4 | 0 | 0 | 0 | 109.6 | I728 K749 | Y726-I728 PolarHBondContact O-N 3.44Å; Y726-K749 HydrophobicContact CD2-CD 3.9Å; Y726-K749 HydrophobicContact CD2-CG 3.9Å; Y726-K749 HydrophobicContact CE2-CD 4.27Å; Y726-K749 HydrophobicContact CG-CD 4.39Å; Y726-K749 HydrophobicContact CG-CG 4.41Å; Y726-K749 VanDerWaalsContact N-CE 3.28Å | ||
| 727 | M | 33.2 | Very low | 40.9 | Very low | 82 Ų | 82 | 113 Ų | 113 | 40% | 0.404 | 58% | 0.581 | S | S | . | * | trans | -69.2 | 110.3 | 163.8 | -73.9 | -62.9 | 109.2 | 0 | 0 | 108.8 | H729 V746 | M727-H729 VanDerWaalsContact C-N 3.31Å; M727-H729 PolarHBondContact O-N 2.88Å; M727-V746 HydrophobicContact CE-CG1 4.44Å; M727-V746 HydrophobicContact CE-CG2 3.75Å | ||
| 728 | I | 41.9 | Very low | 38.2 | Very low | 53 Ų | 53 | 116 Ų | 116 | 27% | 0.272 | 62% | 0.615 | S | S | . | * | trans | -76.4 | 89 | 173.8 | -52.7 | -169.1 | 0 | 0 | 0 | 108.3 | Y701 Y726 C747 | Y701-I728 HydrophobicContact CD2-CG2 4.25Å; Y701-I728 HydrophobicContact CE2-CG2 3.27Å; Y701-I728 WeakPolarHBondContact OH-CG2 3.46Å; Y726-I728 PolarHBondContact O-N 3.44Å; I728-C747 HydrophobicContact CD1-CB 3.62Å | ||
| 729 | H | 33.5 | Very low | 35.7 | Very low | 145 Ų | 145 | 123 Ų | 123 | 67% | 0.671 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 134.9 | 168.9 | -80 | -88.8 | 0 | 0 | 0 | 110.1 | Y701 M727 I731 | Y701-H729 PolarHBondContact OH-O 3.4Å; M727-H729 VanDerWaalsContact C-N 3.31Å; M727-H729 PolarHBondContact O-N 2.88Å; H729-I731 PolarHBondContact O-N 2.86Å |
| 730 | P | 31.6 | Very low | 33.9 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 61% | 0.61 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 126.7 | 169 | 27.2 | -33.3 | 0 | 0 | 0 | 109.5 | Y701 Q732 | Y701-P730 WeakPolarHBondContact OH-CA 3.24Å; P730-Q732 PolarHBondContact O-N 2.7Å |
| 731 | I | 33.3 | Very low | 32.9 | Very low | 118 Ų | 118 | 131 Ų | 131 | 61% | 0.605 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 121.2 | -176.9 | -63.4 | 175.4 | 0 | 0 | 0 | 109.6 | H729 H733 | H729-I731 PolarHBondContact O-N 2.86Å; I731-H733 PolarHBondContact O-N 3.27Å |
| 732 | Q | 27.5 | Very low | 32.1 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.864 | 69% | 0.692 | S | S | * | * | trans | -71.9 | 86.3 | -173.8 | -66.1 | 177.4 | -60.1 | 0 | 0 | 112.1 | P730 | P730-Q732 PolarHBondContact O-N 2.7Š| ||
| 733 | H | 28.1 | Very low | 31.9 | Very low | 173 Ų | 173 | 135.3 Ų | 135.3 | 80% | 0.801 | 69% | 0.689 | S | S | * | * | trans | -137.6 | 45.5 | 173.3 | -104.3 | 32.4 | 0 | 0 | 0 | 114.1 | I731 | I731-H733 PolarHBondContact O-N 3.27Š| ||
| 734 | C | 25.7 | Very low | 32.1 | Very low | 126 Ų | 126 | 133.4 Ų | 133.4 | 85% | 0.851 | 68% | 0.676 | S | S | * | * | trans | -150.9 | 136 | 147.6 | -158.9 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 735 | H | 26.3 | Very low | 32.7 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 81% | 0.806 | 66% | 0.656 | S | S | * | * | trans | -90.7 | 156 | 175 | -82.4 | -98.1 | 0 | 0 | 0 | 111.2 | ||||
| 736 | T | 26.7 | Very low | 33.5 | Very low | 78 Ų | 78 | 130.1 Ų | 130.1 | 48% | 0.479 | 66% | 0.657 | S | S | . | * | trans | 85.3 | 141.8 | 167.9 | -19.1 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 737 | I | 27.7 | Very low | 34.3 | Very low | 167 Ų | 167 | 122.5 Ų | 122.5 | 86% | 0.856 | 63% | 0.628 | S | S | * | * | trans | 75.4 | 114.9 | 168.6 | -45.9 | -179 | 0 | 0 | 0 | 118.2 | ||||
| 738 | G | 27.4 | Very low | 35.9 | Very low | 72 Ų | 72 | 119.1 Ų | 119.1 | 74% | 0.742 | 61% | 0.612 | S | S | * | * | trans | 90.4 | 98.5 | 138.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 739 | Y | 25.9 | Very low | 37 | Very low | 231 Ų | 231 | 120.7 Ų | 120.7 | 91% | 0.906 | 62% | 0.617 | S | S | * | * | trans | -71.4 | 131.5 | 164.9 | -95.7 | -104.5 | 0 | 0 | 0 | 111.6 | ||||
| 740 | N | 29.2 | Very low | 38.6 | Very low | 145 Ų | 145 | 115.8 Ų | 115.8 | 78% | 0.775 | 60% | 0.599 | S | S | * | * | trans | -155.5 | 150.7 | 144.1 | -110.2 | -33.7 | 0 | 0 | 0 | 110.3 | K742 | N740-K742 PolarHBondContact O-N 3.29Š| ||
| 741 | Q | 32.5 | Very low | 40.4 | Very low | 193 Ų | 193 | 115.7 Ų | 115.7 | 90% | 0.902 | 59% | 0.593 | S | S | * | * | trans | -72.2 | 88.5 | -162.1 | -64.9 | 177.2 | -5.5 | 0 | 0 | 113.8 | K743 | Q741-K743 PolarHBondContact O-N 2.85Š| ||
| 742 | K | 32.6 | Very low | 42.1 | Very low | 203 Ų | 203 | 113.4 Ų | 113.4 | 88% | 0.883 | 59% | 0.588 | S | S | * | * | trans | -77.8 | 114.5 | 165.3 | -69.4 | -172 | 176.5 | -177.1 | 0 | 109.6 | N740 S744 | N740-K742 PolarHBondContact O-N 3.29Å; K742-S744 PolarHBondContact O-N 2.94Å | ||
| 743 | K | 38.2 | Very low | 44.3 | Very low | 172 Ų | 172 | 106.5 Ų | 106.5 | 75% | 0.748 | 56% | 0.557 | S | S | * | * | trans | -52.9 | 133.9 | 177 | -64.6 | 172.6 | -177.8 | 167.6 | 0 | 110.2 | Q741 I745 | Q741-K743 PolarHBondContact O-N 2.85Å; K743-I745 PolarHBondContact O-N 2.91Å | ||
| 744 | S | 39.7 | Very low | 47 | Very low | 75 Ų | 75 | 98.4 Ų | 98.4 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | trans | -68.5 | 126.7 | 169.9 | 47 | 0 | 0 | 0 | 0 | 109.7 | K742 | K742-S744 PolarHBondContact O-N 2.94Š| ||
| 745 | I | 49.4 | Very low | 49.5 | Very low | 46 Ų | 46 | 94.7 Ų | 94.7 | 24% | 0.236 | 49% | 0.491 | C | S | . | . | trans | -92.3 | 109.4 | -180 | -71.1 | 157.1 | 0 | 0 | 0 | 107.7 | T705 C708 T709 K743 C747 | T705-I745 HydrophobicContact CG2-CD1 3.52Å; C708-I745 HydrophobicContact CB-CG2 3.58Å; T709-I745 WeakPolarHBondContact OG1-CD1 3.25Å; K743-I745 PolarHBondContact O-N 2.91Å; I745-C747 PolarHBondContact O-N 3.08Å | ||
| 746 | V | 53.3 | Low | 52 | Low | 31 Ų | 31 | 90.8 Ų | 90.8 | 19% | 0.188 | 48% | 0.475 | C | S | . | . | trans | -84.9 | 111.7 | -179.4 | -169 | 0 | 0 | 0 | 0 | 108.4 | F719 L721 M727 | F719-V746 HydrophobicContact CD1-CG1 3.81Å; F719-V746 HydrophobicContact CE1-CG1 4.39Å; L721-V746 HydrophobicContact CD1-CG1 4.18Å; L721-V746 HydrophobicContact CD1-CG2 4.33Å; M727-V746 HydrophobicContact CE-CG1 4.44Å; M727-V746 HydrophobicContact CE-CG2 3.75Å | ||
| 747 | C | 57.6 | Low | 54.9 | Low | 10 Ų | 10 | 87.4 Ų | 87.4 | 7% | 0.068 | 45% | 0.453 | C | S | . | . | trans | -97.3 | 159.6 | 172.2 | -60.8 | 0 | 0 | 0 | 0 | 111.3 | I728 I745 | I728-C747 HydrophobicContact CD1-CB 3.62Å; I745-C747 PolarHBondContact O-N 3.08Å | ||
| 748 | P | 66.8 | Low | 57.8 | Low | 11 Ų | 11 | 79.4 Ų | 79.4 | 7% | 0.071 | 41% | 0.412 | C | S | . | . | trans | -63.6 | 137.4 | 178.7 | -20.5 | 33.9 | 0 | 0 | 0 | 112.7 | F719 D753 W754 Y757 | F719-P748 HydrophobicContact CD2-CB 4.43Å; F719-P748 HydrophobicContact CD2-CG 4.02Å; F719-P748 HydrophobicContact CE2-CB 4.16Å; F719-P748 HydrophobicContact CE2-CG 4.24Å; P748-D753 HydrophobicContact CB-CB 3.53Å; P748-W754 HydrophobicContact CB-CB 4.37Å; P748-W754 HydrophobicContact CB-CD2 3.85Å; P748-W754 HydrophobicContact CB-CG 3.74Å; P748-W754 HydrophobicContact CG-CD2 3.91Å; P748-W754 HydrophobicContact CG-CE3 4.12Å; P748-W754 HydrophobicContact CG-CG 4.26Å; P748-W754 HydrophobicContact CG-CZ2 4.4Å; P748-W754 HydrophobicContact CG-CZ3 4.45Å; P748-W754 PolarHBondContact O-NE1 2.93Å; P748-Y757 HydrophobicContact CG-CD1 3.76Å; P748-Y757 HydrophobicContact CG-CD2 4.49Å; P748-Y757 HydrophobicContact CG-CG 3.72Å | ||
| 749 | K | 63.9 | Low | 60.6 | Low | 85 Ų | 85 | 80.3 Ų | 80.3 | 37% | 0.37 | 39% | 0.394 | S | S | . | . | trans | -85.4 | -61.5 | 175.1 | -94.5 | -158.9 | -173.7 | 172.1 | 0 | 111.8 | D724 Y726 D753 | D724-K749 WeakPolarHBondContact O-CD 3.4Å; D724-K749 WeakPolarHBondContact O-CE 3.36Å; D724-K749 PolarHBondContact O-NZ 2.82Å; Y726-K749 HydrophobicContact CD2-CD 3.9Å; Y726-K749 HydrophobicContact CD2-CG 3.9Å; Y726-K749 HydrophobicContact CE2-CD 4.27Å; Y726-K749 HydrophobicContact CG-CD 4.39Å; Y726-K749 HydrophobicContact CG-CG 4.41Å; Y726-K749 VanDerWaalsContact N-CE 3.28Å; K749-D753 PolarHBondContact N-OD2 3.34Å | ||
| 750 | S | 66.5 | Low | 63.4 | Low | 43 Ų | 43 | 72.4 Ų | 72.4 | 30% | 0.301 | 37% | 0.367 | S | S | . | . | S | Bend | trans | -90.9 | 164.9 | -168.2 | 66.4 | 0 | 0 | 0 | 0 | 112.1 | S752 D753 W754 | S750-S752 PolarHBondContact O-N 2.92Å; S750-S752 PolarHBondContact OG-OG 3.15Å; S750-D753 WeakPolarHBondContact CB-OD2 3.42Å; S750-D753 PolarHBondContact N-OD2 2.9Å; S750-D753 WeakPolarHBondContact O-CB 3.24Å; S750-D753 PolarHBondContact O-N 3.45Å; S750-D753 VanDerWaalsContact O-N 3.09Å; S750-D753 PolarHBondContact OG-N 3Å; S750-D753 PolarHBondContact OG-OD2 3.5Å; S750-W754 PolarHBondContact O-N 3.4Å |
| 751 | N | 69.6 | Low | 66.3 | Low | 91 Ų | 91 | 65.5 Ų | 65.5 | 49% | 0.487 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56 | -40.9 | 172.2 | -64.8 | -3.8 | 0 | 0 | 0 | 111 | P648 W754 I755 | P648-N751 WeakPolarHBondContact CD-OD1 3.27Å; P648-N751 WeakPolarHBondContact CG-OD1 3.25Å; N751-W754 PolarHBondContact O-N 3.18Å; N751-I755 WeakPolarHBondContact O-CD1 2.89Å; N751-I755 VanDerWaalsContact O-CG1 3.24Å; N751-I755 WeakPolarHBondContact O-CG1 3.38Å; N751-I755 PolarHBondContact O-N 3.02Å |
| 752 | S | 70.2 | Confident | 68.9 | Low | 71 Ų | 71 | 58.6 Ų | 58.6 | 50% | 0.497 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 173.1 | 27.1 | 0 | 0 | 0 | 0 | 113.3 | S750 W754 I755 I756 | S750-S752 PolarHBondContact O-N 2.92Å; S750-S752 PolarHBondContact OG-OG 3.15Å; S752-W754 VanDerWaalsContact C-N 3.34Å; S752-W754 PolarHBondContact O-N 3.24Å; S752-I755 PolarHBondContact O-N 2.84Å; S752-I756 WeakPolarHBondContact O-CD1 3.27Å; S752-I756 VanDerWaalsContact O-CG1 3.28Å; S752-I756 WeakPolarHBondContact O-CG1 3.41Å; S752-I756 PolarHBondContact O-N 2.75Å |
| 753 | D | 73.9 | Confident | 71.1 | Confident | 39 Ų | 39 | 52.7 Ų | 52.7 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.8 | -41.7 | 177 | -60.3 | -44.6 | 0 | 0 | 0 | 111 | F719 P748 K749 S750 I756 Y757 | F719-D753 HydrophobicContact CE2-CB 3.7Å; F719-D753 HydrophobicContact CZ-CB 3.67Å; P748-D753 HydrophobicContact CB-CB 3.53Å; K749-D753 PolarHBondContact N-OD2 3.34Å; S750-D753 WeakPolarHBondContact CB-OD2 3.42Å; S750-D753 PolarHBondContact N-OD2 2.9Å; S750-D753 WeakPolarHBondContact O-CB 3.24Å; S750-D753 PolarHBondContact O-N 3.45Å; S750-D753 VanDerWaalsContact O-N 3.09Å; S750-D753 PolarHBondContact OG-N 3Å; S750-D753 PolarHBondContact OG-OD2 3.5Å; D753-I756 PolarHBondContact O-N 3.42Å; D753-Y757 WeakPolarHBondContact O-CB 3.19Å; D753-Y757 PolarHBondContact O-N 3.28Å |
| 754 | W | 84 | Confident | 73.3 | Confident | 4 Ų | 4 | 46.6 Ų | 46.6 | 2% | 0.015 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.4 | -44.4 | 176.7 | -86.3 | 99 | 0 | 0 | 0 | 111.6 | P648 W651 I652 L704 P748 S750 N751 S752 I756 Y757 L758 | P648-W754 HydrophobicContact CB-CG 4.38Å; P648-W754 HydrophobicContact CG-CG 4.21Å; W651-W754 HydrophobicContact CB-CD2 4.49Å; W651-W754 HydrophobicContact CB-CE3 3.72Å; W651-W754 HydrophobicContact CB-CH2 3.74Å; W651-W754 HydrophobicContact CB-CZ3 3.3Å; W651-W754 HydrophobicContact CG-CE3 4.21Å; W651-W754 HydrophobicContact CG-CZ3 4.14Å; I652-W754 HydrophobicContact CG1-CZ2 3.85Å; L704-W754 HydrophobicContact CD1-CH2 4.05Å; P748-W754 HydrophobicContact CB-CB 4.37Å; P748-W754 HydrophobicContact CB-CD2 3.85Å; P748-W754 HydrophobicContact CB-CG 3.74Å; P748-W754 HydrophobicContact CG-CD2 3.91Å; P748-W754 HydrophobicContact CG-CE3 4.12Å; P748-W754 HydrophobicContact CG-CG 4.26Å; P748-W754 HydrophobicContact CG-CZ2 4.4Å; P748-W754 HydrophobicContact CG-CZ3 4.45Å; P748-W754 PolarHBondContact O-NE1 2.93Å; S750-W754 PolarHBondContact O-N 3.4Å; N751-W754 PolarHBondContact O-N 3.18Å; S752-W754 VanDerWaalsContact C-N 3.34Å; S752-W754 PolarHBondContact O-N 3.24Å; W754-I756 VanDerWaalsContact C-N 3.33Å; W754-I756 PolarHBondContact O-N 2.89Å; W754-Y757 HydrophobicContact CE3-CD1 4.4Å; W754-Y757 HydrophobicContact CZ3-CD1 4.2Å; W754-Y757 PolarHBondContact O-N 2.91Å; W754-L758 HydrophobicContact CE3-CD1 4.44Å; W754-L758 HydrophobicContact CE3-CG 4.38Å; W754-L758 VanDerWaalsContact O-CB 3.24Å; W754-L758 WeakPolarHBondContact O-CB 3.49Å; W754-L758 WeakPolarHBondContact O-CD1 3.31Å; W754-L758 WeakPolarHBondContact O-CG 3.33Å; W754-L758 PolarHBondContact O-N 3.09Å |
| 755 | I | 78.1 | Confident | 75.5 | Confident | 47 Ų | 47 | 43 Ų | 43 | 24% | 0.241 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59 | -44.4 | 175.3 | -69.1 | 160.7 | 0 | 0 | 0 | 110.8 | L646 N751 S752 Y759 | L646-I755 HydrophobicContact CB-CG1 3.94Å; L646-I755 HydrophobicContact CD1-CG1 4.07Å; N751-I755 WeakPolarHBondContact O-CD1 2.89Å; N751-I755 VanDerWaalsContact O-CG1 3.24Å; N751-I755 WeakPolarHBondContact O-CG1 3.38Å; N751-I755 PolarHBondContact O-N 3.02Å; S752-I755 PolarHBondContact O-N 2.84Å; I755-Y759 VanDerWaalsContact O-CB 3.22Å; I755-Y759 WeakPolarHBondContact O-CB 3.43Å; I755-Y759 PolarHBondContact O-N 2.82Å |
| 756 | I | 78.9 | Confident | 76.8 | Confident | 93 Ų | 93 | 43.1 Ų | 43.1 | 48% | 0.477 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.7 | -45.1 | 176.6 | -68 | 164 | 0 | 0 | 0 | 111.4 | S752 D753 W754 Y759 N760 | S752-I756 WeakPolarHBondContact O-CD1 3.27Å; S752-I756 VanDerWaalsContact O-CG1 3.28Å; S752-I756 WeakPolarHBondContact O-CG1 3.41Å; S752-I756 PolarHBondContact O-N 2.75Å; D753-I756 PolarHBondContact O-N 3.42Å; W754-I756 VanDerWaalsContact C-N 3.33Å; W754-I756 PolarHBondContact O-N 2.89Å; I756-Y759 PolarHBondContact O-N 3.46Å; I756-N760 PolarHBondContact O-N 3.46Å |
| 757 | Y | 86.9 | Confident | 77.8 | Confident | 6 Ų | 6 | 48.1 Ų | 48.1 | 2% | 0.024 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -64.9 | -44.3 | 179.6 | -172.2 | -118.5 | 0 | 0 | 0 | 111.9 | C708 L711 I717 F719 P748 D753 W754 N760 I761 | C708-Y757 PolarHBondContact SG-OH 3.06Å; L711-Y757 HydrophobicContact CD1-CE1 4.43Å; L711-Y757 WeakPolarHBondContact CD1-OH 3.18Å; I717-Y757 HydrophobicContact CG2-CD2 4.38Å; I717-Y757 HydrophobicContact CG2-CE2 3.86Å; F719-Y757 HydrophobicContact CB-CD2 4.18Å; F719-Y757 HydrophobicContact CB-CE2 4.34Å; F719-Y757 HydrophobicContact CD2-CD2 4.21Å; P748-Y757 HydrophobicContact CG-CD1 3.76Å; P748-Y757 HydrophobicContact CG-CD2 4.49Å; P748-Y757 HydrophobicContact CG-CG 3.72Å; D753-Y757 WeakPolarHBondContact O-CB 3.19Å; D753-Y757 PolarHBondContact O-N 3.28Å; W754-Y757 HydrophobicContact CE3-CD1 4.4Å; W754-Y757 HydrophobicContact CZ3-CD1 4.2Å; W754-Y757 PolarHBondContact O-N 2.91Å; Y757-N760 PolarHBondContact O-N 3.35Å; Y757-I761 HydrophobicContact CD1-CD1 3.83Å; Y757-I761 HydrophobicContact CE1-CD1 3.71Å; Y757-I761 HydrophobicContact CG-CD1 4.44Å; Y757-I761 WeakPolarHBondContact O-CG1 3.45Å; Y757-I761 PolarHBondContact O-N 2.99Å |
| 758 | L | 89.7 | Confident | 78.7 | Confident | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -65.8 | -36.3 | 175.8 | -69.1 | 169 | 0 | 0 | 0 | 112.1 | L623 F627 L646 W651 W754 I761 Y762 | L623-L758 HydrophobicContact CD2-CB 4.43Å; F627-L758 HydrophobicContact CE1-CD2 4.25Å; F627-L758 HydrophobicContact CE2-CB 3.83Å; F627-L758 HydrophobicContact CE2-CD2 4.05Å; F627-L758 HydrophobicContact CE2-CG 4.38Å; F627-L758 HydrophobicContact CZ-CB 3.8Å; F627-L758 HydrophobicContact CZ-CD2 3.65Å; F627-L758 HydrophobicContact CZ-CG 4.29Å; L646-L758 HydrophobicContact CB-CD1 4.22Å; L646-L758 HydrophobicContact CD2-CD1 4.12Å; W651-L758 HydrophobicContact CD2-CD1 4.21Å; W651-L758 HydrophobicContact CD2-CD2 3.6Å; W651-L758 HydrophobicContact CE3-CD2 3.78Å; W651-L758 HydrophobicContact CG-CD1 4.18Å; W651-L758 HydrophobicContact CG-CD2 4.13Å; W651-L758 HydrophobicContact CH2-CD2 4.14Å; W651-L758 HydrophobicContact CZ2-CD1 4.38Å; W651-L758 HydrophobicContact CZ2-CD2 3.96Å; W651-L758 HydrophobicContact CZ3-CD2 4.04Å; W754-L758 HydrophobicContact CE3-CD1 4.44Å; W754-L758 HydrophobicContact CE3-CG 4.38Å; W754-L758 VanDerWaalsContact O-CB 3.24Å; W754-L758 WeakPolarHBondContact O-CB 3.49Å; W754-L758 WeakPolarHBondContact O-CD1 3.31Å; W754-L758 WeakPolarHBondContact O-CG 3.33Å; W754-L758 PolarHBondContact O-N 3.09Å; L758-I761 HydrophobicContact CD2-CD1 4.32Å; L758-I761 PolarHBondContact O-N 3.27Å; L758-Y762 WeakPolarHBondContact O-CB 3.36Å; L758-Y762 PolarHBondContact O-N 3.2Å |
| 759 | Y | 84.9 | Confident | 78.6 | Confident | 91 Ų | 91 | 57.1 Ų | 57.1 | 36% | 0.357 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -65.1 | -40.1 | 172.8 | -175.5 | -94.2 | 0 | 0 | 0 | 112 | V619 L623 I755 I756 Y762 H763 | V619-Y759 HydrophobicContact CG1-CD2 3.98Å; V619-Y759 HydrophobicContact CG1-CE2 3.8Å; L623-Y759 HydrophobicContact CD2-CD2 4.49Å; I755-Y759 VanDerWaalsContact O-CB 3.22Å; I755-Y759 WeakPolarHBondContact O-CB 3.43Å; I755-Y759 PolarHBondContact O-N 2.82Å; I756-Y759 PolarHBondContact O-N 3.46Å; Y759-Y762 HydrophobicContact CD2-CD1 4.39Å; Y759-Y762 HydrophobicContact CE2-CD1 4.43Å; Y759-Y762 WeakPolarHBondContact O-CB 3.08Å; Y759-Y762 PolarHBondContact O-N 3.14Å; Y759-H763 WeakPolarHBondContact O-CB 3.5Å; Y759-H763 PolarHBondContact O-N 2.6Å |
| 760 | N | 85.4 | Confident | 78.7 | Confident | 64 Ų | 64 | 55.8 Ų | 55.8 | 34% | 0.342 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.7 | -41.9 | 173.7 | -70.8 | -19.3 | 0 | 0 | 0 | 111.9 | I717 I756 Y757 H763 V764 | I717-N760 HydrophobicContact CG2-CB 4.43Å; I756-N760 PolarHBondContact O-N 3.46Å; Y757-N760 PolarHBondContact O-N 3.35Å; N760-H763 PolarHBondContact O-N 2.77Å; N760-V764 PolarHBondContact O-N 2.95Å; N760-V764 VanDerWaalsContact O-N 3.12Å |
| 761 | I | 90.2 | Very high | 78.1 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.6 | -49.9 | 173 | -68.1 | 163.6 | 0 | 0 | 0 | 110.3 | F627 L657 L660 L711 I717 Y757 L758 H763 V764 F765 | F627-I761 HydrophobicContact CE1-CG2 4.28Å; L657-I761 HydrophobicContact CD2-CD1 3.86Å; L660-I761 HydrophobicContact CD2-CG2 3.56Å; L711-I761 HydrophobicContact CD1-CD1 3.98Å; L711-I761 HydrophobicContact CD1-CG1 4.36Å; L711-I761 HydrophobicContact CD2-CG1 4.38Å; I717-I761 HydrophobicContact CD1-CG1 4.2Å; I717-I761 HydrophobicContact CG2-CG1 3.97Å; Y757-I761 HydrophobicContact CD1-CD1 3.83Å; Y757-I761 HydrophobicContact CE1-CD1 3.71Å; Y757-I761 HydrophobicContact CG-CD1 4.44Å; Y757-I761 WeakPolarHBondContact O-CG1 3.45Å; Y757-I761 PolarHBondContact O-N 2.99Å; L758-I761 HydrophobicContact CD2-CD1 4.32Å; L758-I761 PolarHBondContact O-N 3.27Å; I761-H763 VanDerWaalsContact C-N 3.35Å; I761-H763 PolarHBondContact O-N 2.85Å; I761-V764 PolarHBondContact O-N 3.01Å; I761-F765 HydrophobicContact CG2-CD2 4.14Å; I761-F765 HydrophobicContact CG2-CE2 4.43Å; I761-F765 HydrophobicContact CG2-CG 4.3Å; I761-F765 VanDerWaalsContact O-CB 3.27Å; I761-F765 WeakPolarHBondContact O-CB 3.01Å; I761-F765 WeakPolarHBondContact O-CD2 3.27Å; I761-F765 PolarHBondContact O-N 3.46Å |
| 762 | Y | 86.4 | Confident | 76.5 | Confident | 48 Ų | 48 | 60.2 Ų | 60.2 | 19% | 0.188 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -56.8 | -44.8 | 175 | 160.9 | -94.8 | 0 | 0 | 0 | 112.4 | L623 W626 L758 Y759 V764 S766 | L623-Y762 HydrophobicContact CD1-CD1 4.31Å; L623-Y762 HydrophobicContact CD1-CD2 3.97Å; L623-Y762 HydrophobicContact CD1-CG 3.63Å; W626-Y762 HydrophobicContact CB-CD2 4.06Å; W626-Y762 HydrophobicContact CB-CE2 4.11Å; W626-Y762 AromaticContact CD1-CD2 3.76Å; W626-Y762 AromaticContact CD1-CE2 3.55Å; W626-Y762 AromaticContact CD2-CD2 3.6Å; W626-Y762 HydrophobicContact CD2-CD2 3.6Å; W626-Y762 HydrophobicContact CD2-CE2 4.2Å; W626-Y762 AromaticContact CE2-CD2 3.82Å; W626-Y762 HydrophobicContact CE3-CD2 4.11Å; W626-Y762 AromaticContact CG-CD2 3.56Å; W626-Y762 HydrophobicContact CG-CD2 3.56Å; W626-Y762 AromaticContact CG-CE2 3.71Å; W626-Y762 HydrophobicContact CG-CE2 3.71Å; W626-Y762 AromaticContact NE1-CD2 3.88Å; W626-Y762 AromaticContact NE1-CE2 3.89Å; L758-Y762 WeakPolarHBondContact O-CB 3.36Å; L758-Y762 PolarHBondContact O-N 3.2Å; Y759-Y762 HydrophobicContact CD2-CD1 4.39Å; Y759-Y762 HydrophobicContact CE2-CD1 4.43Å; Y759-Y762 WeakPolarHBondContact O-CB 3.08Å; Y759-Y762 PolarHBondContact O-N 3.14Å; Y762-V764 VanDerWaalsContact C-N 3.34Å; Y762-V764 PolarHBondContact O-N 2.58Å; Y762-S766 WeakPolarHBondContact O-CB 3.22Å; Y762-S766 PolarHBondContact O-N 3.3Å; Y762-S766 PolarHBondContact O-OG 3.12Å |
| 763 | H | 80.4 | Confident | 74.8 | Confident | 80 Ų | 80 | 64.3 Ų | 64.3 | 37% | 0.37 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | -177.9 | -172.1 | -92.4 | 0 | 0 | 0 | 112.3 | Y759 N760 I761 S766 Q767 | Y759-H763 WeakPolarHBondContact O-CB 3.5Å; Y759-H763 PolarHBondContact O-N 2.6Å; N760-H763 PolarHBondContact O-N 2.77Å; I761-H763 VanDerWaalsContact C-N 3.35Å; I761-H763 PolarHBondContact O-N 2.85Å; H763-S766 PolarHBondContact O-OG 3.09Å; H763-Q767 PolarHBondContact CE1-NE2 2.83Å; H763-Q767 WeakPolarHBondContact O-CG 3.05Å; H763-Q767 PolarHBondContact O-NE2 3.14Å |
| 764 | V | 83.9 | Confident | 72.6 | Confident | 44 Ų | 44 | 67.3 Ų | 67.3 | 27% | 0.267 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -76.7 | -50.4 | 176 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | F715 I717 N760 I761 Y762 S766 Q767 | F715-V764 HydrophobicContact CB-CG1 4.31Å; I717-V764 HydrophobicContact CD1-CB 3.98Å; I717-V764 HydrophobicContact CD1-CG1 4.17Å; I717-V764 HydrophobicContact CD1-CG2 4.24Å; I717-V764 HydrophobicContact CG1-CB 4.17Å; I717-V764 HydrophobicContact CG1-CG1 4.44Å; I717-V764 HydrophobicContact CG1-CG2 3.86Å; N760-V764 PolarHBondContact O-N 2.95Å; N760-V764 VanDerWaalsContact O-N 3.12Å; I761-V764 PolarHBondContact O-N 3.01Å; Y762-V764 VanDerWaalsContact C-N 3.34Å; Y762-V764 PolarHBondContact O-N 2.58Å; V764-S766 VanDerWaalsContact C-N 3.3Å; V764-S766 PolarHBondContact O-N 3.41Å; V764-Q767 PolarHBondContact O-N 3.32Å; V764-Q767 VanDerWaalsContact O-N 3.13Å |
| 765 | F | 86.4 | Confident | 69.8 | Low | 0 Ų | 0 | 72.7 Ų | 72.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -71.9 | -22.2 | -173.7 | -80 | -130.6 | 0 | 0 | 0 | 112.8 | W626 L660 I661 Y664 L711 F715 I717 I761 Q767 L768 | W626-F765 HydrophobicContact CH2-CB 3.53Å; W626-F765 HydrophobicContact CH2-CG 4.45Å; W626-F765 HydrophobicContact CZ2-CB 3.84Å; L660-F765 HydrophobicContact CD1-CD1 4.36Å; L660-F765 HydrophobicContact CD2-CD1 4.23Å; L660-F765 HydrophobicContact CD2-CE1 4.37Å; L660-F765 HydrophobicContact CG-CD1 3.88Å; L660-F765 HydrophobicContact CG-CE1 3.91Å; I661-F765 HydrophobicContact CG1-CZ 4.27Å; Y664-F765 AromaticContact CD2-CD1 3.49Å; Y664-F765 HydrophobicContact CD2-CD1 3.49Å; Y664-F765 VanDerWaalsContact CD2-CD1 3.49Å; Y664-F765 HydrophobicContact CD2-CE1 4.06Å; Y664-F765 HydrophobicContact CD2-CG 4.47Å; Y664-F765 WeakPolarHBondContact CE1-O 3.24Å; Y664-F765 HydrophobicContact CE2-CB 4.21Å; Y664-F765 AromaticContact CE2-CD1 3.79Å; Y664-F765 HydrophobicContact CE2-CD1 3.79Å; Y664-F765 HydrophobicContact CE2-CG 4.49Å; Y664-F765 AromaticContact CG-CD1 3.92Å; Y664-F765 HydrophobicContact CG-CD1 3.92Å; Y664-F765 HydrophobicContact CG-CE1 4.35Å; Y664-F765 PolarHBondContact OH-O 3.37Å; L711-F765 HydrophobicContact CD2-CE2 3.68Å; L711-F765 HydrophobicContact CD2-CZ 3.67Å; F715-F765 HydrophobicContact CB-CE2 4.17Å; F715-F765 HydrophobicContact CD1-CD2 4.19Å; F715-F765 AromaticContact CD1-CE2 3.42Å; F715-F765 HydrophobicContact CD1-CE2 3.42Å; F715-F765 VanDerWaalsContact CD1-CE2 3.42Å; F715-F765 AromaticContact CD1-CZ 3.77Å; F715-F765 HydrophobicContact CD1-CZ 3.77Å; F715-F765 HydrophobicContact CD2-CE2 4.18Å; F715-F765 HydrophobicContact CD2-CZ 4.14Å; F715-F765 HydrophobicContact CE1-CE1 4.26Å; F715-F765 AromaticContact CE1-CE2 3.7Å; F715-F765 HydrophobicContact CE1-CE2 3.7Å; F715-F765 AromaticContact CE1-CZ 3.55Å; F715-F765 HydrophobicContact CE1-CZ 3.55Å; F715-F765 HydrophobicContact CE2-CE2 4.42Å; F715-F765 AromaticContact CE2-CZ 3.96Å; F715-F765 HydrophobicContact CE2-CZ 3.96Å; F715-F765 AromaticContact CG-CE2 3.67Å; F715-F765 HydrophobicContact CG-CE2 3.67Å; F715-F765 HydrophobicContact CG-CZ 4.05Å; F715-F765 HydrophobicContact CZ-CE1 4.36Å; F715-F765 HydrophobicContact CZ-CE2 4.19Å; F715-F765 AromaticContact CZ-CZ 3.64Å; F715-F765 HydrophobicContact CZ-CZ 3.64Å; I717-F765 HydrophobicContact CD1-CD2 3.95Å; I717-F765 HydrophobicContact CD1-CE2 3.62Å; I761-F765 HydrophobicContact CG2-CD2 4.14Å; I761-F765 HydrophobicContact CG2-CE2 4.43Å; I761-F765 HydrophobicContact CG2-CG 4.3Å; I761-F765 VanDerWaalsContact O-CB 3.27Å; I761-F765 WeakPolarHBondContact O-CB 3.01Å; I761-F765 WeakPolarHBondContact O-CD2 3.27Å; I761-F765 PolarHBondContact O-N 3.46Å; F765-Q767 VanDerWaalsContact C-N 3.25Å; F765-Q767 PolarHBondContact O-N 3.41Å; F765-L768 HydrophobicContact CD2-CD1 4.34Å; F765-L768 HydrophobicContact CG-CD1 4.3Å; F765-L768 PolarHBondContact O-N 2.96Å |
| 766 | S | 76.4 | Confident | 67.3 | Low | 47 Ų | 47 | 75.8 Ų | 75.8 | 33% | 0.329 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -22.9 | 172.3 | 59.4 | 0 | 0 | 0 | 0 | 113.5 | Y762 H763 V764 | Y762-S766 WeakPolarHBondContact O-CB 3.22Å; Y762-S766 PolarHBondContact O-N 3.3Å; Y762-S766 PolarHBondContact O-OG 3.12Å; H763-S766 PolarHBondContact O-OG 3.09Å; V764-S766 VanDerWaalsContact C-N 3.3Å; V764-S766 PolarHBondContact O-N 3.41Å |
| 767 | Q | 74.4 | Confident | 64.9 | Low | 137 Ų | 137 | 77 Ų | 77 | 64% | 0.64 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -17.6 | 177.3 | -59.1 | 176.5 | 19 | 0 | 0 | 113 | H763 V764 F765 | H763-Q767 PolarHBondContact CE1-NE2 2.83Å; H763-Q767 WeakPolarHBondContact O-CG 3.05Å; H763-Q767 PolarHBondContact O-NE2 3.14Å; V764-Q767 PolarHBondContact O-N 3.32Å; V764-Q767 VanDerWaalsContact O-N 3.13Å; F765-Q767 VanDerWaalsContact C-N 3.25Å; F765-Q767 PolarHBondContact O-N 3.41Å |
| 768 | L | 75 | Confident | 62 | Low | 52 Ų | 52 | 81.7 Ų | 81.7 | 27% | 0.272 | 45% | 0.445 | S | S | . | . | S | Bend | trans | -76.4 | 132.5 | 179.7 | -62.9 | 177.6 | 0 | 0 | 0 | 111.5 | Y664 F715 F765 L770 | Y664-L768 HydrophobicContact CD1-CB 3.56Å; Y664-L768 HydrophobicContact CD1-CD1 4.07Å; Y664-L768 HydrophobicContact CD1-CG 4.49Å; Y664-L768 HydrophobicContact CE1-CB 3.7Å; Y664-L768 WeakPolarHBondContact CE1-O 3.34Å; Y664-L768 HydrophobicContact CG-CD1 4.48Å; F715-L768 HydrophobicContact CD1-CD1 3.83Å; F715-L768 HydrophobicContact CE1-CD1 3.59Å; F765-L768 HydrophobicContact CD2-CD1 4.34Å; F765-L768 HydrophobicContact CG-CD1 4.3Å; F765-L768 PolarHBondContact O-N 2.96Å; L768-L770 PolarHBondContact O-N 3.16Å |
| 769 | K | 64.9 | Low | 59 | Low | 158 Ų | 158 | 86.4 Ų | 86.4 | 69% | 0.687 | 48% | 0.478 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 119.5 | 169.3 | -67.8 | 177.7 | -177.4 | 173.3 | 0 | 108.9 | D35 | D35-K769 IonicContact OD1-NZ 3.9Å; D35-K769 IonicContact OD2-NZ 3.31Å; D35-K769 PolarHBondContact OD2-NZ 3.15Å |
| 770 | L | 66.3 | Low | 56.2 | Low | 56 Ų | 56 | 88.8 Ų | 88.8 | 29% | 0.293 | 50% | 0.502 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 135.2 | 170.5 | -81.1 | 163.8 | 0 | 0 | 0 | 109.3 | R663 Y664 L768 M772 | R663-L770 HydrophobicContact CG-CD2 4.11Å; Y664-L770 HydrophobicContact CD1-CD2 4Å; Y664-L770 HydrophobicContact CD1-CG 4.38Å; Y664-L770 HydrophobicContact CD2-CD2 4.21Å; Y664-L770 HydrophobicContact CE1-CD2 3.9Å; Y664-L770 HydrophobicContact CE1-CG 3.96Å; Y664-L770 HydrophobicContact CE2-CD2 4.1Å; Y664-L770 HydrophobicContact CG-CD2 4.2Å; L768-L770 PolarHBondContact O-N 3.16Å; L770-M772 PolarHBondContact O-N 3.08Å |
| 771 | P | 54.6 | Low | 53.3 | Low | 48 Ų | 48 | 93.6 Ų | 93.6 | 31% | 0.312 | 53% | 0.527 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 128.3 | 173.7 | 23.9 | -32.3 | 0 | 0 | 0 | 109.7 | F773 | P771-F773 VanDerWaalsContact C-N 3.32Å; P771-F773 HydrophobicContact CG-CD2 4.5Å; P771-F773 HydrophobicContact CG-CE2 4.23Å; P771-F773 PolarHBondContact O-N 2.88Å |
| 772 | M | 35.4 | Very low | 50.3 | Low | 180 Ų | 180 | 99.6 Ų | 99.6 | 89% | 0.887 | 56% | 0.564 | S | S | * | * | trans | -69.3 | 91.2 | 174.8 | -94.6 | -169.8 | 64 | 0 | 0 | 109.8 | L770 V774 | L770-M772 PolarHBondContact O-N 3.08Å; M772-V774 VanDerWaalsContact C-N 3.3Å; M772-V774 PolarHBondContact O-N 2.92Å | ||
| 773 | F | 35.5 | Very low | 47.4 | Very low | 156 Ų | 156 | 104.5 Ų | 104.5 | 68% | 0.684 | 59% | 0.59 | S | S | * | * | trans | -63.3 | 97.5 | 156.7 | -81.7 | -92.6 | 0 | 0 | 0 | 108.3 | P771 | P771-F773 VanDerWaalsContact C-N 3.32Å; P771-F773 HydrophobicContact CG-CD2 4.5Å; P771-F773 HydrophobicContact CG-CE2 4.23Å; P771-F773 PolarHBondContact O-N 2.88Å | ||
| 774 | V | 26.7 | Very low | 44.8 | Very low | 102 Ų | 102 | 105.8 Ų | 105.8 | 62% | 0.618 | 60% | 0.604 | S | S | * | * | trans | -49.2 | 138.5 | 152.8 | 178.3 | 0 | 0 | 0 | 0 | 107 | M772 T776 | M772-V774 VanDerWaalsContact C-N 3.3Å; M772-V774 PolarHBondContact O-N 2.92Å; V774-T776 PolarHBondContact O-N 3.22Å | ||
| 775 | S | 26.6 | Very low | 42 | Very low | 118 Ų | 118 | 112.5 Ų | 112.5 | 83% | 0.825 | 63% | 0.629 | S | S | * | * | trans | -74.3 | 50.5 | -176.8 | -175.2 | 0 | 0 | 0 | 0 | 112.8 | T777 | S775-T777 PolarHBondContact O-N 3.39Š| ||
| 776 | T | 24.8 | Very low | 39.2 | Very low | 112 Ų | 112 | 117.4 Ų | 117.4 | 69% | 0.687 | 66% | 0.663 | S | S | * | * | trans | -72.1 | 105.3 | 167.4 | -42.8 | 0 | 0 | 0 | 0 | 107.4 | V774 A778 | V774-T776 PolarHBondContact O-N 3.22Å; T776-A778 PolarHBondContact O-N 2.83Å | ||
| 777 | T | 28.2 | Very low | 36.8 | Very low | 117 Ų | 117 | 121 Ų | 121 | 72% | 0.718 | 69% | 0.689 | S | S | * | * | trans | -52.5 | 133.2 | 172.6 | 45.6 | 0 | 0 | 0 | 0 | 110.2 | S775 S779 | S775-T777 PolarHBondContact O-N 3.39Å; T777-S779 PolarHBondContact O-N 2.77Å | ||
| 778 | A | 25.9 | Very low | 34.5 | Very low | 106 Ų | 106 | 119.9 Ų | 119.9 | 88% | 0.876 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -63.6 | 98 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T776 | T776-A778 PolarHBondContact O-N 2.83Š|
| 779 | S | 26.3 | Very low | 32.2 | Very low | 98 Ų | 98 | 123.2 Ų | 123.2 | 69% | 0.685 | 72% | 0.718 | S | S | * | * | trans | -166.6 | 145.2 | 168.5 | -79.7 | 0 | 0 | 0 | 0 | 110 | T777 | T777-S779 PolarHBondContact O-N 2.77Š| ||
| 780 | T | 27.5 | Very low | 30.3 | Very low | 141 Ų | 141 | 123.3 Ų | 123.3 | 87% | 0.865 | 73% | 0.725 | S | S | * | * | trans | 71 | 106.6 | 179.2 | -9.2 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 781 | L | 24 | Very low | 28.5 | Very low | 165 Ų | 165 | 127.7 Ų | 127.7 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | trans | -111.7 | 102 | 174.6 | 177.1 | 135.4 | 0 | 0 | 0 | 109.2 | ||||
| 782 | V | 27.6 | Very low | 27.2 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | -141.6 | 92.5 | 173.7 | -171.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 783 | M | 24.5 | Very low | 26.8 | Very low | 150 Ų | 150 | 131.5 Ų | 131.5 | 74% | 0.739 | 77% | 0.769 | S | S | * | * | trans | 28.6 | 113.2 | 136.6 | -67.5 | -99.4 | 101.4 | 0 | 0 | 122 | ||||
| 784 | T | 26.2 | Very low | 26.4 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 66% | 0.656 | 78% | 0.775 | S | S | * | * | 90.6 | 137 | 122.4 | 62.6 | 0 | 0 | 0 | 0 | 125 | |||||
| 785 | K | 25.3 | Very low | 26.4 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 81% | 0.809 | 79% | 0.788 | S | S | * | * | trans | 86.3 | 89.9 | 143.1 | -78 | 166.5 | -178.6 | 178.8 | 0 | 122.2 | ||||
| 786 | S | 26.4 | Very low | 26.5 | Very low | 102 Ų | 102 | 140 Ų | 140 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | 79.9 | 123.8 | 117.9 | -54.5 | 0 | 0 | 0 | 0 | 123 | |||||
| 787 | S | 26.7 | Very low | 26.5 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | 64.2 | 151.2 | 146.8 | 49.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 788 | S | 26.3 | Very low | 26.6 | Very low | 114 Ų | 114 | 143.3 Ų | 143.3 | 80% | 0.797 | 80% | 0.804 | S | S | * | * | cis | -144.4 | 174.5 | 6.4 | 56.3 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 789 | V | 26.6 | Very low | 26.7 | Very low | 121 Ų | 121 | 144.2 Ų | 144.2 | 73% | 0.733 | 80% | 0.798 | S | S | * | * | trans | -70.5 | 154.2 | 171.6 | 174.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 790 | I | 25.9 | Very low | 26.8 | Very low | 161 Ų | 161 | 149.3 Ų | 149.3 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -173.1 | 149.2 | 138.5 | -99.7 | 155.6 | 0 | 0 | 0 | 112.7 | ||||
| 791 | N | 28.3 | Very low | 26.8 | Very low | 148 Ų | 148 | 147 Ų | 147 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | -76.4 | 158 | 173.2 | -69.3 | -55.9 | 0 | 0 | 0 | 112.9 | ||||
| 792 | V | 27.5 | Very low | 27 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | -142.5 | 132.1 | 138.5 | 173.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 793 | H | 26.8 | Very low | 26.9 | Very low | 167 Ų | 167 | 141.5 Ų | 141.5 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -100.1 | 150.4 | 165.2 | -127.3 | -121.2 | 0 | 0 | 0 | 109.3 | ||||
| 794 | K | 26.5 | Very low | 27.1 | Very low | 189 Ų | 189 | 141.4 Ų | 141.4 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -0.8 | 129.2 | 167.6 | -58.5 | 174.7 | 179.6 | 177.4 | 0 | 118.3 | ||||
| 795 | S | 27.3 | Very low | 27 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | 176.4 | -177 | 118.3 | 52.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 796 | R | 27.4 | Very low | 27.1 | Very low | 239 Ų | 239 | 142.1 Ų | 142.1 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -69.7 | 158 | -168.1 | -67.6 | 168.8 | 166.7 | 164.3 | -7.9 | 114.1 | ||||
| 797 | M | 25.6 | Very low | 27 | Very low | 180 Ų | 180 | 143.5 Ų | 143.5 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | trans | -129.5 | 136.6 | 159.7 | -83.4 | -76.2 | 174 | 0 | 0 | 110.1 | ||||
| 798 | P | 29.4 | Very low | 26.9 | Very low | 120 Ų | 120 | 144.3 Ų | 144.3 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | -105 | 157.3 | 149 | 35.1 | -27 | 0 | 0 | 0 | 111 | ||||
| 799 | T | 28.1 | Very low | 26.7 | Very low | 124 Ų | 124 | 150 Ų | 150 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | trans | -90.8 | 151.2 | -174 | 50.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 800 | Y | 29 | Very low | 26.8 | Very low | 206 Ų | 206 | 153.9 Ų | 153.9 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | -162.5 | 161.1 | 131.7 | -106.6 | -67.5 | 0 | 0 | 0 | 113.1 | R849 | Y800-R849 PolarHBondContact O-NH1 3.23Š| ||
| 801 | S | 27.8 | Very low | 26.8 | Very low | 91 Ų | 91 | 149 Ų | 149 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -72.3 | -179.4 | 177.6 | 54.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 802 | S | 27.2 | Very low | 26.8 | Very low | 88 Ų | 88 | 145.5 Ų | 145.5 | 62% | 0.615 | 75% | 0.752 | S | S | * | * | cis | -146.3 | -146.7 | 16.9 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | R849 | S802-R849 PolarHBondContact O-NH2 3.37Š| ||
| 803 | S | 27.2 | Very low | 26.7 | Very low | 90 Ų | 90 | 142.4 Ų | 142.4 | 63% | 0.629 | 73% | 0.734 | S | S | * | * | trans | -64.9 | 169.6 | -172.9 | 58.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 804 | D | 28.5 | Very low | 26.8 | Very low | 148 Ų | 148 | 137.5 Ų | 137.5 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | cis | -147.5 | 174.2 | 38 | -110.3 | -62.7 | 0 | 0 | 0 | 117.9 | ||||
| 805 | R | 24.3 | Very low | 26.9 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | trans | -94.2 | 153.6 | -177.4 | -57.6 | 171.6 | 173 | -174.7 | -2.6 | 112.6 | H848 | R805-H848 PolarHBondContact NH2-NE2 3.01Š| ||
| 806 | V | 25.9 | Very low | 26.9 | Very low | 135 Ų | 135 | 135.2 Ų | 135.2 | 82% | 0.818 | 69% | 0.693 | S | S | * | * | trans | -160.9 | 150.1 | 133.1 | 142.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 807 | N | 24.4 | Very low | 27.1 | Very low | 132 Ų | 132 | 128.4 Ų | 128.4 | 71% | 0.706 | 67% | 0.673 | S | S | * | * | trans | -70 | -177 | -169.7 | -50.1 | -69.3 | 0 | 0 | 0 | 117.9 | ||||
| 808 | L | 24.1 | Very low | 27.2 | Very low | 139 Ų | 139 | 123.6 Ų | 123.6 | 73% | 0.728 | 66% | 0.657 | S | S | * | * | trans | 83.7 | 146.1 | 156.4 | -57 | 137.1 | 0 | 0 | 0 | 117.2 | ||||
| 809 | R | 23.8 | Very low | 27.1 | Very low | 233 Ų | 233 | 124.3 Ų | 124.3 | 88% | 0.879 | 65% | 0.645 | S | S | * | * | cis | -160.3 | 164 | -31 | -124.6 | -175.2 | -161.7 | 168.7 | 3.3 | 108.1 | ||||
| 810 | K | 27.7 | Very low | 27.1 | Very low | 203 Ų | 203 | 119.4 Ų | 119.4 | 88% | 0.883 | 62% | 0.616 | S | S | * | * | trans | -76.2 | 144.6 | 176 | -69.8 | -179.1 | 177.6 | 179.2 | 0 | 112.7 | ||||
| 811 | A | 26.1 | Very low | 27.1 | Very low | 59 Ų | 59 | 115.5 Ų | 115.5 | 49% | 0.488 | 61% | 0.605 | S | S | . | * | -169.8 | 133.5 | 129 | 0 | 0 | 0 | 0 | 0 | 109.4 | L1698 | A811-L1698 HydrophobicContact CB-CD2 3.6Å; A811-L1698 HydrophobicContact CB-CG 4.35Å | |||
| 812 | S | 28.2 | Very low | 27 | Very low | 74 Ų | 74 | 119.5 Ų | 119.5 | 52% | 0.517 | 61% | 0.606 | S | S | . | * | cis | 138.9 | 161.1 | -11.5 | 54 | 0 | 0 | 0 | 0 | 110 | ||||
| 813 | V | 25.8 | Very low | 27.1 | Very low | 77 Ų | 77 | 120.7 Ų | 120.7 | 47% | 0.467 | 61% | 0.606 | S | S | . | * | trans | 60.1 | 170.9 | 148.5 | 78.7 | 0 | 0 | 0 | 0 | 120.2 | N815 D1699 | V813-N815 WeakPolarHBondContact CG2-OD1 3.35Å; V813-D1699 WeakPolarHBondContact CG1-OD1 3.4Å | ||
| 814 | S | 28 | Very low | 27.2 | Very low | 64 Ų | 64 | 121.7 Ų | 121.7 | 45% | 0.448 | 60% | 0.604 | S | S | . | * | trans | 102.7 | 132.9 | 156 | -158.9 | 0 | 0 | 0 | 0 | 121.1 | D1699 | S814-D1699 WeakPolarHBondContact CB-O 3.3Å; S814-D1699 PolarHBondContact OG-O 3.45Å | ||
| 815 | N | 28.8 | Very low | 27.2 | Very low | 78 Ų | 78 | 120.5 Ų | 120.5 | 42% | 0.417 | 60% | 0.598 | S | S | . | * | -163.4 | 167.3 | -50.3 | -114.3 | 66.1 | 0 | 0 | 0 | 108.8 | V813 D1700 R1701 | V813-N815 WeakPolarHBondContact CG2-OD1 3.35Å; N815-D1700 WeakPolarHBondContact CB-O 3.34Å; N815-R1701 PolarHBondContact ND2-O 3.36Å | |||
| 816 | Y | 27.7 | Very low | 27.5 | Very low | 188 Ų | 188 | 119.2 Ų | 119.2 | 74% | 0.737 | 60% | 0.604 | S | S | * | * | -172.7 | 157.9 | 85.9 | -132.3 | -88.8 | 0 | 0 | 0 | 114.6 | |||||
| 817 | I | 31.6 | Very low | 27.7 | Very low | 96 Ų | 96 | 119.2 Ų | 119.2 | 49% | 0.492 | 60% | 0.598 | S | S | . | * | trans | -157.4 | 176.4 | 166.2 | -6.7 | 167 | 0 | 0 | 0 | 110.4 | S1702 D1703 | I817-S1702 CarbonylContact C-O 3.29Å; I817-S1702 CarbonylContact O-C 3.48Å; I817-D1703 VanDerWaalsContact C-N 3.28Å; I817-D1703 WeakPolarHBondContact CB-O 3.5Å; I817-D1703 VanDerWaalsContact CD1-O 3.25Å; I817-D1703 WeakPolarHBondContact CD1-O 3.49Å; I817-D1703 WeakPolarHBondContact CG2-O 3.44Å; I817-D1703 PolarHBondContact O-N 3.37Å | ||
| 818 | S | 26.9 | Very low | 27.8 | Very low | 79 Ų | 79 | 119.2 Ų | 119.2 | 55% | 0.552 | 60% | 0.598 | S | S | * | * | trans | -172.2 | 145.5 | 173.1 | -176.3 | 0 | 0 | 0 | 0 | 110.9 | D1703 R1704 | S818-D1703 VanDerWaalsContact CA-N 3.32Å; S818-R1704 CarbonylContact C-O 3.27Å; S818-R1704 CarbonylContact O-C 3.19Å; S818-R1704 WeakPolarHBondContact O-CA 3.44Å; S818-R1704 PolarHBondContact O-N 2.81Å | ||
| 819 | Y | 28 | Very low | 28 | Very low | 135 Ų | 135 | 120.7 Ų | 120.7 | 53% | 0.529 | 60% | 0.598 | S | S | . | * | cis | -161.7 | 122.4 | -30.1 | 165 | -123.4 | 0 | 0 | 0 | 109.6 | D1703 R1704 | Y819-D1703 HydrophobicContact CD2-CB 3.97Å; Y819-R1704 CarbonylContact C-O 3.49Å; Y819-R1704 VanDerWaalsContact C-O 3.27Å; Y819-R1704 VanDerWaalsContact N-N 3.15Å; Y819-R1704 PolarHBondContact N-O 2.7Å | ||
| 820 | S | 27.7 | Very low | 28.2 | Very low | 21 Ų | 21 | 116.3 Ų | 116.3 | 15% | 0.147 | 59% | 0.591 | C | S | . | * | trans | -171.4 | -160.3 | 176.8 | 50.9 | 0 | 0 | 0 | 0 | 113.8 | R1704 N1705 | S820-R1704 PolarHBondContact O-NH2 2.72Å; S820-R1704 VanDerWaalsContact O-NH2 3.13Å; S820-R1704 PolarHBondContact OG-O 2.9Å; S820-N1705 PolarHBondContact OG-ND2 2.71Å | ||
| 821 | Q | 29.5 | Very low | 28.3 | Very low | 123 Ų | 123 | 114.1 Ų | 114.1 | 58% | 0.575 | 59% | 0.587 | S | S | * | * | -120.9 | 170.9 | -103.9 | -74.2 | -85.3 | 81.4 | 0 | 0 | 109.6 | R1704 | Q821-R1704 PolarHBondContact O-NH1 3.48Š| |||
| 822 | R | 26.1 | Very low | 28.4 | Very low | 175 Ų | 175 | 118.3 Ų | 118.3 | 66% | 0.66 | 60% | 0.601 | S | S | * | * | cis | 95.2 | 142.6 | 10.8 | -62.9 | -168.3 | -176.8 | 164.8 | 2 | 116.3 | ||||
| 823 | N | 28.3 | Very low | 28.5 | Very low | 114 Ų | 114 | 118.5 Ų | 118.5 | 61% | 0.61 | 62% | 0.615 | S | S | * | * | cis | -158.1 | 165.9 | 8.3 | -127.6 | 26.4 | 0 | 0 | 0 | 117.3 | ||||
| 824 | D | 29.5 | Very low | 28.7 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 59% | 0.588 | 63% | 0.63 | S | S | * | * | trans | 78.7 | 118.3 | 140.7 | -66.2 | -25.4 | 0 | 0 | 0 | 127.3 | ||||
| 825 | N | 29 | Very low | 28.6 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 66% | 0.658 | 64% | 0.638 | S | S | * | * | 59 | 123.3 | 124.6 | -51.7 | -31.5 | 0 | 0 | 0 | 123.4 | |||||
| 826 | N | 30.5 | Very low | 28.5 | Very low | 145 Ų | 145 | 128.3 Ų | 128.3 | 78% | 0.775 | 66% | 0.657 | S | S | * | * | 176.2 | 152.9 | 98.2 | -99 | -53.4 | 0 | 0 | 0 | 118.5 | |||||
| 827 | I | 29 | Very low | 28.4 | Very low | 135 Ų | 135 | 123.6 Ų | 123.6 | 69% | 0.692 | 65% | 0.648 | S | S | * | * | trans | 68.7 | 93.8 | 142.5 | -64.6 | 166.2 | 0 | 0 | 0 | 121.2 | ||||
| 828 | N | 27.2 | Very low | 28.1 | Very low | 133 Ų | 133 | 126 Ų | 126 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | 62.9 | 128.7 | 113.3 | -71.3 | -43.3 | 0 | 0 | 0 | 125.9 | |||||
| 829 | K | 27.9 | Very low | 28.1 | Very low | 170 Ų | 170 | 130.5 Ų | 130.5 | 74% | 0.739 | 67% | 0.667 | S | S | * | * | 102.4 | 132.2 | 118.4 | -89.3 | 177.9 | 171.3 | -174.4 | 0 | 123.4 | |||||
| 830 | I | 27.6 | Very low | 27.9 | Very low | 141 Ų | 141 | 129.4 Ų | 129.4 | 72% | 0.723 | 67% | 0.67 | S | S | * | * | trans | 76.2 | 136.8 | 142.5 | -66.3 | 165.7 | 0 | 0 | 0 | 116.1 | ||||
| 831 | I | 30.6 | Very low | 28 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 81% | 0.805 | 70% | 0.696 | S | S | * | * | cis | -118.2 | 158.8 | 10.6 | -51.8 | 169.2 | 0 | 0 | 0 | 112.5 | ||||
| 832 | N | 28.8 | Very low | 27.9 | Very low | 147 Ų | 147 | 135.5 Ų | 135.5 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | trans | -68.8 | 177.9 | 176.6 | -47.5 | -20 | 0 | 0 | 0 | 115.3 | ||||
| 833 | G | 29.1 | Very low | 28.3 | Very low | 77 Ų | 77 | 132.9 Ų | 132.9 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | trans | -170.5 | -2.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 834 | E | 30 | Very low | 28.2 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | trans | 49.1 | 113.4 | 157.7 | -55.2 | -156.3 | 119.8 | 0 | 0 | 124.2 | ||||
| 835 | T | 27.7 | Very low | 28.2 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 63% | 0.632 | 73% | 0.729 | S | S | * | * | 56 | 129.2 | 110.7 | -34.3 | 0 | 0 | 0 | 0 | 122.2 | T837 | T835-T837 HydrophobicContact CG2-CG2 4.41Š| |||
| 836 | L | 25.3 | Very low | 28.1 | Very low | 155 Ų | 155 | 140.7 Ų | 140.7 | 81% | 0.812 | 74% | 0.736 | S | S | * | * | 169.1 | 80.7 | 117.1 | -85.5 | 169.6 | 0 | 0 | 0 | 115.8 | |||||
| 837 | T | 25.7 | Very low | 28 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 55% | 0.552 | 74% | 0.741 | S | S | * | * | 38.1 | 146 | 119.3 | 63.9 | 0 | 0 | 0 | 0 | 125.5 | T835 | T835-T837 HydrophobicContact CG2-CG2 4.41Š| |||
| 838 | H | 26.2 | Very low | 27.8 | Very low | 146 Ų | 146 | 140.5 Ų | 140.5 | 68% | 0.676 | 74% | 0.741 | S | S | * | * | trans | 72.3 | 158.2 | 148 | -65.7 | -49.4 | 0 | 0 | 0 | 118.3 | ||||
| 839 | F | 25.3 | Very low | 27.9 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | cis | -131 | 177.3 | 14 | -110.9 | -71.2 | 0 | 0 | 0 | 114.8 | ||||
| 840 | N | 24.7 | Very low | 27.8 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 59% | 0.594 | 74% | 0.735 | S | S | * | * | trans | -91.7 | 167 | -174.9 | -38.6 | -71.3 | 0 | 0 | 0 | 113.2 | ||||
| 841 | H | 29.9 | Very low | 27.8 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | 178.1 | 103.6 | 102.5 | -99.5 | -70.1 | 0 | 0 | 0 | 117.4 | |||||
| 842 | T | 27.1 | Very low | 27.6 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 76% | 0.755 | 74% | 0.741 | S | S | * | * | trans | 64.3 | 156 | 133.6 | 40.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 843 | P | 35.8 | Very low | 27.5 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 78% | 0.779 | 74% | 0.743 | S | S | * | * | trans | -137.6 | -172.3 | -146.6 | 44.9 | -27.5 | 0 | 0 | 0 | 116.8 | ||||
| 844 | R | 25.8 | Very low | 27.4 | Very low | 238 Ų | 238 | 142.1 Ų | 142.1 | 90% | 0.898 | 74% | 0.742 | S | S | * | * | trans | -155.9 | 147.3 | 154.5 | -120.3 | 170.5 | -176.3 | 174.1 | 0.7 | 115.5 | ||||
| 845 | S | 29.1 | Very low | 27.2 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 69% | 0.685 | 74% | 0.744 | S | S | * | * | trans | 37.4 | 111.4 | 159.5 | 49.4 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 846 | Q | 26.3 | Very low | 27.3 | Very low | 175 Ų | 175 | 143.5 Ų | 143.5 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | 81.1 | 115.8 | 59.4 | -73.6 | -177 | -9 | 0 | 0 | 116.8 | |||||
| 847 | S | 29.3 | Very low | 27.4 | Very low | 124 Ų | 124 | 143.8 Ų | 143.8 | 87% | 0.867 | 75% | 0.751 | S | S | * | * | -177.1 | 168.5 | 115.9 | 46.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 848 | H | 25.3 | Very low | 27.5 | Very low | 151 Ų | 151 | 151.2 Ų | 151.2 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | trans | -103.2 | 148.9 | -169 | -89.7 | -127.7 | 0 | 0 | 0 | 113.3 | R805 | R805-H848 PolarHBondContact NH2-NE2 3.01Š| ||
| 849 | R | 27.7 | Very low | 27.7 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 64% | 0.638 | 77% | 0.771 | S | S | * | * | -170.2 | 146.5 | 110.3 | -106.2 | -179.6 | -174.7 | 169.5 | 6.2 | 113.2 | Y800 S802 | Y800-R849 PolarHBondContact O-NH1 3.23Å; S802-R849 PolarHBondContact O-NH2 3.37Å | |||
| 850 | E | 26.7 | Very low | 28 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 69% | 0.692 | 77% | 0.767 | S | S | * | * | trans | -81.9 | 156.2 | 176.1 | -54.2 | 105.7 | 140.4 | 0 | 0 | 113.2 | ||||
| 851 | N | 27.7 | Very low | 28.6 | Very low | 156 Ų | 156 | 144 Ų | 144 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | trans | -156 | 146.4 | 149 | -131 | -35.8 | 0 | 0 | 0 | 111.8 | ||||
| 852 | L | 25.4 | Very low | 29.1 | Very low | 154 Ų | 154 | 139.9 Ų | 139.9 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | -88 | 123.8 | -171.4 | -66.2 | 83.9 | 0 | 0 | 0 | 111.6 | ||||
| 853 | N | 27.6 | Very low | 29.7 | Very low | 158 Ų | 158 | 140.1 Ų | 140.1 | 85% | 0.845 | 74% | 0.738 | S | S | * | * | trans | -148.5 | 11.6 | 169.7 | -97.9 | -40.7 | 0 | 0 | 0 | 115 | I855 | N853-I855 PolarHBondContact O-N 2.89Š| ||
| 854 | G | 26.6 | Very low | 29.8 | Very low | 75 Ų | 75 | 139.8 Ų | 139.8 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.5 | 43.8 | -168.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 855 | I | 26.3 | Very low | 30.4 | Very low | 159 Ų | 159 | 133.4 Ų | 133.4 | 82% | 0.815 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.3 | -13.5 | -174.2 | -68.1 | -176.7 | 0 | 0 | 0 | 115.2 | N853 | N853-I855 PolarHBondContact O-N 2.89Š|
| 856 | V | 29.1 | Very low | 31.1 | Very low | 140 Ų | 140 | 134.7 Ų | 134.7 | 85% | 0.848 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -117.6 | 40.8 | -171.4 | -157 | 0 | 0 | 0 | 0 | 114.5 | ||
| 857 | E | 28.1 | Very low | 31.9 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 75% | 0.748 | 68% | 0.68 | S | S | * | * | trans | -111.1 | -2.4 | -179.9 | -77.2 | -161.5 | 121.6 | 0 | 0 | 116.1 | G859 | E857-G859 PolarHBondContact O-N 3.38Š| ||
| 858 | R | 27.3 | Very low | 32.3 | Very low | 246 Ų | 246 | 130.4 Ų | 130.4 | 93% | 0.928 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 21.6 | -167.3 | -61.4 | -172.4 | -176.4 | 173 | 3.3 | 116 | ||
| 859 | G | 30 | Very low | 33.2 | Very low | 69 Ų | 69 | 126.9 Ų | 126.9 | 71% | 0.711 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.9 | -21.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | E857 | E857-G859 PolarHBondContact O-N 3.38Š|
| 860 | L | 33 | Very low | 34.1 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 69% | 0.686 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -128.8 | -3.7 | -164.9 | -84.7 | 160.7 | 0 | 0 | 0 | 115.3 | ||
| 861 | T | 37.2 | Very low | 34.8 | Very low | 81 Ų | 81 | 121.8 Ų | 121.8 | 50% | 0.497 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -87.3 | -30.7 | -169.4 | 42.3 | 0 | 0 | 0 | 0 | 114.5 | R865 | T861-R865 WeakPolarHBondContact O-CB 3.2Å; T861-R865 PolarHBondContact O-N 2.97Å |
| 862 | T | 38.7 | Very low | 35.3 | Very low | 63 Ų | 63 | 120.9 Ų | 120.9 | 39% | 0.387 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -58.5 | -51.3 | -179.6 | 33.1 | 0 | 0 | 0 | 0 | 113.4 | Q221 R864 R865 E866 | Q221-T862 VanDerWaalsContact NE2-CG2 3.26Å; T862-R864 VanDerWaalsContact C-N 3.35Å; T862-R864 PolarHBondContact O-N 3.45Å; T862-R865 WeakPolarHBondContact O-CA 3.26Å; T862-R865 WeakPolarHBondContact O-CB 3.39Å; T862-R865 PolarHBondContact O-N 2.85Å; T862-E866 PolarHBondContact O-N 3.37Å |
| 863 | K | 41.2 | Very low | 35.8 | Very low | 127 Ų | 127 | 117.4 Ų | 117.4 | 55% | 0.552 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63.6 | -38.8 | -173 | -147.8 | 169.9 | -173.2 | 174.5 | 0 | 112.6 | E867 | K863-E867 WeakPolarHBondContact O-CG 3.45Å; K863-E867 PolarHBondContact O-N 2.99Å |
| 864 | R | 38.4 | Very low | 36 | Very low | 113 Ų | 113 | 113.4 Ų | 113.4 | 43% | 0.426 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -72.6 | -29.4 | 171.9 | -84.4 | -176.5 | 172.2 | 170.4 | -1.2 | 113.2 | Y448 T862 L868 | Y448-R864 PolarHBondContact OH-NH2 3.02Å; T862-R864 VanDerWaalsContact C-N 3.35Å; T862-R864 PolarHBondContact O-N 3.45Å; R864-L868 VanDerWaalsContact O-CB 3.31Å; R864-L868 WeakPolarHBondContact O-CB 3.25Å; R864-L868 PolarHBondContact O-N 3.31Å |
| 865 | R | 36.4 | Very low | 36.1 | Very low | 105 Ų | 105 | 118.9 Ų | 118.9 | 40% | 0.396 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -69.5 | -41.4 | 173.8 | -121 | 176 | 173.7 | -158.6 | -12.3 | 111.7 | Q221 N222 T861 T862 L868 I869 | Q221-R865 VanDerWaalsContact O-CZ 3.23Å; Q221-R865 PolarHBondContact O-NH1 2.91Å; N222-R865 VanDerWaalsContact OD1-CZ 3.28Å; N222-R865 PolarHBondContact OD1-NH1 3.04Å; N222-R865 PolarHBondContact OD1-NH2 3.23Å; T861-R865 WeakPolarHBondContact O-CB 3.2Å; T861-R865 PolarHBondContact O-N 2.97Å; T862-R865 WeakPolarHBondContact O-CA 3.26Å; T862-R865 WeakPolarHBondContact O-CB 3.39Å; T862-R865 PolarHBondContact O-N 2.85Å; R865-L868 PolarHBondContact O-N 2.99Å; R865-I869 HydrophobicContact CB-CD1 4.46Å; R865-I869 HydrophobicContact CG-CD1 4.27Å; R865-I869 WeakPolarHBondContact O-CB 3.22Å; R865-I869 WeakPolarHBondContact O-CD1 3.44Å; R865-I869 WeakPolarHBondContact O-CG1 3.35Å; R865-I869 PolarHBondContact O-N 3.4Å |
| 866 | E | 44.2 | Very low | 36.3 | Very low | 125 Ų | 125 | 117.3 Ų | 117.3 | 58% | 0.584 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.8 | -43.2 | 173.2 | -70.4 | 179.7 | 168.3 | 0 | 0 | 111.6 | T862 N870 | T862-E866 PolarHBondContact O-N 3.37Å; E866-N870 WeakPolarHBondContact O-CB 3.21Å; E866-N870 PolarHBondContact O-N 3.4Å; E866-N870 PolarHBondContact O-ND2 3.18Å |
| 867 | E | 43 | Very low | 36.3 | Very low | 115 Ų | 115 | 115.6 Ų | 115.6 | 54% | 0.537 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.4 | -46.4 | 175.3 | -72.3 | 169 | 174.8 | 0 | 0 | 111.8 | K863 N870 I871 | K863-E867 WeakPolarHBondContact O-CG 3.45Å; K863-E867 PolarHBondContact O-N 2.99Å; E867-N870 PolarHBondContact O-N 2.78Å; E867-I871 WeakPolarHBondContact O-CD1 3.46Å; E867-I871 VanDerWaalsContact O-CG1 3.27Å; E867-I871 WeakPolarHBondContact O-CG1 3.26Å; E867-I871 PolarHBondContact O-N 3.15Å |
| 868 | L | 38.3 | Very low | 36.4 | Very low | 94 Ų | 94 | 113 Ų | 113 | 49% | 0.492 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.3 | -38 | 177.6 | -84 | 162.6 | 0 | 0 | 0 | 113.6 | R864 R865 I871 L872 | R864-L868 VanDerWaalsContact O-CB 3.31Å; R864-L868 WeakPolarHBondContact O-CB 3.25Å; R864-L868 PolarHBondContact O-N 3.31Å; R865-L868 PolarHBondContact O-N 2.99Å; L868-I871 PolarHBondContact O-N 3.3Å; L868-L872 VanDerWaalsContact O-CB 3.29Å; L868-L872 WeakPolarHBondContact O-CB 3.36Å; L868-L872 VanDerWaalsContact O-CG 3.23Å; L868-L872 WeakPolarHBondContact O-CG 3.38Å; L868-L872 PolarHBondContact O-N 2.86Å |
| 869 | I | 44.9 | Very low | 36.3 | Very low | 76 Ų | 76 | 108 Ų | 108 | 39% | 0.39 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -68.5 | -38 | 177.3 | -70.5 | 166.2 | 0 | 0 | 0 | 110.2 | R865 I871 L872 C873 | R865-I869 HydrophobicContact CB-CD1 4.46Å; R865-I869 HydrophobicContact CG-CD1 4.27Å; R865-I869 WeakPolarHBondContact O-CB 3.22Å; R865-I869 WeakPolarHBondContact O-CD1 3.44Å; R865-I869 WeakPolarHBondContact O-CG1 3.35Å; R865-I869 PolarHBondContact O-N 3.4Å; I869-I871 VanDerWaalsContact C-N 3.3Å; I869-I871 PolarHBondContact O-N 3.16Å; I869-L872 PolarHBondContact O-N 3.27Å; I869-C873 WeakPolarHBondContact O-CB 3.4Å; I869-C873 PolarHBondContact O-N 2.88Å; I869-C873 PolarHBondContact O-SG 3.07Å; I869-C873 VanDerWaalsContact O-SG 3.37Å |
| 870 | N | 45.5 | Very low | 36.3 | Very low | 80 Ų | 80 | 116 Ų | 116 | 43% | 0.428 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.3 | -28.6 | 173.2 | -75 | -61.1 | 0 | 0 | 0 | 113.1 | E866 E867 | E866-N870 WeakPolarHBondContact O-CB 3.21Å; E866-N870 PolarHBondContact O-N 3.4Å; E866-N870 PolarHBondContact O-ND2 3.18Å; E867-N870 PolarHBondContact O-N 2.78Å |
| 871 | I | 41 | Very low | 36 | Very low | 130 Ų | 130 | 118.4 Ų | 118.4 | 67% | 0.667 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -75.3 | -37.6 | 172.6 | -70.7 | 165.3 | 0 | 0 | 0 | 111.8 | E867 L868 I869 | E867-I871 WeakPolarHBondContact O-CD1 3.46Å; E867-I871 VanDerWaalsContact O-CG1 3.27Å; E867-I871 WeakPolarHBondContact O-CG1 3.26Å; E867-I871 PolarHBondContact O-N 3.15Å; L868-I871 PolarHBondContact O-N 3.3Å; I869-I871 VanDerWaalsContact C-N 3.3Å; I869-I871 PolarHBondContact O-N 3.16Å |
| 872 | L | 37.9 | Very low | 35.5 | Very low | 137 Ų | 137 | 123 Ų | 123 | 72% | 0.717 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -87.1 | -19.6 | -175.8 | -69.1 | 167.7 | 0 | 0 | 0 | 114.2 | L868 I869 | L868-L872 VanDerWaalsContact O-CB 3.29Å; L868-L872 WeakPolarHBondContact O-CB 3.36Å; L868-L872 VanDerWaalsContact O-CG 3.23Å; L868-L872 WeakPolarHBondContact O-CG 3.38Å; L868-L872 PolarHBondContact O-N 2.86Å; I869-L872 PolarHBondContact O-N 3.27Å |
| 873 | C | 36.9 | Very low | 35.1 | Very low | 82 Ų | 82 | 122.6 Ų | 122.6 | 55% | 0.554 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | 22.1 | -179.8 | -65.7 | 0 | 0 | 0 | 0 | 114.4 | I869 R875 | I869-C873 WeakPolarHBondContact O-CB 3.4Å; I869-C873 PolarHBondContact O-N 2.88Å; I869-C873 PolarHBondContact O-SG 3.07Å; I869-C873 VanDerWaalsContact O-SG 3.37Å; C873-R875 VanDerWaalsContact C-N 3.28Å; C873-R875 PolarHBondContact O-N 3.34Å; C873-R875 VanDerWaalsContact O-N 3.07Å |
| 874 | G | 31 | Very low | 34.5 | Very low | 73 Ų | 73 | 121.8 Ų | 121.8 | 75% | 0.753 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 62.8 | 20.7 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 875 | R | 30.3 | Very low | 34 | Very low | 191 Ų | 191 | 122 Ų | 122 | 72% | 0.721 | 64% | 0.64 | S | S | * | * | trans | -97.2 | 124.6 | -179.4 | -75 | -177.4 | 172.4 | -168.2 | -4.9 | 111.4 | C873 T877 | C873-R875 VanDerWaalsContact C-N 3.28Å; C873-R875 PolarHBondContact O-N 3.34Å; C873-R875 VanDerWaalsContact O-N 3.07Å; R875-T877 PolarHBondContact O-N 3.43Å | ||
| 876 | P | 29.3 | Very low | 33.6 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 82% | 0.818 | 66% | 0.66 | S | S | * | * | trans | -66.9 | 119.3 | 176.7 | 27.4 | -33.4 | 0 | 0 | 0 | 110.1 | P878 | P876-P878 WeakPolarHBondContact O-CD 3.29Š| ||
| 877 | T | 29.5 | Very low | 32.8 | Very low | 103 Ų | 103 | 126 Ų | 126 | 63% | 0.632 | 67% | 0.671 | S | S | * | * | trans | -97 | 111.8 | 176.4 | 35 | 0 | 0 | 0 | 0 | 109.8 | R875 V879 | R875-T877 PolarHBondContact O-N 3.43Å; T877-V879 PolarHBondContact O-N 3.02Å | ||
| 878 | P | 29.4 | Very low | 32 | Very low | 107 Ų | 107 | 126.2 Ų | 126.2 | 70% | 0.695 | 68% | 0.676 | S | S | * | * | trans | -77.4 | 116.9 | -170.7 | 28.9 | -34.5 | 0 | 0 | 0 | 112.2 | P876 R880 | P876-P878 WeakPolarHBondContact O-CD 3.29Å; P878-R880 VanDerWaalsContact C-N 3.31Å; P878-R880 PolarHBondContact O-N 2.95Å | ||
| 879 | V | 27 | Very low | 31.5 | Very low | 141 Ų | 141 | 129.2 Ų | 129.2 | 86% | 0.855 | 69% | 0.685 | S | S | * | * | trans | -74.5 | 82.7 | 170.5 | -176.4 | 0 | 0 | 0 | 0 | 109.3 | T877 K881 | T877-V879 PolarHBondContact O-N 3.02Å; V879-K881 PolarHBondContact O-N 3.06Å; V879-K881 VanDerWaalsContact O-N 3.16Å | ||
| 880 | R | 28.3 | Very low | 30.7 | Very low | 237 Ų | 237 | 130.2 Ų | 130.2 | 89% | 0.894 | 70% | 0.699 | S | S | * | * | trans | -68.2 | 110.2 | 179.9 | -79.7 | -169.3 | 171.1 | -170.2 | -3 | 112 | P878 | P878-R880 VanDerWaalsContact C-N 3.31Å; P878-R880 PolarHBondContact O-N 2.95Å | ||
| 881 | K | 27.5 | Very low | 29.9 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 79% | 0.787 | 72% | 0.72 | S | S | * | * | trans | -88 | 140.8 | 156 | -72.2 | -179.1 | 177.3 | -179.5 | 0 | 109.4 | V879 | V879-K881 PolarHBondContact O-N 3.06Å; V879-K881 VanDerWaalsContact O-N 3.16Å | ||
| 882 | Y | 27.7 | Very low | 29.4 | Very low | 177 Ų | 177 | 132.5 Ų | 132.5 | 69% | 0.694 | 73% | 0.726 | S | S | * | * | trans | 52.6 | 164.7 | 144.3 | -82.6 | -88.8 | 0 | 0 | 0 | 123.1 | G318 | G318-Y882 PolarHBondContact O-OH 3.15Š| ||
| 883 | S | 29.6 | Very low | 29.1 | Very low | 54 Ų | 54 | 132 Ų | 132 | 38% | 0.378 | 73% | 0.728 | S | S | . | * | trans | 79.7 | 130.2 | 159.4 | -56.2 | 0 | 0 | 0 | 0 | 119.4 | F939 | S883-F939 VanDerWaalsContact OG-CD1 3.31Å; S883-F939 WeakPolarHBondContact OG-CD1 3.25Å; S883-F939 WeakPolarHBondContact OG-CD2 3.22Å; S883-F939 VanDerWaalsContact OG-CE1 3.31Å; S883-F939 WeakPolarHBondContact OG-CE1 3.38Å; S883-F939 WeakPolarHBondContact OG-CE2 3.38Å; S883-F939 WeakPolarHBondContact OG-CG 3.11Å; S883-F939 WeakPolarHBondContact OG-CZ 3.49Å | ||
| 884 | P | 29 | Very low | 28.7 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 71% | 0.714 | 74% | 0.74 | S | S | * | * | trans | -97.1 | -170.4 | 167.9 | 40.1 | -35.2 | 0 | 0 | 0 | 112.9 | ||||
| 885 | T | 28.4 | Very low | 28.8 | Very low | 119 Ų | 119 | 138.9 Ų | 138.9 | 73% | 0.73 | 74% | 0.737 | S | S | * | * | trans | 71.2 | 107.3 | 167.6 | 49 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 886 | L | 26.8 | Very low | 28.9 | Very low | 158 Ų | 158 | 135 Ų | 135 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | 68.9 | 144.1 | 129 | -67.9 | 168.1 | 0 | 0 | 0 | 123.3 | |||||
| 887 | L | 27 | Very low | 29.3 | Very low | 154 Ų | 154 | 134.3 Ų | 134.3 | 81% | 0.806 | 73% | 0.729 | S | S | * | * | trans | 73.3 | 78.8 | 156.8 | -69.7 | 161.7 | 0 | 0 | 0 | 120.5 | ||||
| 888 | D | 27.8 | Very low | 29.6 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 65% | 0.647 | 73% | 0.727 | S | S | * | * | 63.3 | 145.7 | 104.3 | -157 | 29.2 | 0 | 0 | 0 | 123.1 | |||||
| 889 | K | 27.7 | Very low | 30 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 68% | 0.683 | 73% | 0.725 | S | S | * | * | trans | 94.9 | 145.9 | 159.1 | -54.9 | -155.1 | 174.4 | -177.7 | 0 | 124.1 | I934 | K889-I934 HydrophobicContact CB-CD1 4.34Š| ||
| 890 | S | 26.8 | Very low | 30.3 | Very low | 97 Ų | 97 | 137.9 Ų | 137.9 | 68% | 0.678 | 72% | 0.719 | S | S | * | * | trans | 69.8 | 90.9 | 164.8 | 45.6 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 891 | D | 29.6 | Very low | 30.5 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 86% | 0.861 | 71% | 0.711 | S | S | * | * | trans | -74.7 | 151.2 | 143.8 | -57 | -81.3 | 0 | 0 | 0 | 111.5 | ||||
| 892 | A | 29.8 | Very low | 30.6 | Very low | 96 Ų | 96 | 130.2 Ų | 130.2 | 79% | 0.793 | 71% | 0.708 | S | S | * | * | trans | -166.8 | 116.2 | 142.8 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 893 | V | 32 | Very low | 30.8 | Very low | 127 Ų | 127 | 128.4 Ų | 128.4 | 77% | 0.77 | 71% | 0.709 | S | S | * | * | cis | 84.9 | 122.9 | 46.5 | 176.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 894 | D | 28.5 | Very low | 31 | Very low | 152 Ų | 152 | 131 Ų | 131 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | trans | -163.4 | 135.4 | 164.3 | -132.4 | 30.9 | 0 | 0 | 0 | 107.4 | ||||
| 895 | E | 31.9 | Very low | 31.2 | Very low | 147 Ų | 147 | 133.6 Ų | 133.6 | 69% | 0.687 | 72% | 0.719 | S | S | * | * | cis | -162.1 | -173.7 | -25.7 | -144.2 | -139.4 | -174.8 | 0 | 0 | 110.9 | ||||
| 896 | T | 34.4 | Very low | 31.5 | Very low | 110 Ų | 110 | 134.2 Ų | 134.2 | 68% | 0.675 | 72% | 0.717 | S | S | * | * | trans | 77.3 | 141.5 | 166 | 79 | 0 | 0 | 0 | 0 | 118 | ||||
| 897 | T | 35.8 | Very low | 31.7 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | cis | -160.8 | 173.4 | -10.5 | 24 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 898 | N | 36.1 | Very low | 32 | Very low | 112 Ų | 112 | 134 Ų | 134 | 60% | 0.599 | 70% | 0.703 | S | S | * | * | cis | -166.4 | 156.3 | 22.3 | -133.9 | -46 | 0 | 0 | 0 | 113.2 | ||||
| 899 | K | 38.3 | Very low | 31.9 | Very low | 150 Ų | 150 | 134.9 Ų | 134.9 | 65% | 0.652 | 71% | 0.707 | S | S | * | * | trans | 72.3 | 150.2 | 154.7 | -64 | 166.7 | -171.8 | 174.6 | 0 | 119.9 | ||||
| 900 | K | 34.4 | Very low | 31.8 | Very low | 164 Ų | 164 | 134.4 Ų | 134.4 | 71% | 0.713 | 71% | 0.707 | S | S | * | * | cis | 166.6 | 131.4 | -32.3 | -111.4 | -179.4 | 179.5 | -177.7 | 0 | 108.4 | ||||
| 901 | T | 31.6 | Very low | 31.9 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 73% | 0.73 | 71% | 0.706 | S | S | * | * | trans | 159.8 | 148.3 | 149.2 | 36.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 902 | L | 30.4 | Very low | 31.8 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 72% | 0.723 | 70% | 0.698 | S | S | * | * | cis | -157.6 | 150.7 | -2.9 | -117.9 | 163.8 | 0 | 0 | 0 | 109.9 | ||||
| 903 | L | 31.2 | Very low | 31.6 | Very low | 139 Ų | 139 | 136.7 Ų | 136.7 | 73% | 0.728 | 69% | 0.689 | S | S | * | * | trans | 69.9 | 145.3 | 161.8 | -55.4 | 164.2 | 0 | 0 | 0 | 117.1 | ||||
| 904 | N | 32.6 | Very low | 31.5 | Very low | 108 Ų | 108 | 137.8 Ų | 137.8 | 58% | 0.578 | 69% | 0.686 | S | S | * | * | cis | -155.7 | 137.9 | -0.5 | -133.3 | -12 | 0 | 0 | 0 | 112.7 | ||||
| 905 | K | 35.1 | Very low | 31.3 | Very low | 165 Ų | 165 | 137.5 Ų | 137.5 | 72% | 0.717 | 68% | 0.679 | S | S | * | * | trans | 65.2 | 143.7 | 152.9 | -63.7 | 167.2 | -176.1 | -178.3 | 0 | 119 | ||||
| 906 | N | 32.9 | Very low | 31 | Very low | 131 Ų | 131 | 136 Ų | 136 | 70% | 0.701 | 68% | 0.676 | S | S | * | * | cis | -158.3 | 144.9 | -12.8 | -119.8 | 16.1 | 0 | 0 | 0 | 112.9 | ||||
| 907 | D | 31.8 | Very low | 30.8 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 57% | 0.567 | 68% | 0.68 | S | S | * | * | trans | 50.9 | 123 | 138.3 | -80.3 | 25.4 | 0 | 0 | 0 | 124.5 | ||||
| 908 | R | 32.5 | Very low | 30.4 | Very low | 202 Ų | 202 | 140.4 Ų | 140.4 | 76% | 0.762 | 68% | 0.681 | S | S | * | * | trans | 96.1 | 94 | 130.3 | -70.5 | 171.2 | -151.9 | -116.4 | -8.1 | 121.5 | ||||
| 909 | L | 26.2 | Very low | 30 | Very low | 140 Ų | 140 | 141.8 Ų | 141.8 | 73% | 0.733 | 69% | 0.688 | S | S | * | * | 59.1 | 126.9 | 105.7 | -69.5 | 176.5 | 0 | 0 | 0 | 120.8 | |||||
| 910 | Q | 26.9 | Very low | 29.6 | Very low | 146 Ų | 146 | 141.2 Ų | 141.2 | 68% | 0.682 | 69% | 0.692 | S | S | * | * | trans | 91.4 | 142.4 | 130.8 | -80.7 | 175.7 | 14 | 0 | 0 | 121.4 | ||||
| 911 | Q | 28.8 | Very low | 29.5 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 65% | 0.654 | 69% | 0.692 | S | S | * | * | trans | 74.2 | 101.9 | 146.5 | -74.4 | 167.4 | 25.7 | 0 | 0 | 119.5 | ||||
| 912 | Q | 26.8 | Very low | 29.5 | Very low | 149 Ų | 149 | 142.5 Ų | 142.5 | 70% | 0.696 | 69% | 0.691 | S | S | * | * | 71.3 | 138.1 | 112.1 | -80.8 | -179.8 | -46.5 | 0 | 0 | 121.2 | |||||
| 913 | N | 25.9 | Very low | 29.4 | Very low | 114 Ų | 114 | 142.4 Ų | 142.4 | 61% | 0.61 | 69% | 0.691 | S | S | * | * | trans | 75 | 119.7 | 139.9 | -65.1 | 2.9 | 0 | 0 | 0 | 120 | ||||
| 914 | H | 28.7 | Very low | 29.2 | Very low | 149 Ų | 149 | 141.6 Ų | 141.6 | 69% | 0.69 | 68% | 0.683 | S | S | * | * | 69 | 121.1 | 129.9 | -69 | -48.5 | 0 | 0 | 0 | 121 | |||||
| 915 | Q | 25.8 | Very low | 29 | Very low | 146 Ų | 146 | 140 Ų | 140 | 68% | 0.682 | 67% | 0.673 | S | S | * | * | 83.6 | 119.7 | 125.5 | -73.5 | -177 | -97.7 | 0 | 0 | 119.7 | |||||
| 916 | D | 25.9 | Very low | 28.5 | Very low | 116 Ų | 116 | 136.9 Ų | 136.9 | 62% | 0.62 | 66% | 0.664 | S | S | * | * | 74.1 | 114.2 | 124.8 | -53.3 | -16.3 | 0 | 0 | 0 | 120 | |||||
| 917 | H | 29.2 | Very low | 28.2 | Very low | 162 Ų | 162 | 138.1 Ų | 138.1 | 75% | 0.75 | 67% | 0.669 | S | S | * | * | 96.6 | 128.1 | 127.8 | -86.8 | -38.2 | 0 | 0 | 0 | 121.2 | |||||
| 918 | Q | 28 | Very low | 28 | Very low | 152 Ų | 152 | 138.5 Ų | 138.5 | 71% | 0.71 | 68% | 0.677 | S | S | * | * | trans | 85.9 | 111.5 | 141.7 | -68.2 | 170.4 | 37.1 | 0 | 0 | 119.2 | ||||
| 919 | L | 26.3 | Very low | 28 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | trans | 32.1 | 123.8 | 132.2 | -71.8 | 75.3 | 0 | 0 | 0 | 117.8 | ||||
| 920 | N | 30.5 | Very low | 28.1 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 73% | 0.733 | 68% | 0.676 | S | S | * | * | -166.1 | 159.5 | 88.8 | -99.5 | -54.3 | 0 | 0 | 0 | 114.4 | |||||
| 921 | H | 33.5 | Very low | 28.4 | Very low | 156 Ų | 156 | 134.8 Ų | 134.8 | 72% | 0.722 | 68% | 0.675 | S | S | * | * | trans | 29.3 | 115.2 | 158 | -81.6 | -107.2 | 0 | 0 | 0 | 120.1 | ||||
| 922 | H | 31.2 | Very low | 28.3 | Very low | 155 Ų | 155 | 135.1 Ų | 135.1 | 72% | 0.718 | 68% | 0.676 | S | S | * | * | 66.4 | 101.4 | 80.6 | -92.2 | -62.6 | 0 | 0 | 0 | 114.7 | |||||
| 923 | L | 27.1 | Very low | 28.2 | Very low | 136 Ų | 136 | 135 Ų | 135 | 71% | 0.712 | 68% | 0.68 | S | S | * | * | 167.6 | 126.1 | 106.3 | -86.1 | 162.3 | 0 | 0 | 0 | 110.9 | |||||
| 924 | Q | 27.8 | Very low | 28.3 | Very low | 122 Ų | 122 | 135.2 Ų | 135.2 | 57% | 0.57 | 68% | 0.68 | S | S | * | * | 47.7 | 137 | 122.5 | -55.6 | -166.4 | -29.4 | 0 | 0 | 120.5 | E1195 | Q924-E1195 VanDerWaalsContact CG-OE2 3.25Å; Q924-E1195 WeakPolarHBondContact CG-OE2 3.24Å; Q924-E1195 PolarHBondContact NE2-OE2 2.92Å | |||
| 925 | Q | 27.3 | Very low | 28.1 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 35% | 0.35 | 68% | 0.676 | S | S | . | * | cis | -165.4 | 157.8 | 0.3 | -122.2 | 167.9 | 25.8 | 0 | 0 | 112.2 | S1193 E1195 | Q925-S1193 VanDerWaalsContact NE2-CB 3.33Å; Q925-S1193 PolarHBondContact NE2-OG 2.86Å; Q925-S1193 PolarHBondContact OE1-OG 3.36Å; Q925-E1195 VanDerWaalsContact CG-CD 3.4Å; Q925-E1195 HydrophobicContact CG-CG 4.04Å; Q925-E1195 WeakPolarHBondContact CG-OE1 3.43Å; Q925-E1195 PolarHBondContact NE2-OE2 2.84Å | ||
| 926 | N | 25.4 | Very low | 28.2 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 53% | 0.529 | 69% | 0.689 | S | S | . | * | trans | 61.4 | 126 | 158.4 | -54 | -35.2 | 0 | 0 | 0 | 118.8 | ||||
| 927 | L | 27.2 | Very low | 28.1 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 82% | 0.817 | 69% | 0.685 | S | S | * | * | trans | 63.1 | 122.8 | -169.8 | -67.7 | 73.9 | 0 | 0 | 0 | 111.4 | ||||
| 928 | P | 27 | Very low | 28 | Very low | 114 Ų | 114 | 130.7 Ų | 130.7 | 74% | 0.74 | 68% | 0.679 | S | S | * | * | -102.2 | 135.3 | 66.1 | -15.6 | 32.6 | 0 | 0 | 0 | 116.1 | Q930 | P928-Q930 PolarHBondContact O-N 3.01Š| |||
| 929 | V | 32.3 | Very low | 27.8 | Very low | 101 Ų | 101 | 130.5 Ų | 130.5 | 61% | 0.612 | 68% | 0.676 | S | S | * | * | 41.9 | 72 | 113.1 | -170.6 | 0 | 0 | 0 | 0 | 114.9 | I931 | V929-I931 HydrophobicContact CG1-CB 3.83Å; V929-I931 HydrophobicContact CG1-CD1 3.93Å; V929-I931 HydrophobicContact CG1-CG1 3.82Å; V929-I931 PolarHBondContact O-N 3.02Å | |||
| 930 | Q | 28.2 | Very low | 28 | Very low | 183 Ų | 183 | 129.4 Ų | 129.4 | 86% | 0.855 | 68% | 0.68 | S | S | * | * | trans | -80 | 55.6 | 171 | -63.2 | -179.3 | -5.5 | 0 | 0 | 111.5 | P928 | P928-Q930 PolarHBondContact O-N 3.01Š| ||
| 931 | I | 33.4 | Very low | 27.8 | Very low | 127 Ų | 127 | 125.5 Ų | 125.5 | 65% | 0.651 | 66% | 0.664 | S | S | * | * | trans | -120 | 125.4 | -160.9 | -60.9 | -169.3 | 0 | 0 | 0 | 112.8 | V929 | V929-I931 HydrophobicContact CG1-CB 3.83Å; V929-I931 HydrophobicContact CG1-CD1 3.93Å; V929-I931 HydrophobicContact CG1-CG1 3.82Å; V929-I931 PolarHBondContact O-N 3.02Å | ||
| 932 | E | 26 | Very low | 27.5 | Very low | 146 Ų | 146 | 126.2 Ų | 126.2 | 68% | 0.682 | 67% | 0.667 | S | S | * | * | cis | -161.4 | 167.6 | -23.7 | -136.8 | 154 | -160 | 0 | 0 | 112.8 | I934 | E932-I934 PolarHBondContact O-N 3.23Š| ||
| 933 | N | 25.7 | Very low | 27.2 | Very low | 148 Ų | 148 | 125.7 Ų | 125.7 | 79% | 0.791 | 67% | 0.668 | S | S | * | * | trans | -35.1 | 112.3 | 173 | -57.8 | -67.9 | 0 | 0 | 0 | 117.1 | ||||
| 934 | I | 27.6 | Very low | 27.1 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 60% | 0.6 | 67% | 0.674 | S | S | * | * | trans | -122.1 | 128.5 | 144.9 | -59.4 | -177.6 | 0 | 0 | 0 | 108.1 | K889 E932 | K889-I934 HydrophobicContact CB-CD1 4.34Å; E932-I934 PolarHBondContact O-N 3.23Å | ||
| 935 | S | 24.4 | Very low | 27.1 | Very low | 88 Ų | 88 | 128 Ų | 128 | 62% | 0.615 | 67% | 0.668 | S | S | * | * | trans | -92.1 | 130.5 | -144.1 | 69.9 | 0 | 0 | 0 | 0 | 116.2 | S937 | S935-S937 PolarHBondContact O-N 3.34Å; S935-S937 WeakPolarHBondContact OG-CB 3.29Å | ||
| 936 | K | 27.5 | Very low | 27.1 | Very low | 219 Ų | 219 | 127.8 Ų | 127.8 | 95% | 0.952 | 67% | 0.673 | S | S | * | * | trans | -68.9 | 77.3 | 145 | -69.4 | 176.5 | -179.1 | 171.7 | 0 | 107.6 | ||||
| 937 | S | 24.8 | Very low | 27.3 | Very low | 76 Ų | 76 | 128.5 Ų | 128.5 | 53% | 0.531 | 67% | 0.673 | S | S | . | * | trans | -61.5 | 131.6 | -162.2 | 59.9 | 0 | 0 | 0 | 0 | 113.5 | S935 F939 | S935-S937 PolarHBondContact O-N 3.34Å; S935-S937 WeakPolarHBondContact OG-CB 3.29Å; S937-F939 PolarHBondContact O-N 3.32Å | ||
| 938 | P | 26.8 | Very low | 27.6 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 62% | 0.623 | 66% | 0.663 | S | S | * | * | trans | -84 | 73.5 | -168.5 | 33.8 | -37 | 0 | 0 | 0 | 112.6 | S940 S941 | P938-S940 VanDerWaalsContact C-N 3.31Å; P938-S941 WeakPolarHBondContact O-CB 3.42Å; P938-S941 PolarHBondContact O-N 3.19Å; P938-S941 PolarHBondContact O-OG 3.4Å | ||
| 939 | F | 24.9 | Very low | 27.9 | Very low | 147 Ų | 147 | 121.6 Ų | 121.6 | 65% | 0.645 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.2 | 19 | 158.2 | -74.7 | -68 | 0 | 0 | 0 | 113.4 | S883 S937 S941 | S883-F939 VanDerWaalsContact OG-CD1 3.31Å; S883-F939 WeakPolarHBondContact OG-CD1 3.25Å; S883-F939 WeakPolarHBondContact OG-CD2 3.22Å; S883-F939 VanDerWaalsContact OG-CE1 3.31Å; S883-F939 WeakPolarHBondContact OG-CE1 3.38Å; S883-F939 WeakPolarHBondContact OG-CE2 3.38Å; S883-F939 WeakPolarHBondContact OG-CG 3.11Å; S883-F939 WeakPolarHBondContact OG-CZ 3.49Å; S937-F939 PolarHBondContact O-N 3.32Å; F939-S941 VanDerWaalsContact C-N 3.27Å |
| 940 | S | 29.3 | Very low | 27.8 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 83% | 0.832 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 29.4 | 136.7 | -169.9 | 0 | 0 | 0 | 0 | 111.4 | P938 Q942 | P938-S940 VanDerWaalsContact C-N 3.31Å; S940-Q942 PolarHBondContact O-N 2.99Å |
| 941 | S | 25.9 | Very low | 27.9 | Very low | 56 Ų | 56 | 115.9 Ų | 115.9 | 39% | 0.392 | 60% | 0.6 | S | S | . | * | trans | -55.6 | 122.5 | 153.9 | 36.6 | 0 | 0 | 0 | 0 | 107.3 | P938 F939 I943 | P938-S941 WeakPolarHBondContact O-CB 3.42Å; P938-S941 PolarHBondContact O-N 3.19Å; P938-S941 PolarHBondContact O-OG 3.4Å; F939-S941 VanDerWaalsContact C-N 3.27Å; S941-I943 VanDerWaalsContact C-N 3.33Å; S941-I943 PolarHBondContact O-N 3.24Å | ||
| 942 | Q | 27.2 | Very low | 27.8 | Very low | 170 Ų | 170 | 113.2 Ų | 113.2 | 79% | 0.794 | 59% | 0.587 | S | S | * | * | trans | -53.1 | 110.4 | 150.7 | -66.3 | 168.5 | -8.6 | 0 | 0 | 105 | S940 R944 | S940-Q942 PolarHBondContact O-N 2.99Å; Q942-R944 PolarHBondContact O-N 3.12Å | ||
| 943 | I | 26.6 | Very low | 28.2 | Very low | 144 Ų | 144 | 109.8 Ų | 109.8 | 74% | 0.738 | 57% | 0.568 | S | S | * | * | trans | -56.5 | 106.5 | 159 | -65.3 | 177.2 | 0 | 0 | 0 | 103 | S941 I945 | S941-I943 VanDerWaalsContact C-N 3.33Å; S941-I943 PolarHBondContact O-N 3.24Å; I943-I945 PolarHBondContact O-N 3.34Å | ||
| 944 | R | 24.9 | Very low | 28.3 | Very low | 221 Ų | 221 | 104.5 Ų | 104.5 | 83% | 0.834 | 55% | 0.548 | S | S | * | . | trans | -66.4 | 89.6 | 174.4 | -77 | -171.6 | 178.4 | -178.6 | 2.3 | 105.1 | Q942 P946 | Q942-R944 PolarHBondContact O-N 3.12Å; R944-P946 VanDerWaalsContact O-CD 3.3Å; R944-P946 WeakPolarHBondContact O-CD 3.38Å | ||
| 945 | I | 27.9 | Very low | 28.3 | Very low | 85 Ų | 85 | 105.3 Ų | 105.3 | 44% | 0.436 | 56% | 0.561 | S | S | . | * | trans | -44.1 | 113.6 | 172.8 | -55.5 | 175.2 | 0 | 0 | 0 | 104.2 | I943 E947 V949 A950 | I943-I945 PolarHBondContact O-N 3.34Å; I945-E947 PolarHBondContact O-N 3.33Å; I945-V949 HydrophobicContact CG2-CB 3.77Å; I945-V949 HydrophobicContact CG2-CG1 3.66Å; I945-A950 HydrophobicContact CB-CB 4.2Å; I945-A950 HydrophobicContact CG2-CB 3.83Å | ||
| 946 | P | 26.8 | Very low | 28.6 | Very low | 71 Ų | 71 | 108.8 Ų | 108.8 | 46% | 0.461 | 56% | 0.561 | S | S | . | * | trans | -49.8 | 132.1 | -175.1 | -29.3 | 35.6 | 0 | 0 | 0 | 107.5 | R944 N948 V949 A950 | R944-P946 VanDerWaalsContact O-CD 3.3Å; R944-P946 WeakPolarHBondContact O-CD 3.38Å; P946-N948 VanDerWaalsContact C-OD1 3.23Å; P946-N948 WeakPolarHBondContact CB-OD1 3.42Å; P946-N948 CarbonylContact O-C 3.44Å; P946-N948 PolarHBondContact O-N 3.49Å; P946-V949 HydrophobicContact CB-CG2 4.2Å; P946-V949 HydrophobicContact CG-CG2 4.4Å; P946-V949 WeakPolarHBondContact O-CA 3.48Å; P946-V949 WeakPolarHBondContact O-CB 3.37Å; P946-V949 PolarHBondContact O-N 3.3Å; P946-A950 PolarHBondContact O-N 3.31Å; P946-A950 VanDerWaalsContact O-N 3.14Å | ||
| 947 | E | 29.8 | Very low | 28.8 | Very low | 114 Ų | 114 | 108.9 Ų | 108.9 | 53% | 0.533 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.9 | -28.2 | -159.1 | -139.6 | -158.3 | 119 | 0 | 0 | 112 | I945 A950 R951 | I945-E947 PolarHBondContact O-N 3.33Å; E947-A950 PolarHBondContact O-N 3.18Å; E947-R951 VanDerWaalsContact O-CB 3.32Å; E947-R951 WeakPolarHBondContact O-CB 3.21Å; E947-R951 WeakPolarHBondContact O-CD 3.33Å; E947-R951 WeakPolarHBondContact O-CG 3.36Å; E947-R951 PolarHBondContact O-N 2.92Å; E947-R951 IonicContact OE1-CZ 2.66Å; E947-R951 VanDerWaalsContact OE1-CZ 3.23Å; E947-R951 IonicContact OE1-NE 2.68Å; E947-R951 PolarHBondContact OE1-NE 3.48Å; E947-R951 IonicContact OE1-NH2 3.88Å; E947-R951 PolarHBondContact OE1-NH2 3.15Å; E947-R951 IonicContact OE2-NH2 2.66Å; E947-R951 PolarHBondContact OE2-NH2 3.27Å |
| 948 | N | 32.6 | Very low | 29.7 | Very low | 112 Ų | 112 | 106 Ų | 106 | 60% | 0.599 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -55.3 | -38.5 | 166.1 | 49.6 | -62.2 | 0 | 0 | 0 | 115.4 | P946 | P946-N948 VanDerWaalsContact C-OD1 3.23Å; P946-N948 WeakPolarHBondContact CB-OD1 3.42Å; P946-N948 CarbonylContact O-C 3.44Å; P946-N948 PolarHBondContact O-N 3.49Å |
| 949 | V | 34.3 | Very low | 31 | Very low | 14 Ų | 14 | 104 Ų | 104 | 9% | 0.085 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -77.1 | -42 | 174.9 | 177.5 | 0 | 0 | 0 | 0 | 111.3 | Y466 I945 P946 R951 L952 | Y466-V949 WeakPolarHBondContact OH-CG1 3.38Å; I945-V949 HydrophobicContact CG2-CB 3.77Å; I945-V949 HydrophobicContact CG2-CG1 3.66Å; P946-V949 HydrophobicContact CB-CG2 4.2Å; P946-V949 HydrophobicContact CG-CG2 4.4Å; P946-V949 WeakPolarHBondContact O-CA 3.48Å; P946-V949 WeakPolarHBondContact O-CB 3.37Å; P946-V949 PolarHBondContact O-N 3.3Å; V949-R951 PolarHBondContact O-N 3.21Å; V949-L952 WeakPolarHBondContact O-CB 3.3Å; V949-L952 PolarHBondContact O-N 3.5Å |
| 950 | A | 29.7 | Very low | 33.1 | Very low | 43 Ų | 43 | 100 Ų | 100 | 36% | 0.355 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.3 | -37.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | I945 P946 E947 L952 Y953 G954 | I945-A950 HydrophobicContact CB-CB 4.2Å; I945-A950 HydrophobicContact CG2-CB 3.83Å; P946-A950 PolarHBondContact O-N 3.31Å; P946-A950 VanDerWaalsContact O-N 3.14Å; E947-A950 PolarHBondContact O-N 3.18Å; A950-L952 PolarHBondContact O-N 3.18Å; A950-Y953 PolarHBondContact O-N 3.11Å; A950-G954 PolarHBondContact O-N 3.15Å; A950-G954 VanDerWaalsContact O-N 3.08Å |
| 951 | R | 29.8 | Very low | 35.6 | Very low | 120 Ų | 120 | 100 Ų | 100 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.7 | -7.3 | 173.4 | -69.9 | 163.2 | -172.2 | -163.6 | 4 | 114.2 | E947 V949 R956 | E947-R951 VanDerWaalsContact O-CB 3.32Å; E947-R951 WeakPolarHBondContact O-CB 3.21Å; E947-R951 WeakPolarHBondContact O-CD 3.33Å; E947-R951 WeakPolarHBondContact O-CG 3.36Å; E947-R951 PolarHBondContact O-N 2.92Å; E947-R951 IonicContact OE1-CZ 2.66Å; E947-R951 VanDerWaalsContact OE1-CZ 3.23Å; E947-R951 IonicContact OE1-NE 2.68Å; E947-R951 PolarHBondContact OE1-NE 3.48Å; E947-R951 IonicContact OE1-NH2 3.88Å; E947-R951 PolarHBondContact OE1-NH2 3.15Å; E947-R951 IonicContact OE2-NH2 2.66Å; E947-R951 PolarHBondContact OE2-NH2 3.27Å; V949-R951 PolarHBondContact O-N 3.21Å; R951-R956 VanDerWaalsContact O-CG 3.23Å; R951-R956 WeakPolarHBondContact O-CG 3.43Å; R951-R956 PolarHBondContact O-NE 3.03Å |
| 952 | L | 31.5 | Very low | 38.6 | Very low | 72 Ų | 72 | 97.3 Ų | 97.3 | 38% | 0.377 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -84.5 | -31.6 | 174.3 | -72.9 | 168.2 | 0 | 0 | 0 | 113.3 | V949 A950 | V949-L952 WeakPolarHBondContact O-CB 3.3Å; V949-L952 PolarHBondContact O-N 3.5Å; A950-L952 PolarHBondContact O-N 3.18Å |
| 953 | Y | 34.4 | Very low | 41.3 | Very low | 74 Ų | 74 | 91.8 Ų | 91.8 | 29% | 0.29 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -127.4 | -16.6 | -169.7 | -66.1 | -69.1 | 0 | 0 | 0 | 116.1 | K322 Q533 A950 | K322-Y953 VanDerWaalsContact NZ-CD1 3.31Å; Q533-Y953 PolarHBondContact NE2-OH 3.1Å; A950-Y953 PolarHBondContact O-N 3.11Å |
| 954 | G | 28.2 | Very low | 44 | Very low | 36 Ų | 36 | 88 Ų | 88 | 37% | 0.371 | 44% | 0.442 | S | S | . | . | S | Bend | trans | -72.3 | 158.2 | 163.9 | 0 | 0 | 0 | 0 | 0 | 111 | A950 R956 | A950-G954 PolarHBondContact O-N 3.15Å; A950-G954 VanDerWaalsContact O-N 3.08Å; G954-R956 PolarHBondContact O-N 3.12Å |
| 955 | P | 26.8 | Very low | 47 | Very low | 134 Ų | 134 | 79.8 Ų | 79.8 | 87% | 0.87 | 42% | 0.418 | S | S | * | . | trans | -58.7 | 107.5 | 164.5 | 26.5 | -32.7 | 0 | 0 | 0 | 107.8 | K957 | P955-K957 PolarHBondContact O-N 3.34Š| ||
| 956 | R | 31.1 | Very low | 49.7 | Very low | 162 Ų | 162 | 80.7 Ų | 80.7 | 61% | 0.611 | 42% | 0.42 | S | S | * | . | trans | -53.5 | 132.6 | -173.9 | -74.4 | -174.9 | -179.7 | 175 | 7.8 | 109.8 | R951 G954 G958 | R951-R956 VanDerWaalsContact O-CG 3.23Å; R951-R956 WeakPolarHBondContact O-CG 3.43Å; R951-R956 PolarHBondContact O-NE 3.03Å; G954-R956 PolarHBondContact O-N 3.12Å; R956-G958 PolarHBondContact O-N 3.01Å | ||
| 957 | K | 31.7 | Very low | 52.3 | Low | 220 Ų | 220 | 84.6 Ų | 84.6 | 96% | 0.957 | 43% | 0.43 | S | S | * | . | trans | -67.3 | 49.6 | 170.8 | -68.4 | -172.7 | 176.5 | -177.3 | 0 | 112.6 | P955 | P955-K957 PolarHBondContact O-N 3.34Š| ||
| 958 | G | 43.3 | Very low | 54.6 | Low | 17 Ų | 17 | 86.8 Ų | 86.8 | 18% | 0.175 | 43% | 0.433 | C | S | . | . | trans | -64.6 | 137.1 | 151 | 0 | 0 | 0 | 0 | 0 | 107.7 | R956 S960 R974 | R956-G958 PolarHBondContact O-N 3.01Å; G958-S960 PolarHBondContact O-N 2.72Å; G958-R974 PolarHBondContact O-NH2 2.65Å | ||
| 959 | S | 55.2 | Low | 56.8 | Low | 53 Ų | 53 | 82.1 Ų | 82.1 | 37% | 0.371 | 41% | 0.408 | S | S | . | . | trans | -50.9 | 128.4 | -165.2 | 55.6 | 0 | 0 | 0 | 0 | 113.4 | Y961 R974 | S959-Y961 VanDerWaalsContact CB-O 3.3Å; S959-Y961 WeakPolarHBondContact CB-O 3.48Å; S959-Y961 PolarHBondContact O-N 2.81Å; S959-Y961 PolarHBondContact OG-O 3.49Å; S959-R974 PolarHBondContact O-NH2 2.97Å | ||
| 960 | S | 67.3 | Low | 58.7 | Low | 63 Ų | 63 | 88 Ų | 88 | 44% | 0.441 | 43% | 0.43 | S | S | . | . | S | Bend | trans | -69 | 9.1 | 169.1 | 50.8 | 0 | 0 | 0 | 0 | 113.1 | G958 R968 L969 | G958-S960 PolarHBondContact O-N 2.72Å; S960-R968 CarbonylContact O-C 3.55Å; S960-R968 VanDerWaalsContact O-CA 3.3Å; S960-R968 WeakPolarHBondContact O-CA 3.41Å; S960-R968 WeakPolarHBondContact O-CG 3.43Å; S960-L969 PolarHBondContact O-N 3.12Å |
| 961 | Y | 82.9 | Confident | 60.7 | Low | 119 Ų | 119 | 91.2 Ų | 91.2 | 47% | 0.467 | 44% | 0.438 | S | S | . | . | B | Isolated β-bridge | trans | -138.8 | 146.7 | -174.5 | -58.9 | -75.4 | 0 | 0 | 0 | 109.2 | S959 Q966 K967 R968 | S959-Y961 VanDerWaalsContact CB-O 3.3Å; S959-Y961 WeakPolarHBondContact CB-O 3.48Å; S959-Y961 PolarHBondContact O-N 2.81Å; S959-Y961 PolarHBondContact OG-O 3.49Å; Y961-Q966 VanDerWaalsContact CD1-O 3.28Å; Y961-Q966 WeakPolarHBondContact CD1-O 3.1Å; Y961-K967 VanDerWaalsContact CA-O 3.31Å; Y961-K967 WeakPolarHBondContact CA-O 3.37Å; Y961-R968 HydrophobicContact CD1-CB 4.27Å; Y961-R968 HydrophobicContact CE1-CB 4.19Å |
| 962 | C | 88.3 | Confident | 62.7 | Low | 0 Ų | 0 | 91.6 Ų | 91.6 | 0% | 0 | 45% | 0.448 | C | S | . | . | trans | -75.4 | 132 | 177.1 | 167.8 | 0 | 0 | 0 | 0 | 111.7 | V964 C965 Q966 K967 L969 H983 C986 | C962-V964 VanDerWaalsContact C-N 3.27Å; C962-V964 PolarHBondContact O-N 2.74Å; C962-C965 VanDerWaalsContact SG-SG 3.63Å; C962-Q966 WeakPolarHBondContact O-CA 3.3Å; C962-Q966 PolarHBondContact O-N 2.9Å; C962-Q966 PolarHBondContact O-NE2 3.11Å; C962-K967 PolarHBondContact N-O 2.87Å; C962-L969 HydrophobicContact CB-CD1 4.06Å; C962-L969 HydrophobicContact CB-CG 4.04Å; C962-H983 WeakPolarHBondContact CB-ND1 3.5Å; C962-H983 PolarHBondContact SG-N 3.16Å; C962-C986 VanDerWaalsContact SG-CB 3.56Å | ||
| 963 | Y | 84.5 | Confident | 64.8 | Low | 54 Ų | 54 | 91.5 Ų | 91.5 | 21% | 0.212 | 45% | 0.446 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -34.4 | -177.6 | -178.5 | -108.7 | 0 | 0 | 0 | 114.1 | Q966 Y980 Y981 K1012 A1013 F1015 | Y963-Q966 PolarHBondContact O-NE2 3.44Å; Y963-Y980 AromaticContact CD1-CD1 3.77Å; Y963-Y980 HydrophobicContact CD1-CD1 3.77Å; Y963-Y980 HydrophobicContact CD1-CE1 4.33Å; Y963-Y980 HydrophobicContact CD1-CG 4.12Å; Y963-Y980 AromaticContact CD2-CD1 3.62Å; Y963-Y980 HydrophobicContact CD2-CD1 3.62Å; Y963-Y980 HydrophobicContact CD2-CE1 4.08Å; Y963-Y980 AromaticContact CE1-CD1 3.8Å; Y963-Y980 HydrophobicContact CE1-CD1 3.8Å; Y963-Y980 AromaticContact CE1-CE1 3.89Å; Y963-Y980 HydrophobicContact CE1-CE1 3.89Å; Y963-Y980 HydrophobicContact CE1-CG 4.34Å; Y963-Y980 AromaticContact CE2-CD1 3.66Å; Y963-Y980 HydrophobicContact CE2-CD1 3.66Å; Y963-Y980 AromaticContact CE2-CE1 3.61Å; Y963-Y980 HydrophobicContact CE2-CE1 3.61Å; Y963-Y980 AromaticContact CG-CD1 3.67Å; Y963-Y980 HydrophobicContact CG-CD1 3.67Å; Y963-Y980 HydrophobicContact CG-CE1 4.41Å; Y963-Y980 HydrophobicContact CG-CG 4.26Å; Y963-Y980 AromaticContact CZ-CD1 3.74Å; Y963-Y980 AromaticContact CZ-CE1 3.49Å; Y963-Y980 VanDerWaalsContact CZ-CE1 3.49Å; Y963-Y981 PolarHBondContact N-O 3.02Å; Y963-K1012 HydrophobicContact CE1-CB 4.28Å; Y963-K1012 WeakPolarHBondContact OH-CA 3.17Å; Y963-A1013 HydrophobicContact CE1-CB 4.26Å; Y963-A1013 PolarHBondContact OH-N 3.25Å; Y963-F1015 HydrophobicContact CD1-CE2 4.19Å; Y963-F1015 HydrophobicContact CD1-CZ 4.34Å |
| 964 | V | 83.6 | Confident | 66.9 | Low | 64 Ų | 64 | 90.9 Ų | 90.9 | 39% | 0.388 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -67.6 | 177.7 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | C962 L982 C986 F1015 | C962-V964 VanDerWaalsContact C-N 3.27Å; C962-V964 PolarHBondContact O-N 2.74Å; V964-L982 HydrophobicContact CB-CD2 4.13Å; V964-L982 HydrophobicContact CG2-CD2 3.63Å; V964-C986 HydrophobicContact CB-CB 4.16Å; V964-C986 HydrophobicContact CG1-CB 4.35Å; V964-F1015 HydrophobicContact CG2-CE2 4.3Å |
| 965 | C | 87.6 | Confident | 69.4 | Low | 48 Ų | 48 | 90.1 Ų | 90.1 | 32% | 0.324 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -4.9 | -168.9 | 75.1 | 0 | 0 | 0 | 0 | 115.5 | C962 K967 H983 C986 | C962-C965 VanDerWaalsContact SG-SG 3.63Å; C965-K967 PolarHBondContact O-N 3.26Å; C965-H983 PolarHBondContact SG-ND1 2.84Å; C965-H983 VanDerWaalsContact SG-ND1 3.37Å; C965-C986 PolarHBondContact SG-SG 3.11Å |
| 966 | Q | 83.4 | Confident | 72.2 | Confident | 104 Ų | 104 | 90.1 Ų | 90.1 | 49% | 0.486 | 41% | 0.414 | S | S | . | . | trans | 58.2 | 0.7 | -180 | -58 | -63.4 | -35.6 | 0 | 0 | 116.6 | Y961 C962 Y963 | Y961-Q966 VanDerWaalsContact CD1-O 3.28Å; Y961-Q966 WeakPolarHBondContact CD1-O 3.1Å; C962-Q966 WeakPolarHBondContact O-CA 3.3Å; C962-Q966 PolarHBondContact O-N 2.9Å; C962-Q966 PolarHBondContact O-NE2 3.11Å; Y963-Q966 PolarHBondContact O-NE2 3.44Å | ||
| 967 | K | 82.7 | Confident | 74.4 | Confident | 153 Ų | 153 | 82.7 Ų | 82.7 | 67% | 0.665 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -67.5 | 153.5 | 170.8 | -62.7 | -175.5 | -179.8 | -177.5 | 0 | 111.2 | Y961 C962 C965 H983 | Y961-K967 VanDerWaalsContact CA-O 3.31Å; Y961-K967 WeakPolarHBondContact CA-O 3.37Å; C962-K967 PolarHBondContact N-O 2.87Å; C965-K967 PolarHBondContact O-N 3.26Å; K967-H983 PolarHBondContact O-CE1 3.31Å |
| 968 | R | 78.6 | Confident | 76.5 | Confident | 160 Ų | 160 | 76 Ų | 76 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | B | Isolated β-bridge | trans | -58.2 | 136.5 | 180 | -168.1 | 177.1 | -174.4 | 158.8 | 1.1 | 110.7 | S960 Y961 H983 | S960-R968 CarbonylContact O-C 3.55Å; S960-R968 VanDerWaalsContact O-CA 3.3Å; S960-R968 WeakPolarHBondContact O-CA 3.41Å; S960-R968 WeakPolarHBondContact O-CG 3.43Å; Y961-R968 HydrophobicContact CD1-CB 4.27Å; Y961-R968 HydrophobicContact CE1-CB 4.19Å; R968-H983 PolarHBondContact O-CE1 3.4Å; R968-H983 PolarHBondContact O-NE2 2.71Å |
| 969 | L | 77.5 | Confident | 78.2 | Confident | 14 Ų | 14 | 77.1 Ų | 77.1 | 7% | 0.073 | 38% | 0.378 | C | S | . | . | P | Polyproline II helix | trans | -102.9 | 117.2 | -178.8 | -108.5 | 178 | 0 | 0 | 0 | 110.8 | S960 C962 E973 R974 H983 | S960-L969 PolarHBondContact O-N 3.12Å; C962-L969 HydrophobicContact CB-CD1 4.06Å; C962-L969 HydrophobicContact CB-CG 4.04Å; L969-E973 HydrophobicContact CD2-CB 3.91Å; L969-R974 HydrophobicContact CD1-CG 4.5Å; L969-R974 HydrophobicContact CD2-CB 4.04Å; L969-H983 HydrophobicContact CD2-CB 4.44Å |
| 970 | Y | 75.3 | Confident | 79.6 | Confident | 138 Ų | 138 | 78 Ų | 78 | 54% | 0.541 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -84.2 | 152.8 | 169.6 | -63.5 | -87.1 | 0 | 0 | 0 | 110.9 | L972 E973 R974 | Y970-L972 PolarHBondContact O-N 3.11Å; Y970-E973 WeakPolarHBondContact CD2-OE2 3.31Å; Y970-E973 PolarHBondContact N-OE2 3.27Å; Y970-E973 PolarHBondContact O-N 2.78Å; Y970-R974 PolarHBondContact O-N 3.34Å |
| 971 | Q | 70.5 | Confident | 80.5 | Confident | 111 Ų | 111 | 76.8 Ų | 76.8 | 52% | 0.519 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -25 | -171.1 | -160 | 78.8 | -4.7 | 0 | 0 | 113.7 | ||
| 972 | L | 72.7 | Confident | 80.8 | Confident | 127 Ų | 127 | 71.1 Ų | 71.1 | 67% | 0.665 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -25.8 | 178.1 | -77 | 163.8 | 0 | 0 | 0 | 114.3 | Y970 V1233 | Y970-L972 PolarHBondContact O-N 3.11Å; L972-V1233 HydrophobicContact CD2-CB 4.46Å; L972-V1233 HydrophobicContact CD2-CG1 3.81Å; L972-V1233 HydrophobicContact CD2-CG2 3.71Å; L972-V1233 HydrophobicContact CG-CG1 4.32Å |
| 973 | E | 75.7 | Confident | 80.8 | Confident | 70 Ų | 70 | 72.3 Ų | 72.3 | 33% | 0.327 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -23.6 | -176.1 | -59.1 | 164.7 | 167.3 | 0 | 0 | 112 | L969 Y970 V975 H983 K984 | L969-E973 HydrophobicContact CD2-CB 3.91Å; Y970-E973 WeakPolarHBondContact CD2-OE2 3.31Å; Y970-E973 PolarHBondContact N-OE2 3.27Å; Y970-E973 PolarHBondContact O-N 2.78Å; E973-V975 PolarHBondContact O-N 3.13Å; E973-H983 IonicContact OE2-CD2 2.68Å; E973-H983 PolarHBondContact OE2-CD2 3.3Å; E973-H983 VanDerWaalsContact OE2-CD2 3.29Å; E973-H983 IonicContact OE2-NE2 3.81Å; E973-H983 PolarHBondContact OE2-NE2 3.49Å; E973-K984 PolarHBondContact O-N 2.94Å; E973-K984 VanDerWaalsContact O-N 3.14Å |
| 974 | R | 76.9 | Confident | 80.9 | Confident | 61 Ų | 61 | 75.6 Ų | 75.6 | 23% | 0.23 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 112.2 | -174.3 | 176.4 | -179.5 | -98 | -175.6 | -7.6 | 112 | G958 S959 L969 Y970 Y981 L982 | G958-R974 PolarHBondContact O-NH2 2.65Å; S959-R974 PolarHBondContact O-NH2 2.97Å; L969-R974 HydrophobicContact CD1-CG 4.5Å; L969-R974 HydrophobicContact CD2-CB 4.04Å; Y970-R974 PolarHBondContact O-N 3.34Å; R974-Y981 VanDerWaalsContact CD-CD1 3.49Å; R974-Y981 HydrophobicContact CG-CD1 3.67Å; R974-Y981 HydrophobicContact CG-CE1 4.39Å; R974-Y981 HydrophobicContact CG-CG 4.5Å; R974-Y981 VanDerWaalsContact NE-CD1 3.34Å; R974-L982 WeakPolarHBondContact CA-O 3.37Å |
| 975 | V | 82.2 | Confident | 81 | Confident | 20 Ų | 20 | 77.8 Ų | 77.8 | 12% | 0.121 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 150.4 | 157.4 | -166.7 | 0 | 0 | 0 | 0 | 108.6 | E973 V977 Y981 L982 K984 L987 K998 | E973-V975 PolarHBondContact O-N 3.13Å; V975-V977 HydrophobicContact CG1-CG2 4.04Å; V975-Y981 WeakPolarHBondContact O-CA 3.4Å; V975-L982 PolarHBondContact N-O 3.39Å; V975-L982 PolarHBondContact O-N 3.07Å; V975-K984 HydrophobicContact CG2-CB 4.15Å; V975-K984 HydrophobicContact CG2-CG 3.4Å; V975-L987 HydrophobicContact CG1-CD2 4Å; V975-K998 HydrophobicContact CG1-CB 3.98Å |
| 976 | R | 85.8 | Confident | 81.1 | Confident | 135 Ų | 135 | 76.7 Ų | 76.7 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 126.2 | 169.1 | -167 | -174.8 | -174 | -151.5 | -3.3 | 109.5 | G979 Y980 Y981 | R976-G979 PolarHBondContact NE-O 3.12Å; R976-Y980 CarbonylContact C-O 3.59Å; R976-Y980 VanDerWaalsContact CA-O 3.26Å; R976-Y980 WeakPolarHBondContact CA-O 3.32Å; R976-Y980 WeakPolarHBondContact CG-O 3.43Å; R976-Y981 HydrophobicContact CB-CD1 4Å; R976-Y981 HydrophobicContact CB-CE1 3.99Å; R976-Y981 HydrophobicContact CG-CD1 3.94Å; R976-Y981 HydrophobicContact CG-CE1 3.72Å |
| 977 | V | 77.5 | Confident | 81.4 | Confident | 6 Ų | 6 | 71.9 Ų | 71.9 | 4% | 0.036 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 126.7 | 179.5 | 172.7 | 0 | 0 | 0 | 0 | 109.2 | V975 G979 Y980 L982 L987 K998 V1001 F1015 | V975-V977 HydrophobicContact CG1-CG2 4.04Å; V977-G979 PolarHBondContact O-N 2.85Å; V977-Y980 PolarHBondContact N-O 3.36Å; V977-Y980 PolarHBondContact O-N 3.06Å; V977-L982 HydrophobicContact CB-CD1 4.34Å; V977-L987 HydrophobicContact CB-CD1 4.31Å; V977-L987 HydrophobicContact CG1-CD1 4.32Å; V977-L987 HydrophobicContact CG2-CD1 3.81Å; V977-L987 HydrophobicContact CG2-CD2 3.58Å; V977-L987 HydrophobicContact CG2-CG 4.35Å; V977-K998 HydrophobicContact CG2-CB 4.36Å; V977-V1001 HydrophobicContact CB-CG1 4.42Å; V977-V1001 HydrophobicContact CG1-CB 4.37Å; V977-V1001 HydrophobicContact CG1-CG1 3.47Å; V977-V1001 VanDerWaalsContact CG1-CG1 3.47Å; V977-V1001 HydrophobicContact CG1-CG2 3.92Å; V977-V1001 HydrophobicContact CG2-CG1 4Å; V977-F1015 HydrophobicContact CB-CE1 4.22Å; V977-F1015 HydrophobicContact CG1-CD1 3.83Å; V977-F1015 HydrophobicContact CG1-CE1 3.74Å |
| 978 | S | 75.8 | Confident | 81.8 | Confident | 79 Ų | 79 | 69.2 Ų | 69.2 | 55% | 0.552 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 47.1 | 36.5 | 177.8 | -55.5 | 0 | 0 | 0 | 0 | 113.9 | Y980 C1003 | S978-Y980 WeakPolarHBondContact O-CD2 3.29Å; S978-C1003 VanDerWaalsContact CB-CB 3.49Å; S978-C1003 WeakPolarHBondContact OG-CB 3.46Å |
| 979 | G | 78.6 | Confident | 82.4 | Confident | 40 Ų | 40 | 61.7 Ų | 61.7 | 41% | 0.412 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.6 | -35.7 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | R976 V977 | R976-G979 PolarHBondContact NE-O 3.12Å; V977-G979 PolarHBondContact O-N 2.85Å |
| 980 | Y | 83.6 | Confident | 82.7 | Confident | 71 Ų | 71 | 64.1 Ų | 64.1 | 28% | 0.278 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 152.7 | -177.3 | -55.7 | -80.9 | 0 | 0 | 0 | 113 | Y963 R976 V977 S978 A1013 F1015 | Y963-Y980 AromaticContact CD1-CD1 3.77Å; Y963-Y980 HydrophobicContact CD1-CD1 3.77Å; Y963-Y980 HydrophobicContact CD1-CE1 4.33Å; Y963-Y980 HydrophobicContact CD1-CG 4.12Å; Y963-Y980 AromaticContact CD2-CD1 3.62Å; Y963-Y980 HydrophobicContact CD2-CD1 3.62Å; Y963-Y980 HydrophobicContact CD2-CE1 4.08Å; Y963-Y980 AromaticContact CE1-CD1 3.8Å; Y963-Y980 HydrophobicContact CE1-CD1 3.8Å; Y963-Y980 AromaticContact CE1-CE1 3.89Å; Y963-Y980 HydrophobicContact CE1-CE1 3.89Å; Y963-Y980 HydrophobicContact CE1-CG 4.34Å; Y963-Y980 AromaticContact CE2-CD1 3.66Å; Y963-Y980 HydrophobicContact CE2-CD1 3.66Å; Y963-Y980 AromaticContact CE2-CE1 3.61Å; Y963-Y980 HydrophobicContact CE2-CE1 3.61Å; Y963-Y980 AromaticContact CG-CD1 3.67Å; Y963-Y980 HydrophobicContact CG-CD1 3.67Å; Y963-Y980 HydrophobicContact CG-CE1 4.41Å; Y963-Y980 HydrophobicContact CG-CG 4.26Å; Y963-Y980 AromaticContact CZ-CD1 3.74Å; Y963-Y980 AromaticContact CZ-CE1 3.49Å; Y963-Y980 VanDerWaalsContact CZ-CE1 3.49Å; R976-Y980 CarbonylContact C-O 3.59Å; R976-Y980 VanDerWaalsContact CA-O 3.26Å; R976-Y980 WeakPolarHBondContact CA-O 3.32Å; R976-Y980 WeakPolarHBondContact CG-O 3.43Å; V977-Y980 PolarHBondContact N-O 3.36Å; V977-Y980 PolarHBondContact O-N 3.06Å; S978-Y980 WeakPolarHBondContact O-CD2 3.29Å; Y980-A1013 HydrophobicContact CE1-CB 4.42Å; Y980-A1013 HydrophobicContact CE2-CB 3.73Å; Y980-A1013 WeakPolarHBondContact OH-CB 3.1Å; Y980-F1015 HydrophobicContact CD2-CE1 4.17Å; Y980-F1015 AromaticContact CD2-CZ 3.91Å; Y980-F1015 HydrophobicContact CD2-CZ 3.91Å; Y980-F1015 HydrophobicContact CG-CZ 4.17Å |
| 981 | Y | 86.8 | Confident | 83 | Confident | 39 Ų | 39 | 61.8 Ų | 61.8 | 15% | 0.153 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 133 | 174.5 | -63.4 | -78.5 | 0 | 0 | 0 | 111 | Y963 R974 V975 R976 | Y963-Y981 PolarHBondContact N-O 3.02Å; R974-Y981 VanDerWaalsContact CD-CD1 3.49Å; R974-Y981 HydrophobicContact CG-CD1 3.67Å; R974-Y981 HydrophobicContact CG-CE1 4.39Å; R974-Y981 HydrophobicContact CG-CG 4.5Å; R974-Y981 VanDerWaalsContact NE-CD1 3.34Å; V975-Y981 WeakPolarHBondContact O-CA 3.4Å; R976-Y981 HydrophobicContact CB-CD1 4Å; R976-Y981 HydrophobicContact CB-CE1 3.99Å; R976-Y981 HydrophobicContact CG-CD1 3.94Å; R976-Y981 HydrophobicContact CG-CE1 3.72Å |
| 982 | L | 88.4 | Confident | 83.9 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 151.2 | -170.3 | -61.5 | 167 | 0 | 0 | 0 | 110.4 | V964 R974 V975 V977 L987 F1015 | V964-L982 HydrophobicContact CB-CD2 4.13Å; V964-L982 HydrophobicContact CG2-CD2 3.63Å; R974-L982 WeakPolarHBondContact CA-O 3.37Å; V975-L982 PolarHBondContact N-O 3.39Å; V975-L982 PolarHBondContact O-N 3.07Å; V977-L982 HydrophobicContact CB-CD1 4.34Å; L982-L987 HydrophobicContact CD1-CB 4.09Å; L982-L987 HydrophobicContact CD1-CD1 3.73Å; L982-L987 HydrophobicContact CD1-CG 4.41Å; L982-F1015 HydrophobicContact CD1-CE1 4.27Å; L982-F1015 HydrophobicContact CD1-CE2 4.07Å; L982-F1015 HydrophobicContact CD1-CZ 3.91Å; L982-F1015 HydrophobicContact CD2-CE2 4.31Å |
| 983 | H | 89.8 | Confident | 84.5 | Confident | 24 Ų | 24 | 57.1 Ų | 57.1 | 11% | 0.111 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.2 | 150.3 | 155.7 | -61.7 | 91.2 | 0 | 0 | 0 | 108.6 | C962 C965 K967 R968 L969 E973 D985 C986 L987 | C962-H983 WeakPolarHBondContact CB-ND1 3.5Å; C962-H983 PolarHBondContact SG-N 3.16Å; C965-H983 PolarHBondContact SG-ND1 2.84Å; C965-H983 VanDerWaalsContact SG-ND1 3.37Å; K967-H983 PolarHBondContact O-CE1 3.31Å; R968-H983 PolarHBondContact O-CE1 3.4Å; R968-H983 PolarHBondContact O-NE2 2.71Å; L969-H983 HydrophobicContact CD2-CB 4.44Å; E973-H983 IonicContact OE2-CD2 2.68Å; E973-H983 PolarHBondContact OE2-CD2 3.3Å; E973-H983 VanDerWaalsContact OE2-CD2 3.29Å; E973-H983 IonicContact OE2-NE2 3.81Å; E973-H983 PolarHBondContact OE2-NE2 3.49Å; H983-D985 VanDerWaalsContact C-N 3.26Å; H983-D985 PolarHBondContact O-N 3.07Å; H983-C986 HydrophobicContact CB-CB 4.13Å; H983-C986 WeakPolarHBondContact O-CB 3.33Å; H983-C986 PolarHBondContact O-N 2.99Å; H983-L987 PolarHBondContact O-N 2.92Å |
| 984 | K | 84.8 | Confident | 85 | Confident | 124 Ų | 124 | 59 Ų | 59 | 54% | 0.539 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -45.6 | -53.5 | 171.2 | -74.7 | 174.5 | -179.5 | 170.4 | 0 | 111.4 | E973 V975 C986 L987 L995 | E973-K984 PolarHBondContact O-N 2.94Å; E973-K984 VanDerWaalsContact O-N 3.14Å; V975-K984 HydrophobicContact CG2-CB 4.15Å; V975-K984 HydrophobicContact CG2-CG 3.4Å; K984-C986 PolarHBondContact O-N 3.14Å; K984-C986 VanDerWaalsContact O-N 3.14Å; K984-L987 WeakPolarHBondContact O-CB 3.35Å; K984-L987 PolarHBondContact O-N 2.93Å; K984-L987 VanDerWaalsContact O-N 3.09Å; K984-L995 VanDerWaalsContact O-CD1 3.28Å; K984-L995 WeakPolarHBondContact O-CD1 3.41Å |
| 985 | D | 85.9 | Confident | 85.4 | Confident | 109 Ų | 109 | 60.5 Ų | 60.5 | 58% | 0.583 | 32% | 0.32 | S | S | * | . | G | 310 helix | trans | -72.6 | -8.3 | -173.7 | -45 | -66 | 0 | 0 | 0 | 114.3 | H983 R988 | H983-D985 VanDerWaalsContact C-N 3.26Å; H983-D985 PolarHBondContact O-N 3.07Å; D985-R988 WeakPolarHBondContact O-CD 3.46Å; D985-R988 PolarHBondContact O-NE 3.24Å |
| 986 | C | 90.2 | Very high | 85.6 | Confident | 25 Ų | 25 | 60.1 Ų | 60.1 | 17% | 0.169 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -96.4 | -5.5 | 175 | -68.9 | 0 | 0 | 0 | 0 | 113.4 | C962 V964 C965 H983 K984 R988 | C962-C986 VanDerWaalsContact SG-CB 3.56Å; V964-C986 HydrophobicContact CB-CB 4.16Å; V964-C986 HydrophobicContact CG1-CB 4.35Å; C965-C986 PolarHBondContact SG-SG 3.11Å; H983-C986 HydrophobicContact CB-CB 4.13Å; H983-C986 WeakPolarHBondContact O-CB 3.33Å; H983-C986 PolarHBondContact O-N 2.99Å; K984-C986 PolarHBondContact O-N 3.14Å; K984-C986 VanDerWaalsContact O-N 3.14Å; C986-R988 PolarHBondContact O-N 3.21Å |
| 987 | L | 89.9 | Confident | 85.4 | Confident | 4 Ų | 4 | 57.8 Ų | 57.8 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | trans | -86.4 | 83.7 | 175 | 175.8 | 56.9 | 0 | 0 | 0 | 109.2 | V975 V977 L982 H983 K984 L996 K998 V1001 F1015 | V975-L987 HydrophobicContact CG1-CD2 4Å; V977-L987 HydrophobicContact CB-CD1 4.31Å; V977-L987 HydrophobicContact CG1-CD1 4.32Å; V977-L987 HydrophobicContact CG2-CD1 3.81Å; V977-L987 HydrophobicContact CG2-CD2 3.58Å; V977-L987 HydrophobicContact CG2-CG 4.35Å; L982-L987 HydrophobicContact CD1-CB 4.09Å; L982-L987 HydrophobicContact CD1-CD1 3.73Å; L982-L987 HydrophobicContact CD1-CG 4.41Å; H983-L987 PolarHBondContact O-N 2.92Å; K984-L987 WeakPolarHBondContact O-CB 3.35Å; K984-L987 PolarHBondContact O-N 2.93Å; K984-L987 VanDerWaalsContact O-N 3.09Å; L987-L996 HydrophobicContact CD1-CB 4.36Å; L987-L996 HydrophobicContact CD1-CD1 4.47Å; L987-L996 WeakPolarHBondContact CD2-O 3.23Å; L987-L996 HydrophobicContact CG-CB 4.1Å; L987-L996 PolarHBondContact O-N 3.45Å; L987-K998 HydrophobicContact CD2-CB 4.4Å; L987-V1001 HydrophobicContact CD1-CB 4.47Å; L987-V1001 HydrophobicContact CD1-CG1 4.37Å; L987-V1001 HydrophobicContact CD1-CG2 4.15Å; L987-F1015 HydrophobicContact CD1-CD1 4.34Å; L987-F1015 HydrophobicContact CD1-CG 4.35Å | ||
| 988 | R | 90.4 | Very high | 85.5 | Confident | 97 Ų | 97 | 63 Ų | 63 | 37% | 0.366 | 34% | 0.337 | S | S | . | . | B | Isolated β-bridge | trans | -126.2 | 157 | -172.6 | -67 | -178.8 | 171.7 | -114.2 | 3.9 | 112.8 | D985 C986 S990 D993 I994 L995 | D985-R988 WeakPolarHBondContact O-CD 3.46Å; D985-R988 PolarHBondContact O-NE 3.24Å; C986-R988 PolarHBondContact O-N 3.21Å; R988-S990 PolarHBondContact O-N 3.29Å; R988-D993 WeakPolarHBondContact CD-O 3.41Å; R988-D993 WeakPolarHBondContact CD-OD1 3.39Å; R988-D993 WeakPolarHBondContact CD-OD2 3.26Å; R988-D993 IonicContact CZ-OD2 3.71Å; R988-D993 IonicContact NE-OD2 2.8Å; R988-D993 PolarHBondContact NH1-O 2.64Å; R988-D993 IonicContact NH1-OD2 2.72Å; R988-D993 PolarHBondContact NH1-OD2 2.94Å; R988-I994 WeakPolarHBondContact CA-O 3.29Å; R988-L995 HydrophobicContact CG-CD1 4.31Å |
| 989 | C | 91.5 | Very high | 85.6 | Confident | 1 Ų | 1 | 64.9 Ų | 64.9 | 1% | 0.007 | 34% | 0.341 | C | S | . | . | trans | -72.7 | 121.2 | 177.1 | -165.4 | 0 | 0 | 0 | 0 | 111.5 | T991 C992 D993 I994 L996 F1015 C1017 | C989-T991 PolarHBondContact O-N 3.12Å; C989-C992 WeakPolarHBondContact CB-SG 3.36Å; C989-C992 PolarHBondContact O-N 2.83Å; C989-D993 VanDerWaalsContact O-CA 3.28Å; C989-D993 WeakPolarHBondContact O-CA 3.32Å; C989-D993 PolarHBondContact O-N 3.15Å; C989-I994 PolarHBondContact N-O 2.97Å; C989-L996 HydrophobicContact CB-CD2 3.85Å; C989-L996 HydrophobicContact CB-CG 4.38Å; C989-F1015 CarbonylContact C-O 3.53Å; C989-F1015 WeakPolarHBondContact CA-O 3.49Å; C989-C1017 PolarHBondContact SG-N 2.88Å; C989-C1017 VanDerWaalsContact SG-SG 3.66Å | ||
| 990 | S | 84.1 | Confident | 85.5 | Confident | 66 Ų | 66 | 65 Ų | 65 | 46% | 0.462 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.8 | -18.4 | -179.8 | -167.8 | 0 | 0 | 0 | 0 | 114.7 | R988 F1015 | R988-S990 PolarHBondContact O-N 3.29Å; S990-F1015 PolarHBondContact N-O 2.72Å |
| 991 | T | 82.6 | Confident | 85.4 | Confident | 88 Ų | 88 | 62.5 Ų | 62.5 | 54% | 0.54 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | -20.8 | -176 | -30.8 | 0 | 0 | 0 | 0 | 114.2 | C989 Y1016 | C989-T991 PolarHBondContact O-N 3.12Å; T991-Y1016 WeakPolarHBondContact OG1-CD1 3.45Å; T991-Y1016 WeakPolarHBondContact OG1-CE1 3.29Å |
| 992 | C | 89.2 | Confident | 85.2 | Confident | 47 Ų | 47 | 66.4 Ų | 66.4 | 32% | 0.318 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.1 | 6.3 | -176.3 | 68.8 | 0 | 0 | 0 | 0 | 115.2 | C989 I994 H1020 | C989-C992 WeakPolarHBondContact CB-SG 3.36Å; C989-C992 PolarHBondContact O-N 2.83Å; C992-I994 PolarHBondContact O-N 3.18Å; C992-H1020 PolarHBondContact SG-CE1 3.09Å; C992-H1020 PolarHBondContact SG-ND1 3.05Å |
| 993 | D | 85.1 | Confident | 85 | Confident | 94 Ų | 94 | 68 Ų | 68 | 50% | 0.503 | 36% | 0.356 | S | S | . | . | trans | 53.5 | 5.9 | 178.5 | -151.8 | 54.1 | 0 | 0 | 0 | 117.5 | R988 C989 L995 | R988-D993 WeakPolarHBondContact CD-O 3.41Å; R988-D993 WeakPolarHBondContact CD-OD1 3.39Å; R988-D993 WeakPolarHBondContact CD-OD2 3.26Å; R988-D993 IonicContact CZ-OD2 3.71Å; R988-D993 IonicContact NE-OD2 2.8Å; R988-D993 PolarHBondContact NH1-O 2.64Å; R988-D993 IonicContact NH1-OD2 2.72Å; R988-D993 PolarHBondContact NH1-OD2 2.94Å; C989-D993 VanDerWaalsContact O-CA 3.28Å; C989-D993 WeakPolarHBondContact O-CA 3.32Å; C989-D993 PolarHBondContact O-N 3.15Å; D993-L995 PolarHBondContact O-N 3.49Å | ||
| 994 | I | 85 | Confident | 84.5 | Confident | 108 Ų | 108 | 68.9 Ų | 68.9 | 55% | 0.554 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 132.3 | 173.2 | -64.3 | 177.6 | 0 | 0 | 0 | 109.6 | R988 C989 C992 L996 | R988-I994 WeakPolarHBondContact CA-O 3.29Å; C989-I994 PolarHBondContact N-O 2.97Å; C992-I994 PolarHBondContact O-N 3.18Å; I994-L996 PolarHBondContact O-N 3.47Å |
| 995 | L | 86.2 | Confident | 83.8 | Confident | 93 Ų | 93 | 66.9 Ų | 66.9 | 49% | 0.487 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -60.5 | 118.4 | 174.1 | -167.5 | 75.2 | 0 | 0 | 0 | 110.4 | K984 R988 D993 | K984-L995 VanDerWaalsContact O-CD1 3.28Å; K984-L995 WeakPolarHBondContact O-CD1 3.41Å; R988-L995 HydrophobicContact CG-CD1 4.31Å; D993-L995 PolarHBondContact O-N 3.49Å |
| 996 | L | 86.8 | Confident | 82.8 | Confident | 12 Ų | 12 | 63.7 Ų | 63.7 | 6% | 0.063 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -88.6 | 136.2 | -175.8 | -53.5 | 176 | 0 | 0 | 0 | 110.8 | L987 C989 I994 K998 V1001 F1015 C1017 | L987-L996 HydrophobicContact CD1-CB 4.36Å; L987-L996 HydrophobicContact CD1-CD1 4.47Å; L987-L996 WeakPolarHBondContact CD2-O 3.23Å; L987-L996 HydrophobicContact CG-CB 4.1Å; L987-L996 PolarHBondContact O-N 3.45Å; C989-L996 HydrophobicContact CB-CD2 3.85Å; C989-L996 HydrophobicContact CB-CG 4.38Å; I994-L996 PolarHBondContact O-N 3.47Å; L996-K998 PolarHBondContact O-N 2.74Å; L996-V1001 HydrophobicContact CB-CB 4.04Å; L996-V1001 HydrophobicContact CD1-CB 3.84Å; L996-V1001 HydrophobicContact CD1-CG2 3.56Å; L996-F1015 HydrophobicContact CD1-CB 3.89Å; L996-C1017 HydrophobicContact CD2-CB 3.51Å |
| 997 | N | 80.5 | Confident | 81.1 | Confident | 87 Ų | 87 | 70.4 Ų | 70.4 | 47% | 0.465 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -69.2 | 133.1 | 164 | 179.8 | 16.2 | 0 | 0 | 0 | 109.2 | D999 S1000 V1001 | N997-D999 PolarHBondContact ND2-OD2 3.31Å; N997-D999 PolarHBondContact O-N 2.91Å; N997-D999 PolarHBondContact OD1-N 2.83Å; N997-D999 PolarHBondContact OD1-OD2 3.23Å; N997-S1000 WeakPolarHBondContact CB-OG 2.92Å; N997-S1000 PolarHBondContact O-N 2.72Å; N997-S1000 PolarHBondContact O-OG 3.44Å; N997-V1001 PolarHBondContact O-N 3.13Å |
| 998 | K | 80.9 | Confident | 79.3 | Confident | 114 Ų | 114 | 76.6 Ų | 76.6 | 50% | 0.496 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -28.3 | 174.5 | 55.7 | 162.2 | -176.3 | 62.8 | 0 | 114.3 | V975 V977 L987 L996 V1001 | V975-K998 HydrophobicContact CG1-CB 3.98Å; V977-K998 HydrophobicContact CG2-CB 4.36Å; L987-K998 HydrophobicContact CD2-CB 4.4Å; L996-K998 PolarHBondContact O-N 2.74Å; K998-V1001 WeakPolarHBondContact O-CG1 3.24Å |
| 999 | D | 76.9 | Confident | 77.3 | Confident | 119 Ų | 119 | 77.1 Ų | 77.1 | 64% | 0.636 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -3.4 | -178.3 | -47 | -51.9 | 0 | 0 | 0 | 113.4 | N997 | N997-D999 PolarHBondContact ND2-OD2 3.31Å; N997-D999 PolarHBondContact O-N 2.91Å; N997-D999 PolarHBondContact OD1-N 2.83Å; N997-D999 PolarHBondContact OD1-OD2 3.23Å |
| 1000 | S | 76.5 | Confident | 75.5 | Confident | 42 Ų | 42 | 84.9 Ų | 84.9 | 29% | 0.294 | 47% | 0.471 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 1.1 | -172.6 | 69 | 0 | 0 | 0 | 0 | 114.8 | N997 | N997-S1000 WeakPolarHBondContact CB-OG 2.92Å; N997-S1000 PolarHBondContact O-N 2.72Å; N997-S1000 PolarHBondContact O-OG 3.44Å |
| 1001 | V | 81.3 | Confident | 74.6 | Confident | 20 Ų | 20 | 86.2 Ų | 86.2 | 12% | 0.121 | 47% | 0.469 | C | S | . | . | P | Polyproline II helix | trans | -84.2 | 132.9 | -178.6 | 44.9 | 0 | 0 | 0 | 0 | 111.1 | V977 L987 L996 N997 K998 F1015 | V977-V1001 HydrophobicContact CB-CG1 4.42Å; V977-V1001 HydrophobicContact CG1-CB 4.37Å; V977-V1001 HydrophobicContact CG1-CG1 3.47Å; V977-V1001 VanDerWaalsContact CG1-CG1 3.47Å; V977-V1001 HydrophobicContact CG1-CG2 3.92Å; V977-V1001 HydrophobicContact CG2-CG1 4Å; L987-V1001 HydrophobicContact CD1-CB 4.47Å; L987-V1001 HydrophobicContact CD1-CG1 4.37Å; L987-V1001 HydrophobicContact CD1-CG2 4.15Å; L996-V1001 HydrophobicContact CB-CB 4.04Å; L996-V1001 HydrophobicContact CD1-CB 3.84Å; L996-V1001 HydrophobicContact CD1-CG2 3.56Å; N997-V1001 PolarHBondContact O-N 3.13Å; K998-V1001 WeakPolarHBondContact O-CG1 3.24Å; V1001-F1015 HydrophobicContact CG2-CB 3.85Å; V1001-F1015 HydrophobicContact CG2-CD1 3.86Å; V1001-F1015 HydrophobicContact CG2-CG 4.32Å |
| 1002 | K | 84.2 | Confident | 74 | Confident | 121 Ų | 121 | 87.4 Ų | 87.4 | 53% | 0.526 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 116.3 | 167.8 | -65.1 | -115.8 | -178.4 | 173.6 | 0 | 108.5 | Y1016 V1021 | K1002-Y1016 PolarHBondContact N-O 3.23Å; K1002-Y1016 PolarHBondContact O-N 3.27Å; K1002-V1021 HydrophobicContact CB-CG1 4.21Å; K1002-V1021 HydrophobicContact CB-CG2 3.76Å; K1002-V1021 HydrophobicContact CD-CG1 4.38Å; K1002-V1021 HydrophobicContact CD-CG2 4.2Å; K1002-V1021 HydrophobicContact CG-CG2 3.76Å |
| 1003 | C | 83.1 | Confident | 73.5 | Confident | 33 Ų | 33 | 85.4 Ų | 85.4 | 22% | 0.223 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 130.8 | 172.6 | -173.6 | 0 | 0 | 0 | 0 | 109.3 | S978 L1014 F1015 | S978-C1003 VanDerWaalsContact CB-CB 3.49Å; S978-C1003 WeakPolarHBondContact OG-CB 3.46Å; C1003-L1014 WeakPolarHBondContact CA-O 3.43Å; C1003-F1015 HydrophobicContact CB-CD1 3.89Å; C1003-F1015 HydrophobicContact CB-CE1 4Å; C1003-F1015 VanDerWaalsContact SG-CE1 3.58Å |
| 1004 | V | 79.9 | Confident | 73.6 | Confident | 42 Ų | 42 | 84.4 Ų | 84.4 | 26% | 0.255 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 113 | 169 | -175.1 | 0 | 0 | 0 | 0 | 108 | L1014 Y1016 | V1004-L1014 PolarHBondContact N-O 2.62Å; V1004-L1014 PolarHBondContact O-N 2.8Å; V1004-Y1016 HydrophobicContact CB-CD2 4.4Å; V1004-Y1016 HydrophobicContact CB-CE2 3.96Å; V1004-Y1016 HydrophobicContact CG2-CD2 3.9Å; V1004-Y1016 HydrophobicContact CG2-CE2 3.84Å |
| 1005 | S | 70.1 | Confident | 73.7 | Confident | 83 Ų | 83 | 79.6 Ų | 79.6 | 58% | 0.58 | 42% | 0.424 | S | S | * | . | trans | -67.5 | 126.7 | 165.1 | 49.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1006 | S | 63.6 | Low | 73.8 | Confident | 42 Ų | 42 | 76.5 Ų | 76.5 | 29% | 0.294 | 41% | 0.406 | S | S | . | . | trans | -62.8 | 146.6 | 172.8 | -179.1 | 0 | 0 | 0 | 0 | 111 | K1008 E1011 | S1006-K1008 PolarHBondContact O-N 3.32Å; S1006-K1008 PolarHBondContact OG-N 2.86Å; S1006-K1008 VanDerWaalsContact OG-N 3.13Å; S1006-E1011 VanDerWaalsContact CB-CB 3.47Å; S1006-E1011 WeakPolarHBondContact CB-OE2 3.35Å; S1006-E1011 PolarHBondContact OG-OE2 2.76Å | ||
| 1007 | K | 55.3 | Low | 73.9 | Confident | 166 Ų | 166 | 76.6 Ų | 76.6 | 72% | 0.722 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -74.8 | -5.9 | 172.3 | -72.6 | 170 | 173.4 | 161.3 | 0 | 113 | E1024 | K1007-E1024 WeakPolarHBondContact CE-OE1 3.19Å; K1007-E1024 IonicContact NZ-OE1 3.22Å; K1007-E1024 PolarHBondContact NZ-OE1 3.43Å; K1007-E1024 IonicContact NZ-OE2 2.71Å; K1007-E1024 PolarHBondContact NZ-OE2 3.19Å |
| 1008 | K | 52.8 | Low | 74 | Confident | 134 Ų | 134 | 78.3 Ų | 78.3 | 58% | 0.583 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -99.5 | 131 | 173 | -54.8 | -173.7 | -148.1 | 153.2 | 0 | 110.8 | S1006 N1010 E1011 | S1006-K1008 PolarHBondContact O-N 3.32Å; S1006-K1008 PolarHBondContact OG-N 2.86Å; S1006-K1008 VanDerWaalsContact OG-N 3.13Å; K1008-N1010 PolarHBondContact O-N 2.84Å; K1008-E1011 HydrophobicContact CB-CB 4.49Å; K1008-E1011 HydrophobicContact CB-CG 4.33Å; K1008-E1011 WeakPolarHBondContact CD-OE1 3.41Å; K1008-E1011 WeakPolarHBondContact CE-OE1 3.25Å; K1008-E1011 IonicContact NZ-OE1 3.52Å; K1008-E1011 PolarHBondContact NZ-OE1 3.43Å; K1008-E1011 IonicContact NZ-OE2 2.69Å; K1008-E1011 PolarHBondContact O-N 3.34Å |
| 1009 | A | 47.4 | Very low | 74.1 | Confident | 107 Ų | 107 | 79.1 Ų | 79.1 | 88% | 0.884 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||
| 1010 | N | 53.5 | Low | 74.5 | Confident | 165 Ų | 165 | 76.6 Ų | 76.6 | 88% | 0.882 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | -3.5 | -177.2 | -71.5 | -1.3 | 0 | 0 | 0 | 114.5 | K1008 | K1008-N1010 PolarHBondContact O-N 2.84Š|
| 1011 | E | 66.7 | Low | 74.6 | Confident | 93 Ų | 93 | 76.9 Ų | 76.9 | 44% | 0.435 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -88.9 | 136.6 | -178.5 | -81 | 174.4 | -178.6 | 0 | 0 | 111.7 | S1006 K1008 | S1006-E1011 VanDerWaalsContact CB-CB 3.47Å; S1006-E1011 WeakPolarHBondContact CB-OE2 3.35Å; S1006-E1011 PolarHBondContact OG-OE2 2.76Å; K1008-E1011 HydrophobicContact CB-CB 4.49Å; K1008-E1011 HydrophobicContact CB-CG 4.33Å; K1008-E1011 WeakPolarHBondContact CD-OE1 3.41Å; K1008-E1011 WeakPolarHBondContact CE-OE1 3.25Å; K1008-E1011 IonicContact NZ-OE1 3.52Å; K1008-E1011 PolarHBondContact NZ-OE1 3.43Å; K1008-E1011 IonicContact NZ-OE2 2.69Å; K1008-E1011 PolarHBondContact O-N 3.34Å |
| 1012 | K | 69.3 | Low | 74.2 | Confident | 113 Ų | 113 | 78.9 Ų | 78.9 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 142.6 | 175.7 | -68.7 | -176.6 | -179.2 | 178.7 | 0 | 110.3 | Y963 | Y963-K1012 HydrophobicContact CE1-CB 4.28Å; Y963-K1012 WeakPolarHBondContact OH-CA 3.17Å |
| 1013 | A | 79.2 | Confident | 73 | Confident | 6 Ų | 6 | 80.7 Ų | 80.7 | 5% | 0.05 | 43% | 0.433 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 137.5 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | Y963 Y980 | Y963-A1013 HydrophobicContact CE1-CB 4.26Å; Y963-A1013 PolarHBondContact OH-N 3.25Å; Y980-A1013 HydrophobicContact CE1-CB 4.42Å; Y980-A1013 HydrophobicContact CE2-CB 3.73Å; Y980-A1013 WeakPolarHBondContact OH-CB 3.1Å |
| 1014 | L | 85.4 | Confident | 71.4 | Confident | 72 Ų | 72 | 85.5 Ų | 85.5 | 38% | 0.377 | 45% | 0.453 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 139.5 | -173 | -61.4 | 179.1 | 0 | 0 | 0 | 110.5 | C1003 V1004 Y1016 | C1003-L1014 WeakPolarHBondContact CA-O 3.43Å; V1004-L1014 PolarHBondContact N-O 2.62Å; V1004-L1014 PolarHBondContact O-N 2.8Å; L1014-Y1016 HydrophobicContact CB-CE2 3.58Å; L1014-Y1016 WeakPolarHBondContact CD1-OH 3.4Å |
| 1015 | F | 88.9 | Confident | 69.2 | Low | 8 Ų | 8 | 91.3 Ų | 91.3 | 4% | 0.035 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 134.7 | -176.8 | -55.8 | -81.3 | 0 | 0 | 0 | 110 | Y963 V964 V977 Y980 L982 L987 C989 S990 L996 V1001 C1003 | Y963-F1015 HydrophobicContact CD1-CE2 4.19Å; Y963-F1015 HydrophobicContact CD1-CZ 4.34Å; V964-F1015 HydrophobicContact CG2-CE2 4.3Å; V977-F1015 HydrophobicContact CB-CE1 4.22Å; V977-F1015 HydrophobicContact CG1-CD1 3.83Å; V977-F1015 HydrophobicContact CG1-CE1 3.74Å; Y980-F1015 HydrophobicContact CD2-CE1 4.17Å; Y980-F1015 AromaticContact CD2-CZ 3.91Å; Y980-F1015 HydrophobicContact CD2-CZ 3.91Å; Y980-F1015 HydrophobicContact CG-CZ 4.17Å; L982-F1015 HydrophobicContact CD1-CE1 4.27Å; L982-F1015 HydrophobicContact CD1-CE2 4.07Å; L982-F1015 HydrophobicContact CD1-CZ 3.91Å; L982-F1015 HydrophobicContact CD2-CE2 4.31Å; L987-F1015 HydrophobicContact CD1-CD1 4.34Å; L987-F1015 HydrophobicContact CD1-CG 4.35Å; C989-F1015 CarbonylContact C-O 3.53Å; C989-F1015 WeakPolarHBondContact CA-O 3.49Å; S990-F1015 PolarHBondContact N-O 2.72Å; L996-F1015 HydrophobicContact CD1-CB 3.89Å; V1001-F1015 HydrophobicContact CG2-CB 3.85Å; V1001-F1015 HydrophobicContact CG2-CD1 3.86Å; V1001-F1015 HydrophobicContact CG2-CG 4.32Å; C1003-F1015 HydrophobicContact CB-CD1 3.89Å; C1003-F1015 HydrophobicContact CB-CE1 4Å; C1003-F1015 VanDerWaalsContact SG-CE1 3.58Å |
| 1016 | Y | 87.5 | Confident | 67.4 | Low | 27 Ų | 27 | 90.6 Ų | 90.6 | 11% | 0.106 | 49% | 0.488 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 148 | -175.4 | -59.3 | -87.9 | 0 | 0 | 0 | 111.5 | T991 K1002 V1004 L1014 H1020 P1022 | T991-Y1016 WeakPolarHBondContact OG1-CD1 3.45Å; T991-Y1016 WeakPolarHBondContact OG1-CE1 3.29Å; K1002-Y1016 PolarHBondContact N-O 3.23Å; K1002-Y1016 PolarHBondContact O-N 3.27Å; V1004-Y1016 HydrophobicContact CB-CD2 4.4Å; V1004-Y1016 HydrophobicContact CB-CE2 3.96Å; V1004-Y1016 HydrophobicContact CG2-CD2 3.9Å; V1004-Y1016 HydrophobicContact CG2-CE2 3.84Å; L1014-Y1016 HydrophobicContact CB-CE2 3.58Å; L1014-Y1016 WeakPolarHBondContact CD1-OH 3.4Å; Y1016-H1020 HydrophobicContact CD1-CB 4.16Å; Y1016-H1020 WeakPolarHBondContact CD1-O 3.27Å; Y1016-P1022 HydrophobicContact CE1-CG 4.35Å; Y1016-P1022 HydrophobicContact CE2-CG 4.24Å |
| 1017 | C | 88.5 | Confident | 65.8 | Low | 14 Ų | 14 | 96.5 Ų | 96.5 | 10% | 0.095 | 52% | 0.515 | C | S | . | . | trans | -75 | 167.1 | 161.8 | 70.2 | 0 | 0 | 0 | 0 | 110.1 | C989 L996 L1019 H1020 V1021 | C989-C1017 PolarHBondContact SG-N 2.88Å; C989-C1017 VanDerWaalsContact SG-SG 3.66Å; L996-C1017 HydrophobicContact CD2-CB 3.51Å; C1017-L1019 PolarHBondContact O-N 2.81Å; C1017-L1019 VanDerWaalsContact O-N 3.12Å; C1017-H1020 PolarHBondContact O-N 2.8Å; C1017-H1020 PolarHBondContact SG-ND1 3.49Å; C1017-V1021 WeakPolarHBondContact O-CG2 3.07Å; C1017-V1021 PolarHBondContact O-N 3.32Å | ||
| 1018 | H | 82.1 | Confident | 64.5 | Low | 123 Ų | 123 | 95.4 Ų | 95.4 | 57% | 0.569 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.3 | -28 | 179.4 | 62.6 | -90.4 | 0 | 0 | 0 | 114.2 | ||
| 1019 | L | 83.2 | Confident | 63.5 | Low | 131 Ų | 131 | 95.2 Ų | 95.2 | 69% | 0.686 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78 | -18.3 | 178.3 | -58.5 | 176.6 | 0 | 0 | 0 | 114.3 | C1017 | C1017-L1019 PolarHBondContact O-N 2.81Å; C1017-L1019 VanDerWaalsContact O-N 3.12Å |
| 1020 | H | 86.5 | Confident | 62.8 | Low | 67 Ų | 67 | 99.5 Ų | 99.5 | 31% | 0.31 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -121.3 | 14.8 | -170.2 | -65.8 | 134.9 | 0 | 0 | 0 | 113.8 | C992 Y1016 C1017 P1022 | C992-H1020 PolarHBondContact SG-CE1 3.09Å; C992-H1020 PolarHBondContact SG-ND1 3.05Å; Y1016-H1020 HydrophobicContact CD1-CB 4.16Å; Y1016-H1020 WeakPolarHBondContact CD1-O 3.27Å; C1017-H1020 PolarHBondContact O-N 2.8Å; C1017-H1020 PolarHBondContact SG-ND1 3.49Å; H1020-P1022 WeakPolarHBondContact O-CD 3.34Å |
| 1021 | V | 78.9 | Confident | 61.8 | Low | 47 Ų | 47 | 100.8 Ų | 100.8 | 29% | 0.285 | 51% | 0.51 | S | S | . | . | trans | -68.4 | 124.1 | 175.5 | -167.3 | 0 | 0 | 0 | 0 | 109.5 | K1002 C1017 L1023 | K1002-V1021 HydrophobicContact CB-CG1 4.21Å; K1002-V1021 HydrophobicContact CB-CG2 3.76Å; K1002-V1021 HydrophobicContact CD-CG1 4.38Å; K1002-V1021 HydrophobicContact CD-CG2 4.2Å; K1002-V1021 HydrophobicContact CG-CG2 3.76Å; C1017-V1021 WeakPolarHBondContact O-CG2 3.07Å; C1017-V1021 PolarHBondContact O-N 3.32Å; V1021-L1023 PolarHBondContact O-N 2.91Å | ||
| 1022 | P | 71.7 | Confident | 59.9 | Low | 63 Ų | 63 | 102.3 Ų | 102.3 | 41% | 0.409 | 53% | 0.525 | S | S | . | . | trans | -61.2 | 128.5 | 171.2 | -21.8 | 33.3 | 0 | 0 | 0 | 111.1 | Y1016 H1020 E1024 | Y1016-P1022 HydrophobicContact CE1-CG 4.35Å; Y1016-P1022 HydrophobicContact CE2-CG 4.24Å; H1020-P1022 WeakPolarHBondContact O-CD 3.34Å; P1022-E1024 PolarHBondContact O-N 3.33Å | ||
| 1023 | L | 59.9 | Low | 58 | Low | 159 Ų | 159 | 102.5 Ų | 102.5 | 83% | 0.832 | 53% | 0.531 | S | S | * | . | trans | -78.3 | 108.7 | 172.7 | -69.1 | 170.5 | 0 | 0 | 0 | 109.4 | V1021 N1025 | V1021-L1023 PolarHBondContact O-N 2.91Å; L1023-N1025 PolarHBondContact O-N 2.98Å | ||
| 1024 | E | 49.7 | Very low | 55.9 | Low | 134 Ų | 134 | 107.7 Ų | 107.7 | 63% | 0.626 | 56% | 0.558 | S | S | * | * | trans | -75.9 | 103 | 173.8 | -66.2 | -130.6 | 131.4 | 0 | 0 | 110.6 | K1007 P1022 G1026 | K1007-E1024 WeakPolarHBondContact CE-OE1 3.19Å; K1007-E1024 IonicContact NZ-OE1 3.22Å; K1007-E1024 PolarHBondContact NZ-OE1 3.43Å; K1007-E1024 IonicContact NZ-OE2 2.71Å; K1007-E1024 PolarHBondContact NZ-OE2 3.19Å; P1022-E1024 PolarHBondContact O-N 3.33Å; E1024-G1026 PolarHBondContact O-N 2.93Å | ||
| 1025 | N | 33.7 | Very low | 53.3 | Low | 163 Ų | 163 | 109.2 Ų | 109.2 | 87% | 0.872 | 57% | 0.565 | S | S | * | * | trans | -72.6 | 123.7 | 177.8 | -75.3 | -33 | 0 | 0 | 0 | 112 | L1023 | L1023-N1025 PolarHBondContact O-N 2.98Š| ||
| 1026 | G | 30.8 | Very low | 50.4 | Low | 68 Ų | 68 | 116.6 Ų | 116.6 | 70% | 0.701 | 60% | 0.6 | S | S | * | * | trans | -178.6 | 104 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | E1024 | E1024-G1026 PolarHBondContact O-N 2.93Š| ||
| 1027 | L | 30.7 | Very low | 47.7 | Very low | 167 Ų | 167 | 119.2 Ų | 119.2 | 87% | 0.874 | 62% | 0.622 | S | S | * | * | trans | 75 | 87.3 | 175.9 | -51.4 | 175.6 | 0 | 0 | 0 | 117.4 | ||||
| 1028 | N | 29.1 | Very low | 44.9 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 77% | 0.765 | 66% | 0.663 | S | S | * | * | 24.6 | 133.9 | 103.9 | -60.9 | 10.4 | 0 | 0 | 0 | 116.8 | |||||
| 1029 | E | 30.3 | Very low | 42.3 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 61% | 0.607 | 67% | 0.671 | S | S | * | * | cis | -168.7 | 151 | 15.6 | -118.8 | -173.7 | 157.3 | 0 | 0 | 114.4 | ||||
| 1030 | R | 33.3 | Very low | 39.7 | Very low | 197 Ų | 197 | 134 Ų | 134 | 74% | 0.743 | 67% | 0.673 | S | S | * | * | trans | 72.9 | 122.6 | 146.3 | -64.2 | 167 | -169.3 | -171 | 13.5 | 123.5 | ||||
| 1031 | K | 31.9 | Very low | 37 | Very low | 192 Ų | 192 | 140.8 Ų | 140.8 | 84% | 0.835 | 70% | 0.702 | S | S | * | * | trans | 67.5 | 123 | 151.3 | -61.1 | -177.6 | 178.4 | -173.7 | 0 | 118.9 | ||||
| 1032 | V | 26.3 | Very low | 34.6 | Very low | 125 Ų | 125 | 142.7 Ų | 142.7 | 76% | 0.758 | 72% | 0.717 | S | S | * | * | cis | 87.1 | 134.9 | 8 | -163.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 1033 | D | 31.2 | Very low | 32.8 | Very low | 116 Ų | 116 | 147.3 Ų | 147.3 | 62% | 0.62 | 73% | 0.733 | S | S | * | * | trans | 86.6 | 151.1 | 167.7 | -66.1 | -34.9 | 0 | 0 | 0 | 124.5 | ||||
| 1034 | L | 33.6 | Very low | 31.5 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 61% | 0.607 | 72% | 0.717 | S | S | * | * | trans | 79 | 133.5 | 167.7 | -49 | -179 | 0 | 0 | 0 | 118.1 | N1560 | L1034-N1560 PolarHBondContact O-ND2 3.33Š| ||
| 1035 | I | 31.4 | Very low | 30.8 | Very low | 104 Ų | 104 | 139.8 Ų | 139.8 | 53% | 0.533 | 71% | 0.712 | S | S | . | * | cis | -150.5 | 157.4 | 1.6 | -113.1 | 157.3 | 0 | 0 | 0 | 109.8 | I1559 | I1035-I1559 WeakPolarHBondContact O-CG2 3.18Š| ||
| 1036 | E | 29.1 | Very low | 30.7 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 76% | 0.762 | 70% | 0.701 | S | S | * | * | trans | -82.3 | -162.9 | -174.6 | -54.8 | 159.7 | 95.2 | 0 | 0 | 114.9 | ||||
| 1037 | S | 30.1 | Very low | 31.1 | Very low | 82 Ų | 82 | 140.4 Ų | 140.4 | 57% | 0.573 | 69% | 0.693 | S | S | * | * | trans | 94.8 | 69.9 | 160.1 | 75.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 1038 | R | 30.5 | Very low | 31.3 | Very low | 250 Ų | 250 | 135.6 Ų | 135.6 | 94% | 0.943 | 68% | 0.677 | S | S | * | * | trans | -159 | 52.4 | 142.8 | -123.4 | -179.2 | -104.3 | -156.6 | -2.1 | 113 | ||||
| 1039 | Y | 27.3 | Very low | 31.5 | Very low | 193 Ų | 193 | 138.8 Ų | 138.8 | 76% | 0.757 | 68% | 0.679 | S | S | * | * | 59.2 | 92.9 | 104.1 | -99.3 | -97.1 | 0 | 0 | 0 | 117.3 | |||||
| 1040 | N | 28.1 | Very low | 31.6 | Very low | 136 Ų | 136 | 137 Ų | 137 | 73% | 0.727 | 67% | 0.673 | S | S | * | * | 54.4 | 82.3 | 124.7 | -56.1 | -0.9 | 0 | 0 | 0 | 119.3 | |||||
| 1041 | K | 29 | Very low | 31.7 | Very low | 209 Ų | 209 | 135.7 Ų | 135.7 | 91% | 0.909 | 68% | 0.675 | S | S | * | * | trans | -167.3 | 125.5 | 144.6 | -102.6 | 158 | -175.2 | 177.4 | 0 | 107.8 | ||||
| 1042 | S | 29.8 | Very low | 31.7 | Very low | 87 Ų | 87 | 130.3 Ų | 130.3 | 61% | 0.608 | 67% | 0.666 | S | S | * | * | cis | -148.9 | 105.4 | 1.2 | 43.9 | 0 | 0 | 0 | 0 | 112 | A1044 | S1042-A1044 PolarHBondContact O-N 3.18Š| ||
| 1043 | E | 32.7 | Very low | 31.6 | Very low | 160 Ų | 160 | 127.9 Ų | 127.9 | 75% | 0.748 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | 34.3 | 174.8 | -156 | -159 | 132.9 | 0 | 0 | 113 | K1047 | E1043-K1047 IonicContact OE1-NZ 2.88Å; E1043-K1047 PolarHBondContact OE1-NZ 3.09Å |
| 1044 | A | 33.2 | Very low | 31.5 | Very low | 60 Ų | 60 | 131.8 Ų | 131.8 | 50% | 0.496 | 68% | 0.681 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.7 | -23.7 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114 | S1042 A1048 | S1042-A1044 PolarHBondContact O-N 3.18Å; A1044-A1048 WeakPolarHBondContact O-CB 3.31Å; A1044-A1048 PolarHBondContact O-N 3.27Å |
| 1045 | S | 35.3 | Very low | 31.2 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 52% | 0.517 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -83.7 | -22.8 | -171.5 | 62.3 | 0 | 0 | 0 | 0 | 115 | R1049 | S1045-R1049 WeakPolarHBondContact O-CB 3.4Å; S1045-R1049 VanDerWaalsContact O-CD 3.23Å; S1045-R1049 WeakPolarHBondContact O-CD 3.32Å; S1045-R1049 WeakPolarHBondContact O-CG 3.31Å |
| 1046 | L | 32 | Very low | 31.3 | Very low | 123 Ų | 123 | 132.9 Ų | 132.9 | 64% | 0.644 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -93.6 | -35.7 | 176.5 | -97.9 | 128.2 | 0 | 0 | 0 | 113.5 | ||
| 1047 | K | 37.7 | Very low | 31.2 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 53% | 0.53 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -69.8 | -46.8 | 172.1 | -86 | 172.1 | 177.9 | 161.9 | 0 | 111.9 | E1043 R1049 L1050 Q1051 | E1043-K1047 IonicContact OE1-NZ 2.88Å; E1043-K1047 PolarHBondContact OE1-NZ 3.09Å; K1047-R1049 VanDerWaalsContact C-N 3.34Å; K1047-R1049 PolarHBondContact O-N 2.8Å; K1047-L1050 PolarHBondContact O-N 3.19Å; K1047-L1050 VanDerWaalsContact O-N 3.14Å; K1047-Q1051 PolarHBondContact O-N 3.1Å |
| 1048 | A | 35.4 | Very low | 31 | Very low | 65 Ų | 65 | 130 Ų | 130 | 54% | 0.537 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -66.1 | -32.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A1044 L1050 Q1051 A1052 | A1044-A1048 WeakPolarHBondContact O-CB 3.31Å; A1044-A1048 PolarHBondContact O-N 3.27Å; A1048-L1050 PolarHBondContact O-N 3.19Å; A1048-Q1051 PolarHBondContact O-N 2.95Å; A1048-A1052 PolarHBondContact O-N 3.33Å |
| 1049 | R | 33.8 | Very low | 31.2 | Very low | 211 Ų | 211 | 123.6 Ų | 123.6 | 80% | 0.796 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -77.2 | -0.1 | 176.3 | -69.9 | -179.8 | 68.9 | -179.3 | 1.2 | 114.5 | S1045 K1047 | S1045-R1049 WeakPolarHBondContact O-CB 3.4Å; S1045-R1049 VanDerWaalsContact O-CD 3.23Å; S1045-R1049 WeakPolarHBondContact O-CD 3.32Å; S1045-R1049 WeakPolarHBondContact O-CG 3.31Å; K1047-R1049 VanDerWaalsContact C-N 3.34Å; K1047-R1049 PolarHBondContact O-N 2.8Å |
| 1050 | L | 32.8 | Very low | 31.1 | Very low | 92 Ų | 92 | 118.7 Ų | 118.7 | 48% | 0.482 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -120.9 | -0.1 | 174.9 | -69.2 | 173.5 | 0 | 0 | 0 | 113.1 | K1047 A1048 P1572 I1574 | K1047-L1050 PolarHBondContact O-N 3.19Å; K1047-L1050 VanDerWaalsContact O-N 3.14Å; A1048-L1050 PolarHBondContact O-N 3.19Å; L1050-P1572 HydrophobicContact CD1-CG 4.23Å; L1050-P1572 HydrophobicContact CD2-CG 4.1Å; L1050-I1574 HydrophobicContact CD2-CD1 4.29Å |
| 1051 | Q | 35.3 | Very low | 31 | Very low | 169 Ų | 169 | 116.9 Ų | 116.9 | 79% | 0.79 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -122 | 0.7 | 177.7 | -66.4 | -172.1 | -60.5 | 0 | 0 | 114.1 | K1047 A1048 | K1047-Q1051 PolarHBondContact O-N 3.1Å; A1048-Q1051 PolarHBondContact O-N 2.95Å |
| 1052 | A | 30.3 | Very low | 30.9 | Very low | 79 Ų | 79 | 112.8 Ų | 112.8 | 65% | 0.653 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -143.7 | 132.1 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | A1048 | A1048-A1052 PolarHBondContact O-N 3.33Š|
| 1053 | G | 26 | Very low | 30.7 | Very low | 75 Ų | 75 | 117 Ų | 117 | 77% | 0.773 | 67% | 0.666 | S | S | * | * | cis | 171.3 | 49 | -0.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1054 | Q | 29 | Very low | 30.6 | Very low | 197 Ų | 197 | 115.3 Ų | 115.3 | 92% | 0.921 | 66% | 0.663 | S | S | * | * | trans | -159.5 | 109.4 | 167.9 | -112.6 | 160.8 | 20.5 | 0 | 0 | 112.1 | ||||
| 1055 | F | 26 | Very low | 30.4 | Very low | 127 Ų | 127 | 118.1 Ų | 118.1 | 56% | 0.557 | 67% | 0.673 | S | S | * | * | trans | -100.1 | 152.2 | 154.8 | -107.9 | -71.5 | 0 | 0 | 0 | 107.2 | F1057 I1574 | F1055-F1057 HydrophobicContact CB-CD2 3.9Å; F1055-F1057 HydrophobicContact CB-CE2 4.18Å; F1055-F1057 AromaticContact CD1-CD2 3.31Å; F1055-F1057 HydrophobicContact CD1-CD2 3.31Å; F1055-F1057 HydrophobicContact CD1-CE1 4.44Å; F1055-F1057 AromaticContact CD1-CE2 3.24Å; F1055-F1057 HydrophobicContact CD1-CE2 3.24Å; F1055-F1057 AromaticContact CD1-CG 3.95Å; F1055-F1057 HydrophobicContact CD1-CG 3.95Å; F1055-F1057 AromaticContact CD1-CZ 3.83Å; F1055-F1057 HydrophobicContact CD1-CZ 3.83Å; F1055-F1057 HydrophobicContact CD2-CD2 4.44Å; F1055-F1057 AromaticContact CD2-CE2 3.86Å; F1055-F1057 HydrophobicContact CD2-CE2 3.86Å; F1055-F1057 AromaticContact CE1-CD2 3.89Å; F1055-F1057 HydrophobicContact CE1-CD2 3.89Å; F1055-F1057 HydrophobicContact CE1-CE1 4.08Å; F1055-F1057 AromaticContact CE1-CE2 3.42Å; F1055-F1057 HydrophobicContact CE1-CE2 3.42Å; F1055-F1057 VanDerWaalsContact CE1-CE2 3.42Å; F1055-F1057 HydrophobicContact CE1-CG 4.39Å; F1055-F1057 AromaticContact CE1-CZ 3.49Å; F1055-F1057 HydrophobicContact CE1-CZ 3.49Å; F1055-F1057 VanDerWaalsContact CE1-CZ 3.49Å; F1055-F1057 HydrophobicContact CE2-CE2 4.01Å; F1055-F1057 HydrophobicContact CE2-CZ 4.35Å; F1055-F1057 AromaticContact CG-CD2 3.64Å; F1055-F1057 HydrophobicContact CG-CD2 3.64Å; F1055-F1057 AromaticContact CG-CE2 3.48Å; F1055-F1057 HydrophobicContact CG-CE2 3.48Å; F1055-F1057 VanDerWaalsContact CG-CE2 3.48Å; F1055-F1057 HydrophobicContact CG-CZ 4.38Å; F1055-F1057 AromaticContact CZ-CE2 3.82Å; F1055-F1057 HydrophobicContact CZ-CE2 3.82Å; F1055-F1057 AromaticContact CZ-CZ 3.8Å; F1055-F1057 HydrophobicContact CZ-CZ 3.8Å; F1055-I1574 HydrophobicContact CE2-CG2 4Å; F1055-I1574 HydrophobicContact CZ-CG2 3.61Å | ||
| 1056 | P | 32.8 | Very low | 30.2 | Very low | 116 Ų | 116 | 120.9 Ų | 120.9 | 75% | 0.753 | 68% | 0.682 | S | S | * | * | -139.6 | 159.2 | 84.4 | 41.8 | -27.6 | 0 | 0 | 0 | 112 | |||||
| 1057 | F | 27 | Very low | 30 | Very low | 115 Ų | 115 | 121.6 Ų | 121.6 | 50% | 0.504 | 69% | 0.686 | S | S | . | * | cis | 65.8 | 146.1 | 40.3 | -65.2 | -53.5 | 0 | 0 | 0 | 115.2 | F1055 I1575 | F1055-F1057 HydrophobicContact CB-CD2 3.9Å; F1055-F1057 HydrophobicContact CB-CE2 4.18Å; F1055-F1057 AromaticContact CD1-CD2 3.31Å; F1055-F1057 HydrophobicContact CD1-CD2 3.31Å; F1055-F1057 HydrophobicContact CD1-CE1 4.44Å; F1055-F1057 AromaticContact CD1-CE2 3.24Å; F1055-F1057 HydrophobicContact CD1-CE2 3.24Å; F1055-F1057 AromaticContact CD1-CG 3.95Å; F1055-F1057 HydrophobicContact CD1-CG 3.95Å; F1055-F1057 AromaticContact CD1-CZ 3.83Å; F1055-F1057 HydrophobicContact CD1-CZ 3.83Å; F1055-F1057 HydrophobicContact CD2-CD2 4.44Å; F1055-F1057 AromaticContact CD2-CE2 3.86Å; F1055-F1057 HydrophobicContact CD2-CE2 3.86Å; F1055-F1057 AromaticContact CE1-CD2 3.89Å; F1055-F1057 HydrophobicContact CE1-CD2 3.89Å; F1055-F1057 HydrophobicContact CE1-CE1 4.08Å; F1055-F1057 AromaticContact CE1-CE2 3.42Å; F1055-F1057 HydrophobicContact CE1-CE2 3.42Å; F1055-F1057 VanDerWaalsContact CE1-CE2 3.42Å; F1055-F1057 HydrophobicContact CE1-CG 4.39Å; F1055-F1057 AromaticContact CE1-CZ 3.49Å; F1055-F1057 HydrophobicContact CE1-CZ 3.49Å; F1055-F1057 VanDerWaalsContact CE1-CZ 3.49Å; F1055-F1057 HydrophobicContact CE2-CE2 4.01Å; F1055-F1057 HydrophobicContact CE2-CZ 4.35Å; F1055-F1057 AromaticContact CG-CD2 3.64Å; F1055-F1057 HydrophobicContact CG-CD2 3.64Å; F1055-F1057 AromaticContact CG-CE2 3.48Å; F1055-F1057 HydrophobicContact CG-CE2 3.48Å; F1055-F1057 VanDerWaalsContact CG-CE2 3.48Å; F1055-F1057 HydrophobicContact CG-CZ 4.38Å; F1055-F1057 AromaticContact CZ-CE2 3.82Å; F1055-F1057 HydrophobicContact CZ-CE2 3.82Å; F1055-F1057 AromaticContact CZ-CZ 3.8Å; F1055-F1057 HydrophobicContact CZ-CZ 3.8Å; F1057-I1575 HydrophobicContact CE1-CB 4.24Å; F1057-I1575 HydrophobicContact CE1-CG2 3.53Å; F1057-I1575 HydrophobicContact CZ-CB 3.94Å; F1057-I1575 HydrophobicContact CZ-CD1 4Å; F1057-I1575 HydrophobicContact CZ-CG2 3.54Å | ||
| 1058 | G | 27.4 | Very low | 29.5 | Very low | 69 Ų | 69 | 122.3 Ų | 122.3 | 71% | 0.711 | 69% | 0.693 | S | S | * | * | trans | -78.5 | -162.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1059 | P | 33.2 | Very low | 29.3 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | cis | -141.7 | -150.9 | 34.7 | 40.7 | -19.3 | 0 | 0 | 0 | 113.8 | ||||
| 1060 | S | 25.9 | Very low | 29.1 | Very low | 89 Ų | 89 | 120.2 Ų | 120.2 | 62% | 0.622 | 71% | 0.707 | S | S | * | * | trans | 63.3 | 116.6 | 149.1 | 58.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1061 | S | 26.3 | Very low | 28.8 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 69% | 0.692 | 72% | 0.721 | S | S | * | * | trans | 56 | 119.7 | 134.9 | 64.7 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1062 | V | 26.8 | Very low | 28.6 | Very low | 122 Ų | 122 | 117.7 Ų | 117.7 | 74% | 0.739 | 73% | 0.728 | S | S | * | * | 72.2 | 108.5 | 127.3 | 179.1 | 0 | 0 | 0 | 0 | 118.2 | |||||
| 1063 | K | 26.5 | Very low | 28.6 | Very low | 176 Ų | 176 | 119.2 Ų | 119.2 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | trans | 84.5 | 143.8 | 144 | -81.6 | 175.9 | -177.8 | -176.1 | 0 | 122.2 | ||||
| 1064 | D | 30.4 | Very low | 29 | Very low | 125 Ų | 125 | 120.9 Ų | 120.9 | 67% | 0.668 | 73% | 0.731 | S | S | * | * | trans | 68 | 89.6 | 139.2 | -56.2 | -17.5 | 0 | 0 | 0 | 122 | ||||
| 1065 | V | 28.7 | Very low | 29 | Very low | 119 Ų | 119 | 118 Ų | 118 | 72% | 0.721 | 73% | 0.727 | S | S | * | * | 75.8 | 144.3 | 108.1 | 163.1 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1066 | N | 30.3 | Very low | 29.2 | Very low | 132 Ų | 132 | 120.7 Ų | 120.7 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | 93 | 99.9 | 160.7 | -77.9 | -20.7 | 0 | 0 | 0 | 122.3 | ||||
| 1067 | L | 27.7 | Very low | 28.9 | Very low | 137 Ų | 137 | 123.2 Ų | 123.2 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | 76.4 | 149 | 103 | -123.8 | 65.7 | 0 | 0 | 0 | 123 | |||||
| 1068 | M | 28.8 | Very low | 29.1 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | trans | 88.3 | 108.1 | 153.7 | -63.7 | -69.2 | 170.9 | 0 | 0 | 121.7 | ||||
| 1069 | N | 29.8 | Very low | 29.1 | Very low | 153 Ų | 153 | 124.9 Ų | 124.9 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | 65.2 | 147.2 | 127.4 | -58 | -9.8 | 0 | 0 | 0 | 123.2 | |||||
| 1070 | G | 30.2 | Very low | 28.9 | Very low | 80 Ų | 80 | 123.4 Ų | 123.4 | 83% | 0.825 | 74% | 0.744 | S | S | * | * | trans | 147.4 | 87.2 | 149.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1071 | G | 26.8 | Very low | 29.2 | Very low | 75 Ų | 75 | 123.4 Ų | 123.4 | 77% | 0.773 | 74% | 0.737 | S | S | * | * | trans | -80.5 | -158.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1072 | S | 31.3 | Very low | 29.6 | Very low | 132 Ų | 132 | 123.5 Ų | 123.5 | 92% | 0.923 | 73% | 0.73 | S | S | * | * | trans | 93.3 | 126.6 | 161.8 | -53.9 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1073 | S | 29.4 | Very low | 30 | Very low | 111 Ų | 111 | 123.2 Ų | 123.2 | 78% | 0.776 | 72% | 0.723 | S | S | * | * | trans | -101.6 | -162.1 | 163.4 | 61.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1074 | P | 34 | Very low | 30 | Very low | 110 Ų | 110 | 119.3 Ų | 119.3 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | cis | -134.2 | -160.7 | -9.1 | 40.7 | -21 | 0 | 0 | 0 | 113 | ||||
| 1075 | V | 30 | Very low | 29.8 | Very low | 138 Ų | 138 | 118 Ų | 118 | 84% | 0.836 | 73% | 0.731 | S | S | * | * | trans | 160 | 158.7 | 134.1 | 159.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1076 | K | 29.1 | Very low | 29.6 | Very low | 182 Ų | 182 | 116.8 Ų | 116.8 | 79% | 0.791 | 73% | 0.727 | S | S | * | * | trans | -117.7 | 166.6 | -174.4 | -51.2 | 171.8 | -179.5 | 175.8 | 0 | 112.2 | ||||
| 1077 | L | 27.3 | Very low | 29.5 | Very low | 169 Ų | 169 | 118 Ų | 118 | 89% | 0.885 | 73% | 0.728 | S | S | * | * | -166.1 | 169.2 | 129 | -103.8 | 162 | 0 | 0 | 0 | 111.5 | |||||
| 1078 | N | 30.5 | Very low | 29.4 | Very low | 148 Ų | 148 | 116.3 Ų | 116.3 | 79% | 0.791 | 72% | 0.724 | S | S | * | * | trans | -122.5 | 158.4 | -162 | -55.4 | -31.1 | 0 | 0 | 0 | 113.5 | ||||
| 1079 | G | 28.3 | Very low | 29.3 | Very low | 72 Ų | 72 | 112.1 Ų | 112.1 | 74% | 0.742 | 71% | 0.707 | S | S | * | * | trans | 165.6 | 117.9 | 141 | 0 | 0 | 0 | 0 | 0 | 127.5 | ||||
| 1080 | L | 29.2 | Very low | 29.2 | Very low | 85 Ų | 85 | 113.1 Ų | 113.1 | 45% | 0.445 | 70% | 0.701 | S | S | . | * | 101.5 | 58.5 | 112.3 | -35.3 | -178.3 | 0 | 0 | 0 | 127.2 | Y1090 I1091 | L1080-Y1090 WeakPolarHBondContact CD1-O 3.34Å; L1080-Y1090 WeakPolarHBondContact CD2-O 3.18Å; L1080-I1091 WeakPolarHBondContact CB-O 3.48Å; L1080-I1091 WeakPolarHBondContact CD1-O 3.35Å; L1080-I1091 WeakPolarHBondContact CG-O 3.39Å | |||
| 1081 | N | 32.5 | Very low | 29 | Very low | 89 Ų | 89 | 114 Ų | 114 | 48% | 0.476 | 69% | 0.685 | S | S | . | * | 72.2 | 155.2 | 108.8 | -56.3 | -34.1 | 0 | 0 | 0 | 129.2 | P1089 Y1090 | N1081-P1089 HydrophobicContact CB-CB 4.17Å; N1081-P1089 HydrophobicContact CB-CG 3.94Å; N1081-P1089 VanDerWaalsContact ND2-C 3.26Å; N1081-P1089 VanDerWaalsContact ND2-CB 3.27Å; N1081-P1089 WeakPolarHBondContact ND2-CB 3.41Å; N1081-P1089 WeakPolarHBondContact OD1-CB 3.39Å; N1081-Y1090 PolarHBondContact ND2-N 3.12Å | |||
| 1082 | N | 33 | Very low | 29.1 | Very low | 101 Ų | 101 | 118.1 Ų | 118.1 | 54% | 0.54 | 68% | 0.682 | S | S | . | * | trans | 101.6 | 145.6 | 141.6 | -76.9 | -11.5 | 0 | 0 | 0 | 123.3 | P1089 | N1082-P1089 PolarHBondContact ND2-O 3.25Å; N1082-P1089 VanDerWaalsContact OD1-CD 3.26Å; N1082-P1089 WeakPolarHBondContact OD1-CD 3.22Å; N1082-P1089 WeakPolarHBondContact OD1-CG 3.45Å; N1082-P1089 PolarHBondContact OD1-O 3.34Å | ||
| 1083 | I | 35.3 | Very low | 29.1 | Very low | 116 Ų | 116 | 116.4 Ų | 116.4 | 60% | 0.595 | 67% | 0.67 | S | S | * | * | cis | -162.6 | 161 | -24.5 | -139.2 | 173.2 | 0 | 0 | 0 | 111.6 | ||||
| 1084 | A | 28.2 | Very low | 29 | Very low | 94 Ų | 94 | 117.2 Ų | 117.2 | 78% | 0.777 | 67% | 0.666 | S | S | * | * | S | Bend | trans | 135.4 | 112.8 | 145.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1085 | A | 25.3 | Very low | 28.8 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 82% | 0.818 | 67% | 0.67 | S | S | * | * | S | Bend | cis | -145.5 | 159.5 | -9.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||
| 1086 | S | 24.4 | Very low | 28.6 | Very low | 93 Ų | 93 | 120.5 Ų | 120.5 | 65% | 0.65 | 67% | 0.666 | S | S | * | * | S | Bend | cis | -140.7 | 160.5 | 9.7 | 59.2 | 0 | 0 | 0 | 0 | 112 | ||
| 1087 | H | 29 | Very low | 28.5 | Very low | 157 Ų | 157 | 118.4 Ų | 118.4 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | S | Bend | trans | 62.1 | 125.1 | 166.6 | -64.8 | -66.5 | 0 | 0 | 0 | 120.4 | ||
| 1088 | T | 25.4 | Very low | 28.6 | Very low | 101 Ų | 101 | 117.3 Ų | 117.3 | 62% | 0.62 | 65% | 0.653 | S | S | * | * | cis | -159.2 | 113.6 | -27.4 | -10.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1089 | P | 26.8 | Very low | 28.5 | Very low | 50 Ų | 50 | 119.5 Ų | 119.5 | 33% | 0.325 | 65% | 0.65 | S | S | . | * | trans | -132.7 | 154.9 | 174.9 | 46.2 | -32.6 | 0 | 0 | 0 | 112.1 | N1081 N1082 | N1081-P1089 HydrophobicContact CB-CB 4.17Å; N1081-P1089 HydrophobicContact CB-CG 3.94Å; N1081-P1089 VanDerWaalsContact ND2-C 3.26Å; N1081-P1089 VanDerWaalsContact ND2-CB 3.27Å; N1081-P1089 WeakPolarHBondContact ND2-CB 3.41Å; N1081-P1089 WeakPolarHBondContact OD1-CB 3.39Å; N1082-P1089 PolarHBondContact ND2-O 3.25Å; N1082-P1089 VanDerWaalsContact OD1-CD 3.26Å; N1082-P1089 WeakPolarHBondContact OD1-CD 3.22Å; N1082-P1089 WeakPolarHBondContact OD1-CG 3.45Å; N1082-P1089 PolarHBondContact OD1-O 3.34Å | ||
| 1090 | Y | 27.6 | Very low | 28.5 | Very low | 174 Ų | 174 | 123.4 Ų | 123.4 | 68% | 0.682 | 65% | 0.649 | S | S | * | * | trans | -135.4 | 116 | -139.2 | -144.5 | -94.4 | 0 | 0 | 0 | 116.3 | L1080 N1081 | L1080-Y1090 WeakPolarHBondContact CD1-O 3.34Å; L1080-Y1090 WeakPolarHBondContact CD2-O 3.18Å; N1081-Y1090 PolarHBondContact ND2-N 3.12Å | ||
| 1091 | I | 26.1 | Very low | 28.6 | Very low | 97 Ų | 97 | 126.5 Ų | 126.5 | 50% | 0.497 | 67% | 0.666 | S | S | . | * | trans | 86.8 | 132.9 | 161.1 | -74.9 | 175.9 | 0 | 0 | 0 | 121.3 | L1080 | L1080-I1091 WeakPolarHBondContact CB-O 3.48Å; L1080-I1091 WeakPolarHBondContact CD1-O 3.35Å; L1080-I1091 WeakPolarHBondContact CG-O 3.39Å | ||
| 1092 | K | 27.7 | Very low | 28.6 | Very low | 163 Ų | 163 | 126.7 Ų | 126.7 | 71% | 0.709 | 67% | 0.672 | S | S | * | * | trans | 52.1 | 149.8 | 154.9 | -76.5 | 174.6 | -177.5 | -173.5 | 0 | 122.1 | ||||
| 1093 | S | 31.3 | Very low | 28.3 | Very low | 96 Ų | 96 | 129 Ų | 129 | 67% | 0.671 | 68% | 0.683 | S | S | * | * | cis | -149 | 132.6 | 9 | 16.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 1094 | D | 27.8 | Very low | 27.9 | Very low | 128 Ų | 128 | 128.2 Ų | 128.2 | 68% | 0.684 | 69% | 0.688 | S | S | * | * | 66.1 | 102.7 | 128 | -46.5 | -23 | 0 | 0 | 0 | 121.4 | |||||
| 1095 | L | 29.4 | Very low | 27.8 | Very low | 156 Ų | 156 | 128.6 Ų | 128.6 | 82% | 0.817 | 69% | 0.685 | S | S | * | * | 147.1 | 138 | 117.7 | -76.5 | 157.9 | 0 | 0 | 0 | 111.2 | |||||
| 1096 | Q | 26.5 | Very low | 27.8 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 75% | 0.748 | 68% | 0.682 | S | S | * | * | cis | -169.3 | -177.9 | -28.6 | -141.7 | 177 | 25.5 | 0 | 0 | 107.6 | ||||
| 1097 | I | 28 | Very low | 27.9 | Very low | 139 Ų | 139 | 131.2 Ų | 131.2 | 71% | 0.713 | 69% | 0.686 | S | S | * | * | trans | 78.2 | 86.7 | 162.1 | -59.8 | 159 | 0 | 0 | 0 | 117.7 | ||||
| 1098 | H | 28.9 | Very low | 27.6 | Very low | 146 Ų | 146 | 132.2 Ų | 132.2 | 68% | 0.676 | 68% | 0.684 | S | S | * | * | 73.9 | 131.1 | 118.9 | -80.1 | -68.9 | 0 | 0 | 0 | 125.2 | |||||
| 1099 | R | 27.2 | Very low | 27.7 | Very low | 193 Ų | 193 | 134 Ų | 134 | 73% | 0.728 | 69% | 0.685 | S | S | * | * | trans | 78.1 | 147.8 | 137.3 | -73.1 | -160.1 | 169.2 | 126.8 | 0.4 | 120.5 | ||||
| 1100 | E | 29.7 | Very low | 27.7 | Very low | 155 Ų | 155 | 140 Ų | 140 | 72% | 0.724 | 71% | 0.707 | S | S | * | * | cis | -158 | 168.3 | -27.4 | -127.2 | 157 | -140.4 | 0 | 0 | 110.2 | ||||
| 1101 | N | 29.6 | Very low | 27.7 | Very low | 150 Ų | 150 | 135.5 Ų | 135.5 | 80% | 0.802 | 71% | 0.713 | S | S | * | * | trans | -64.6 | -170.6 | 176.8 | -126.1 | -10.4 | 0 | 0 | 0 | 113.1 | ||||
| 1102 | P | 33.6 | Very low | 27.8 | Very low | 93 Ų | 93 | 135 Ų | 135 | 60% | 0.604 | 73% | 0.732 | S | S | * | * | cis | -148.7 | -173.1 | -10.1 | 36.4 | -12.6 | 0 | 0 | 0 | 117.9 | ||||
| 1103 | L | 26.6 | Very low | 27.9 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | 65.8 | 118.9 | 133.4 | -83.5 | 162.4 | 0 | 0 | 0 | 124.6 | ||||
| 1104 | S | 26.1 | Very low | 27.6 | Very low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | 121.1 | 152 | 103.5 | 68.7 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1105 | S | 27.6 | Very low | 27.5 | Very low | 102 Ų | 102 | 128.2 Ų | 128.2 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | 63.2 | 108.6 | 160 | 51.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1106 | C | 24 | Very low | 27.5 | Very low | 112 Ų | 112 | 129 Ų | 129 | 76% | 0.757 | 72% | 0.724 | S | S | * | * | 28.8 | 136 | 102.2 | -58.4 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 1107 | N | 26.5 | Very low | 27.6 | Very low | 135 Ų | 135 | 129.7 Ų | 129.7 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | cis | -173.1 | 151 | 49.8 | -118.5 | -14.9 | 0 | 0 | 0 | 113.7 | ||||
| 1108 | Y | 24.1 | Very low | 27.7 | Very low | 178 Ų | 178 | 126.4 Ų | 126.4 | 70% | 0.698 | 73% | 0.727 | S | S | * | * | trans | 44.1 | 151.9 | 139.6 | -93.8 | -78.3 | 0 | 0 | 0 | 125.7 | ||||
| 1109 | Q | 26.7 | Very low | 27.6 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 64% | 0.64 | 73% | 0.734 | S | S | * | * | trans | 88.1 | 131.2 | 146.7 | -81.7 | -178.9 | 84.1 | 0 | 0 | 121.6 | ||||
| 1110 | K | 26.9 | Very low | 27.7 | Very low | 178 Ų | 178 | 124.3 Ų | 124.3 | 77% | 0.774 | 73% | 0.729 | S | S | * | * | trans | 42.6 | 112.7 | 140.7 | -58.6 | 168.6 | -179.8 | 160.9 | 0 | 116.8 | ||||
| 1111 | G | 27.6 | Very low | 27.5 | Very low | 79 Ų | 79 | 118.7 Ų | 118.7 | 81% | 0.814 | 71% | 0.706 | S | S | * | * | 99 | 135.9 | 52.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1112 | G | 27.3 | Very low | 27.4 | Very low | 87 Ų | 87 | 115.3 Ų | 115.3 | 90% | 0.897 | 69% | 0.691 | S | S | * | * | trans | 86.4 | 173.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1113 | G | 29.4 | Very low | 27 | Very low | 83 Ų | 83 | 112.8 Ų | 112.8 | 86% | 0.856 | 68% | 0.682 | S | S | * | * | trans | 100.6 | 67.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1114 | S | 26.8 | Very low | 27.4 | Very low | 68 Ų | 68 | 112.1 Ų | 112.1 | 48% | 0.476 | 69% | 0.687 | S | S | . | * | trans | -54.5 | 149.2 | 163.3 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | R1532 | S1114-R1532 PolarHBondContact OG-NH1 3.38Š| ||
| 1115 | D | 25 | Very low | 27.4 | Very low | 93 Ų | 93 | 110.8 Ų | 110.8 | 50% | 0.497 | 69% | 0.689 | S | S | . | * | trans | 38.1 | 126.9 | 146.1 | -30.8 | -40.5 | 0 | 0 | 0 | 120.4 | R1532 | D1115-R1532 VanDerWaalsContact OD2-CB 3.24Å; D1115-R1532 WeakPolarHBondContact OD2-CB 3.29Å; D1115-R1532 WeakPolarHBondContact OD2-CD 3.29Å; D1115-R1532 IonicContact OD2-NH1 3.54Å | ||
| 1116 | I | 29 | Very low | 27.3 | Very low | 172 Ų | 172 | 117 Ų | 117 | 88% | 0.882 | 70% | 0.697 | S | S | * | * | -156.2 | 147.7 | 129.8 | -104.2 | 149 | 0 | 0 | 0 | 109.4 | |||||
| 1117 | H | 28.5 | Very low | 27.4 | Very low | 175 Ų | 175 | 117.1 Ų | 117.1 | 81% | 0.81 | 70% | 0.699 | S | S | * | * | trans | -62.1 | 147.1 | -175.5 | -71.4 | -95 | 0 | 0 | 0 | 113.8 | ||||
| 1118 | G | 29.6 | Very low | 27.4 | Very low | 70 Ų | 70 | 114.6 Ų | 114.6 | 72% | 0.722 | 70% | 0.697 | S | S | * | * | trans | -160.8 | 99 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1119 | N | 28 | Very low | 27.4 | Very low | 152 Ų | 152 | 113.5 Ų | 113.5 | 81% | 0.813 | 70% | 0.701 | S | S | * | * | trans | -61.2 | 144 | 159 | -65.3 | -10.5 | 0 | 0 | 0 | 108.1 | ||||
| 1120 | F | 28.4 | Very low | 27.4 | Very low | 143 Ų | 143 | 114.1 Ų | 114.1 | 63% | 0.627 | 71% | 0.708 | S | S | * | * | 179 | 161.2 | 121.5 | -113.1 | -111.7 | 0 | 0 | 0 | 109 | F1546 V1547 | F1120-F1546 CarbonylContact C-O 3.58Å; F1120-F1546 VanDerWaalsContact C-O 3.28Å; F1120-F1546 CarbonylContact O-C 3.3Å; F1120-V1547 VanDerWaalsContact O-CG2 3.29Å; F1120-V1547 WeakPolarHBondContact O-CG2 3.45Å; F1120-V1547 PolarHBondContact O-N 2.94Å | |||
| 1121 | S | 27 | Very low | 27.5 | Very low | 36 Ų | 36 | 109.9 Ų | 109.9 | 25% | 0.252 | 71% | 0.707 | S | S | . | * | cis | 115.2 | 33.9 | 0.5 | -154.8 | 0 | 0 | 0 | 0 | 124.5 | Q1545 F1546 | S1121-Q1545 PolarHBondContact O-OE1 3.19Å; S1121-Q1545 WeakPolarHBondContact OG-CB 3.37Å; S1121-Q1545 VanDerWaalsContact OG-CD 3.22Å; S1121-Q1545 PolarHBondContact OG-OE1 2.97Å; S1121-F1546 CarbonylContact C-O 2.95Å; S1121-F1546 WeakPolarHBondContact CA-O 3.21Å; S1121-F1546 PolarHBondContact N-O 2.91Å | ||
| 1122 | V | 26 | Very low | 27.5 | Very low | 79 Ų | 79 | 109 Ų | 109 | 48% | 0.479 | 70% | 0.698 | S | S | . | * | trans | -169.3 | 0 | 135.9 | 91 | 0 | 0 | 0 | 0 | 112 | F1546 | V1122-F1546 CarbonylContact C-O 3.42Å; V1122-F1546 VanDerWaalsContact CA-CG 3.4Å; V1122-F1546 HydrophobicContact CB-CD2 4.09Å; V1122-F1546 HydrophobicContact CB-CE1 4.26Å; V1122-F1546 HydrophobicContact CB-CE2 3.27Å; V1122-F1546 HydrophobicContact CB-CZ 3.36Å; V1122-F1546 HydrophobicContact CG1-CE1 3.94Å; V1122-F1546 HydrophobicContact CG1-CE2 4.13Å; V1122-F1546 HydrophobicContact CG1-CZ 3.45Å; V1122-F1546 VanDerWaalsContact CG1-CZ 3.45Å; V1122-F1546 HydrophobicContact CG2-CD2 4.44Å; V1122-F1546 HydrophobicContact CG2-CE2 3.1Å; V1122-F1546 HydrophobicContact CG2-CZ 3.38Å; V1122-F1546 PolarHBondContact N-O 2.58Å; V1122-F1546 WeakPolarHBondContact O-CD1 3.39Å; V1122-F1546 WeakPolarHBondContact O-CD2 3.3Å; V1122-F1546 WeakPolarHBondContact O-CE1 3.47Å; V1122-F1546 WeakPolarHBondContact O-CE2 3.47Å; V1122-F1546 WeakPolarHBondContact O-CG 3.49Å; V1122-F1546 WeakPolarHBondContact O-CZ 3.5Å | ||
| 1123 | G | 27 | Very low | 27.6 | Very low | 41 Ų | 41 | 111.9 Ų | 111.9 | 42% | 0.423 | 69% | 0.691 | S | S | . | * | 0 | -104 | 0 | 0 | 0 | 0 | 0 | 0 | 123.6 | F1546 | G1123-F1546 VanDerWaalsContact CA-CD2 3.45Å; G1123-F1546 VanDerWaalsContact CA-CZ 3.43Å; G1123-F1546 WeakPolarHBondContact O-CD1 3.46Å; G1123-F1546 WeakPolarHBondContact O-CE1 3.16Å | |||
| 1124 | P | 33.6 | Very low | 27.6 | Very low | 135 Ų | 135 | 113.9 Ų | 113.9 | 88% | 0.877 | 68% | 0.683 | S | S | * | * | -105.5 | 154.4 | -123.3 | 35.7 | -33.3 | 0 | 0 | 0 | 117.6 | |||||
| 1125 | G | 25.5 | Very low | 27.7 | Very low | 72 Ų | 72 | 116.9 Ų | 116.9 | 74% | 0.742 | 69% | 0.694 | S | S | * | * | trans | 120.4 | 158.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1126 | R | 26.2 | Very low | 27.9 | Very low | 232 Ų | 232 | 119.7 Ų | 119.7 | 88% | 0.875 | 71% | 0.708 | S | S | * | * | cis | -169.9 | 137.2 | -5.2 | -141.9 | -177.4 | -167.6 | -175.8 | 3.8 | 108.6 | ||||
| 1127 | S | 26.5 | Very low | 28 | Very low | 115 Ų | 115 | 116.4 Ų | 116.4 | 80% | 0.804 | 70% | 0.701 | S | S | * | * | trans | 57.9 | 157 | 160.6 | 44.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 1128 | A | 25.9 | Very low | 28 | Very low | 81 Ų | 81 | 116.2 Ų | 116.2 | 67% | 0.669 | 71% | 0.706 | S | S | * | * | cis | -173.7 | -166.7 | -22.8 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1129 | I | 25.6 | Very low | 27.9 | Very low | 155 Ų | 155 | 118.7 Ų | 118.7 | 80% | 0.795 | 70% | 0.699 | S | S | * | * | trans | 73.9 | 124.3 | 159.1 | -61.5 | 169.7 | 0 | 0 | 0 | 114.7 | ||||
| 1130 | L | 26.6 | Very low | 27.8 | Very low | 150 Ų | 150 | 117.3 Ų | 117.3 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | cis | -164 | 160.9 | -7.3 | -151.2 | 74 | 0 | 0 | 0 | 111.6 | ||||
| 1131 | A | 29 | Very low | 27.7 | Very low | 90 Ų | 90 | 118.9 Ų | 118.9 | 74% | 0.744 | 71% | 0.707 | S | S | * | * | trans | 52.4 | 143.5 | 149.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1132 | G | 27.3 | Very low | 27.6 | Very low | 61 Ų | 61 | 120.4 Ų | 120.4 | 63% | 0.629 | 73% | 0.728 | S | S | * | * | cis | -164.6 | 146.6 | -2.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1133 | L | 29.1 | Very low | 27.5 | Very low | 146 Ų | 146 | 124.5 Ų | 124.5 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | 89.8 | 132.8 | 87.6 | -70.7 | -178.4 | 0 | 0 | 0 | 111.8 | |||||
| 1134 | N | 28.9 | Very low | 27.4 | Very low | 126 Ų | 126 | 128 Ų | 128 | 67% | 0.674 | 76% | 0.758 | S | S | * | * | cis | -140.3 | 137.6 | 13.1 | -71.3 | -70.4 | 0 | 0 | 0 | 114.2 | ||||
| 1135 | N | 29.5 | Very low | 27 | Very low | 131 Ų | 131 | 129 Ų | 129 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | trans | 66.5 | 150.5 | 132.6 | -57.2 | 7.1 | 0 | 0 | 0 | 124.7 | ||||
| 1136 | D | 28.4 | Very low | 27.1 | Very low | 151 Ų | 151 | 132.6 Ų | 132.6 | 81% | 0.807 | 76% | 0.757 | S | S | * | * | trans | 70.2 | 77.2 | 159.6 | -56.6 | -8.7 | 0 | 0 | 0 | 120.7 | ||||
| 1137 | S | 31.6 | Very low | 27 | Very low | 103 Ų | 103 | 125.2 Ų | 125.2 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | trans | 178.5 | 132.1 | 130.9 | 37.9 | 0 | 0 | 0 | 0 | 112.8 | Q1139 | S1137-Q1139 PolarHBondContact O-N 3Š| ||
| 1138 | D | 27.6 | Very low | 27 | Very low | 171 Ų | 171 | 129.2 Ų | 129.2 | 91% | 0.914 | 75% | 0.748 | S | S | * | * | trans | -68.9 | 124.4 | -172.2 | -67.2 | -56.3 | 0 | 0 | 0 | 114.3 | ||||
| 1139 | Q | 29.1 | Very low | 27.3 | Very low | 123 Ų | 123 | 130 Ų | 130 | 58% | 0.575 | 75% | 0.747 | S | S | * | * | trans | -150.2 | 159.8 | 170.3 | -66.2 | -177.1 | 61.5 | 0 | 0 | 111.7 | S1137 | S1137-Q1139 PolarHBondContact O-N 3Š| ||
| 1140 | V | 25.6 | Very low | 27.3 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 74% | 0.739 | 75% | 0.746 | S | S | * | * | trans | 75.8 | 153.6 | 160.3 | -140.9 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1141 | M | 25.3 | Very low | 27.3 | Very low | 177 Ų | 177 | 128.2 Ų | 128.2 | 87% | 0.872 | 74% | 0.739 | S | S | * | * | trans | 85.8 | 141 | 163.4 | -53.4 | -54 | -87.4 | 0 | 0 | 118.5 | ||||
| 1142 | G | 24.9 | Very low | 27.1 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 74% | 0.737 | S | S | * | * | trans | 166.2 | -6.5 | -173 | 0 | 0 | 0 | 0 | 0 | 115.8 | V1144 | G1142-V1144 PolarHBondContact O-N 3.11Å; G1142-V1144 VanDerWaalsContact O-N 3.12Å | ||
| 1143 | I | 24.5 | Very low | 27.1 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | trans | -72.9 | 102.5 | 168.5 | -59.9 | 176.6 | 0 | 0 | 0 | 108.3 | ||||
| 1144 | V | 25.6 | Very low | 27 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 70% | 0.697 | 74% | 0.738 | S | S | * | * | trans | -128.8 | 98.5 | 168.6 | -179.5 | 0 | 0 | 0 | 0 | 108.7 | G1142 I1146 | G1142-V1144 PolarHBondContact O-N 3.11Å; G1142-V1144 VanDerWaalsContact O-N 3.12Å; V1144-I1146 HydrophobicContact CG1-CB 4.37Å; V1144-I1146 HydrophobicContact CG1-CD1 3.65Å; V1144-I1146 HydrophobicContact CG1-CG1 3.73Å | ||
| 1145 | N | 24.6 | Very low | 26.8 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | trans | -91.7 | 93.1 | 170.1 | -171.7 | 14.9 | 0 | 0 | 0 | 108.3 | ||||
| 1146 | I | 26.7 | Very low | 26.8 | Very low | 147 Ų | 147 | 136.1 Ų | 136.1 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | trans | -122.1 | 121.4 | 171.5 | -67.2 | 176.4 | 0 | 0 | 0 | 107.7 | V1144 | V1144-I1146 HydrophobicContact CG1-CB 4.37Å; V1144-I1146 HydrophobicContact CG1-CD1 3.65Å; V1144-I1146 HydrophobicContact CG1-CG1 3.73Å | ||
| 1147 | A | 25.3 | Very low | 27 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | trans | -103 | 140.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1148 | K | 25.7 | Very low | 27 | Very low | 200 Ų | 200 | 138.4 Ų | 138.4 | 87% | 0.87 | 73% | 0.731 | S | S | * | * | trans | 63.2 | -175.5 | 152.4 | -89.8 | -176.3 | 177.6 | -177.3 | 0 | 114.4 | ||||
| 1149 | P | 33 | Very low | 27.2 | Very low | 98 Ų | 98 | 138.4 Ų | 138.4 | 64% | 0.636 | 73% | 0.725 | S | S | * | * | cis | -127.3 | 176.2 | -5.2 | 12.8 | 13.5 | 0 | 0 | 0 | 115.5 | ||||
| 1150 | L | 25.4 | Very low | 27.3 | Very low | 147 Ų | 147 | 137.1 Ų | 137.1 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | 69.4 | 157.6 | 153.3 | -67.3 | 154.2 | 0 | 0 | 0 | 116.2 | ||||
| 1151 | D | 25.1 | Very low | 27.4 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 64% | 0.642 | 73% | 0.729 | S | S | * | * | cis | -153.7 | 178.5 | 6.1 | -141.9 | -30 | 0 | 0 | 0 | 113.5 | ||||
| 1152 | I | 25.4 | Very low | 27.6 | Very low | 139 Ų | 139 | 136.3 Ų | 136.3 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | trans | 67.5 | 104.8 | 154.7 | -66 | 155.9 | 0 | 0 | 0 | 114.3 | ||||
| 1153 | L | 26.9 | Very low | 27.8 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | cis | -149.4 | 141.1 | 46.4 | -75.2 | 165.2 | 0 | 0 | 0 | 114.2 | ||||
| 1154 | L | 27.2 | Very low | 28 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 67% | 0.665 | 70% | 0.698 | S | S | * | * | trans | 39.5 | 140.9 | 131.7 | -47.9 | -176 | 0 | 0 | 0 | 120.3 | ||||
| 1155 | R | 25.9 | Very low | 28.3 | Very low | 201 Ų | 201 | 135.7 Ų | 135.7 | 76% | 0.758 | 70% | 0.699 | S | S | * | * | cis | -168.7 | 152.3 | 1.2 | -103.2 | 172.1 | -168.3 | 170.3 | 5 | 104.1 | ||||
| 1156 | N | 29.3 | Very low | 28.4 | Very low | 110 Ų | 110 | 131.5 Ų | 131.5 | 59% | 0.588 | 68% | 0.681 | S | S | * | * | cis | -176.8 | 150.2 | 39.9 | -115.9 | 0.1 | 0 | 0 | 0 | 109.5 | ||||
| 1157 | H | 32.1 | Very low | 28.7 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 65% | 0.648 | 67% | 0.672 | S | S | * | * | trans | 51.6 | 142.9 | 153.4 | -47.6 | -51.2 | 0 | 0 | 0 | 121.5 | ||||
| 1158 | H | 32.1 | Very low | 28.8 | Very low | 162 Ų | 162 | 128.1 Ų | 128.1 | 75% | 0.75 | 66% | 0.658 | S | S | * | * | cis | -157.6 | 160.6 | -16.8 | -109.8 | -57.3 | 0 | 0 | 0 | 111.3 | ||||
| 1159 | H | 31 | Very low | 28.8 | Very low | 172 Ų | 172 | 123.8 Ų | 123.8 | 80% | 0.796 | 65% | 0.645 | S | S | * | * | trans | -58.1 | 175.8 | 171.8 | -83.2 | -100.2 | 0 | 0 | 0 | 116.1 | ||||
| 1160 | P | 32.1 | Very low | 28.7 | Very low | 96 Ų | 96 | 124.1 Ų | 124.1 | 62% | 0.623 | 64% | 0.637 | S | S | * | * | cis | -143.8 | -171.3 | -33.5 | 40.8 | -22.1 | 0 | 0 | 0 | 114.7 | ||||
| 1161 | L | 26.7 | Very low | 28.8 | Very low | 148 Ų | 148 | 120.8 Ų | 120.8 | 78% | 0.775 | 62% | 0.62 | S | S | * | * | trans | 18.5 | 141 | 138.2 | -59 | 166.6 | 0 | 0 | 0 | 119.2 | ||||
| 1162 | D | 30.6 | Very low | 28.9 | Very low | 134 Ų | 134 | 118.2 Ų | 118.2 | 72% | 0.717 | 61% | 0.607 | S | S | * | * | -166.1 | 166.7 | 51.8 | -127.3 | -23.5 | 0 | 0 | 0 | 115.4 | |||||
| 1163 | D | 29.2 | Very low | 29 | Very low | 95 Ų | 95 | 116.2 Ų | 116.2 | 51% | 0.508 | 60% | 0.597 | S | S | . | * | trans | 45.1 | 107.5 | 148.6 | -111.2 | 32.7 | 0 | 0 | 0 | 124.8 | R1539 | D1163-R1539 IonicContact OD1-CZ 2.73Å; D1163-R1539 IonicContact OD1-NE 3.78Å; D1163-R1539 IonicContact OD1-NH1 2.84Å; D1163-R1539 PolarHBondContact OD1-NH1 2.76Å; D1163-R1539 IonicContact OD1-NH2 2.76Å; D1163-R1539 IonicContact OD2-CZ 3.92Å; D1163-R1539 IonicContact OD2-NH1 3.64Å; D1163-R1539 PolarHBondContact OD2-NH1 2.96Å; D1163-R1539 IonicContact OD2-NH2 3Å; D1163-R1539 PolarHBondContact OD2-NH2 3.23Å | ||
| 1164 | S | 28.6 | Very low | 29.1 | Very low | 77 Ų | 77 | 116.7 Ų | 116.7 | 54% | 0.538 | 60% | 0.601 | S | S | . | * | 124.6 | 148.3 | 107.3 | 80.2 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 1165 | K | 31.4 | Very low | 29.3 | Very low | 162 Ų | 162 | 118.8 Ų | 118.8 | 70% | 0.704 | 61% | 0.611 | S | S | * | * | trans | 48 | 98.5 | 153.8 | -69.3 | 179.4 | 179.3 | 178.4 | 0 | 119.8 | ||||
| 1166 | S | 27.7 | Very low | 29.3 | Very low | 68 Ų | 68 | 120 Ų | 120 | 48% | 0.476 | 62% | 0.615 | S | S | . | * | -7.6 | 154 | 129.2 | 57.3 | 0 | 0 | 0 | 0 | 119.4 | C1538 | S1166-C1538 WeakPolarHBondContact OG-CB 3.4Š| |||
| 1167 | P | 32 | Very low | 29.2 | Very low | 86 Ų | 86 | 120.2 Ų | 120.2 | 56% | 0.558 | 62% | 0.623 | S | S | * | * | cis | -130.4 | 174.7 | -35.2 | 33.4 | -14.6 | 0 | 0 | 0 | 111.9 | ||||
| 1168 | I | 26.9 | Very low | 29 | Very low | 67 Ų | 67 | 124.3 Ų | 124.3 | 34% | 0.344 | 63% | 0.632 | S | S | . | * | trans | 47 | 132.9 | 154.1 | 65.9 | -176.6 | 0 | 0 | 0 | 122.1 | E1505 D1506 | I1168-E1505 CarbonylContact C-O 3.53Å; I1168-E1505 VanDerWaalsContact C-O 3.3Å; I1168-E1505 HydrophobicContact CB-CB 4.11Å; I1168-E1505 WeakPolarHBondContact CB-O 3.45Å; I1168-E1505 HydrophobicContact CD1-CB 4.26Å; I1168-E1505 HydrophobicContact CD1-CG 4.03Å; I1168-E1505 HydrophobicContact CG2-CB 4.08Å; I1168-D1506 VanDerWaalsContact CD1-O 3.27Å; I1168-D1506 WeakPolarHBondContact CD1-O 3.46Å | ||
| 1169 | N | 27 | Very low | 28.8 | Very low | 109 Ų | 109 | 122.1 Ų | 122.1 | 58% | 0.583 | 63% | 0.63 | S | S | * | * | trans | -150.6 | 155 | 158.3 | -175 | -123.9 | 0 | 0 | 0 | 108.6 | P1504 E1505 D1506 | N1169-P1504 VanDerWaalsContact O-CB 3.27Å; N1169-P1504 WeakPolarHBondContact O-CB 2.97Å; N1169-P1504 WeakPolarHBondContact O-CD 3.48Å; N1169-E1505 CarbonylContact C-O 3.52Å; N1169-E1505 WeakPolarHBondContact CA-O 3.4Å; N1169-E1505 PolarHBondContact N-O 3.13Å; N1169-E1505 PolarHBondContact O-N 3.39Å; N1169-D1506 VanDerWaalsContact ND2-CG 3.31Å; N1169-D1506 PolarHBondContact ND2-OD1 3.01Å; N1169-D1506 PolarHBondContact ND2-OD2 2.97Å | ||
| 1170 | H | 29.5 | Very low | 28.8 | Very low | 104 Ų | 104 | 123.2 Ų | 123.2 | 48% | 0.481 | 63% | 0.633 | S | S | . | * | trans | -77.7 | -163.5 | -172.6 | -112.6 | -70.3 | 0 | 0 | 0 | 116.6 | P1504 E1505 D1506 | H1170-P1504 PolarHBondContact CE1-O 3.49Å; H1170-P1504 PolarHBondContact ND1-O 2.86Å; H1170-P1504 VanDerWaalsContact ND1-O 3.12Å; H1170-E1505 PolarHBondContact N-O 2.93Å; H1170-D1506 IonicContact CD2-OD2 2.71Å; H1170-D1506 PolarHBondContact N-OD2 3.1Å | ||
| 1171 | N | 28.2 | Very low | 28.5 | Very low | 77 Ų | 77 | 129.2 Ų | 129.2 | 41% | 0.412 | 64% | 0.643 | S | S | . | * | trans | -47 | 140.9 | -162.4 | -52.9 | 6.4 | 0 | 0 | 0 | 120.1 | L1501 A1502 T1503 | N1171-L1501 PolarHBondContact ND2-O 3.26Å; N1171-A1502 HydrophobicContact CB-CB 4.14Å; N1171-A1502 VanDerWaalsContact CG-N 3.3Å; N1171-A1502 VanDerWaalsContact CG-O 3.29Å; N1171-A1502 PolarHBondContact ND2-N 3Å; N1171-A1502 PolarHBondContact ND2-O 3.1Å; N1171-A1502 PolarHBondContact OD1-O 3.45Å; N1171-T1503 VanDerWaalsContact CA-O 3.32Å; N1171-T1503 WeakPolarHBondContact CA-O 3.4Å; N1171-T1503 WeakPolarHBondContact OD1-CA 3.43Å; N1171-T1503 PolarHBondContact OD1-N 2.86Å | ||
| 1172 | N | 27.8 | Very low | 28.6 | Very low | 67 Ų | 67 | 130.4 Ų | 130.4 | 36% | 0.358 | 64% | 0.642 | S | S | . | * | 119.8 | 133.9 | 111.8 | -124.8 | -11.2 | 0 | 0 | 0 | 121.5 | P1500 L1501 A1502 | N1172-P1500 PolarHBondContact ND2-O 3.23Å; N1172-L1501 PolarHBondContact ND2-O 3.13Å; N1172-L1501 WeakPolarHBondContact OD1-CB 3.43Å; N1172-A1502 HydrophobicContact CB-CB 4.31Å; N1172-A1502 WeakPolarHBondContact OD1-CB 3.22Å | |||
| 1173 | N | 27.7 | Very low | 28.4 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 52% | 0.519 | 65% | 0.646 | S | S | . | * | trans | 66.5 | 158.8 | 147.9 | -74.7 | -39.3 | 0 | 0 | 0 | 123 | ||||
| 1174 | N | 29.2 | Very low | 28.3 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 81% | 0.813 | 66% | 0.656 | S | S | * | * | trans | 76.8 | 137.7 | 173.2 | -45.1 | -63.5 | 0 | 0 | 0 | 114.3 | ||||
| 1175 | I | 30.5 | Very low | 28.2 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 88% | 0.877 | 66% | 0.663 | S | S | * | * | cis | -133 | 162 | 31.8 | -74.2 | 165.6 | 0 | 0 | 0 | 112 | ||||
| 1176 | R | 24.9 | Very low | 27.9 | Very low | 227 Ų | 227 | 139.2 Ų | 139.2 | 86% | 0.857 | 67% | 0.672 | S | S | * | * | trans | -143 | 147.3 | -169.4 | -155.2 | -169.5 | -161.7 | -170.1 | 10 | 112.9 | ||||
| 1177 | P | 28.1 | Very low | 28 | Very low | 114 Ų | 114 | 139.3 Ų | 139.3 | 74% | 0.74 | 68% | 0.677 | S | S | * | * | trans | -111.8 | 143.4 | 138.2 | -9.6 | 29.6 | 0 | 0 | 0 | 111.1 | ||||
| 1178 | R | 28.3 | Very low | 27.8 | Very low | 226 Ų | 226 | 140.4 Ų | 140.4 | 85% | 0.853 | 68% | 0.682 | S | S | * | * | 60 | 128.4 | 53.9 | -80.9 | -172.3 | 169.7 | 173.4 | -1.9 | 113.6 | |||||
| 1179 | T | 27.3 | Very low | 27.8 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | cis | -174.3 | 167.1 | -19.9 | 4.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1180 | K | 31 | Very low | 27.9 | Very low | 196 Ų | 196 | 143.1 Ų | 143.1 | 85% | 0.852 | 70% | 0.704 | S | S | * | * | trans | 74.7 | 160 | 168.2 | -59.1 | 169 | -174.9 | 175.6 | 0 | 116.7 | ||||
| 1181 | R | 26.1 | Very low | 27.9 | Very low | 222 Ų | 222 | 145.6 Ų | 145.6 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | cis | -174.9 | 151.6 | -45.8 | -135.3 | 176.8 | 179.4 | 172.6 | -0.6 | 109.9 | ||||
| 1182 | K | 28.1 | Very low | 28 | Very low | 173 Ų | 173 | 145.6 Ų | 145.6 | 75% | 0.752 | 74% | 0.739 | S | S | * | * | trans | 71.8 | 135.4 | 159.9 | -65.7 | -179.3 | 175.4 | -177.4 | 0 | 118.8 | ||||
| 1183 | K | 26.8 | Very low | 28 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | 37.2 | 148.1 | 119.8 | -48.6 | -168.7 | 176.7 | -165.7 | 0 | 118.5 | |||||
| 1184 | L | 27 | Very low | 28.1 | Very low | 136 Ų | 136 | 144.1 Ų | 144.1 | 71% | 0.712 | 75% | 0.753 | S | S | * | * | cis | -157.8 | 161.7 | 33.2 | -168.1 | 65.2 | 0 | 0 | 0 | 113.4 | ||||
| 1185 | N | 25.9 | Very low | 28 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 69% | 0.69 | 73% | 0.73 | S | S | * | * | trans | -32.6 | 170.7 | 166.3 | -38.2 | -4.7 | 0 | 0 | 0 | 118.3 | ||||
| 1186 | K | 26.8 | Very low | 27.9 | Very low | 203 Ų | 203 | 141.6 Ų | 141.6 | 88% | 0.883 | 73% | 0.725 | S | S | * | * | trans | 84.8 | 144.2 | 158.5 | -69.9 | -161.1 | 172.3 | -170.1 | 0 | 116.8 | ||||
| 1187 | A | 28.2 | Very low | 28 | Very low | 71 Ų | 71 | 135.7 Ų | 135.7 | 59% | 0.587 | 72% | 0.715 | S | S | * | * | cis | -169.7 | -177.9 | -17.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1188 | T | 27.7 | Very low | 27.9 | Very low | 109 Ų | 109 | 134 Ų | 134 | 67% | 0.669 | 72% | 0.717 | S | S | * | * | trans | 64.7 | 118.7 | 141.1 | 42.9 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1189 | D | 28.3 | Very low | 27.8 | Very low | 146 Ų | 146 | 128.1 Ų | 128.1 | 78% | 0.781 | 71% | 0.706 | S | S | * | * | 81.5 | 142.6 | 122.2 | -57 | -2.9 | 0 | 0 | 0 | 119.9 | |||||
| 1190 | S | 28.5 | Very low | 27.9 | Very low | 86 Ų | 86 | 129.6 Ų | 129.6 | 60% | 0.601 | 71% | 0.705 | S | S | * | * | cis | -164.2 | 172.7 | -16.7 | 60.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1191 | D | 29.2 | Very low | 27.7 | Very low | 157 Ų | 157 | 127.5 Ų | 127.5 | 84% | 0.84 | 70% | 0.698 | S | S | * | * | trans | 60.8 | 167 | 150.2 | -51.5 | -39 | 0 | 0 | 0 | 120.9 | ||||
| 1192 | G | 30.7 | Very low | 27.6 | Very low | 76 Ų | 76 | 122.6 Ų | 122.6 | 78% | 0.784 | 69% | 0.693 | S | S | * | * | trans | 145.1 | 31.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 1193 | S | 28.6 | Very low | 27.5 | Very low | 60 Ų | 60 | 118.8 Ų | 118.8 | 42% | 0.42 | 69% | 0.688 | S | S | . | * | trans | -47.2 | 158.8 | 175.1 | 45.8 | 0 | 0 | 0 | 0 | 117.9 | Q925 | Q925-S1193 VanDerWaalsContact NE2-CB 3.33Å; Q925-S1193 PolarHBondContact NE2-OG 2.86Å; Q925-S1193 PolarHBondContact OE1-OG 3.36Å | ||
| 1194 | G | 29.3 | Very low | 27.3 | Very low | 74 Ų | 74 | 117.9 Ų | 117.9 | 76% | 0.763 | 69% | 0.691 | S | S | * | * | trans | -173.6 | 18.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1195 | E | 27.5 | Very low | 27.2 | Very low | 69 Ų | 69 | 116 Ų | 116 | 32% | 0.322 | 69% | 0.69 | S | S | . | * | trans | 10.8 | 142.5 | 154.6 | -65.4 | 178.7 | 124.5 | 0 | 0 | 124.9 | Q924 Q925 | Q924-E1195 VanDerWaalsContact CG-OE2 3.25Å; Q924-E1195 WeakPolarHBondContact CG-OE2 3.24Å; Q924-E1195 PolarHBondContact NE2-OE2 2.92Å; Q925-E1195 VanDerWaalsContact CG-CD 3.4Å; Q925-E1195 HydrophobicContact CG-CG 4.04Å; Q925-E1195 WeakPolarHBondContact CG-OE1 3.43Å; Q925-E1195 PolarHBondContact NE2-OE2 2.84Å | ||
| 1196 | Y | 26.8 | Very low | 27.1 | Very low | 200 Ų | 200 | 114.6 Ų | 114.6 | 78% | 0.784 | 69% | 0.69 | S | S | * | * | 75.5 | 156.6 | 129.2 | -83.3 | -130.8 | 0 | 0 | 0 | 121.3 | |||||
| 1197 | V | 26.9 | Very low | 27 | Very low | 104 Ų | 104 | 112.4 Ų | 112.4 | 63% | 0.63 | 68% | 0.682 | S | S | * | * | cis | -164.2 | 145.4 | -35.9 | 113.8 | 0 | 0 | 0 | 0 | 109.9 | V1199 | V1197-V1199 HydrophobicContact CG1-CG2 4.23Š| ||
| 1198 | G | 27.3 | Very low | 26.8 | Very low | 77 Ų | 77 | 117.5 Ų | 117.5 | 79% | 0.794 | 69% | 0.691 | S | S | * | * | trans | 61.8 | -159.1 | 159.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1199 | V | 26 | Very low | 26.6 | Very low | 104 Ų | 104 | 117.3 Ų | 117.3 | 63% | 0.63 | 69% | 0.694 | S | S | * | * | cis | -144.7 | 147.1 | 9.2 | 164.5 | 0 | 0 | 0 | 0 | 110.7 | V1197 | V1197-V1199 HydrophobicContact CG1-CG2 4.23Š| ||
| 1200 | H | 29 | Very low | 26.4 | Very low | 146 Ų | 146 | 118.9 Ų | 118.9 | 68% | 0.676 | 70% | 0.701 | S | S | * | * | trans | 71.9 | 125.8 | 164.3 | -73.6 | -10.5 | 0 | 0 | 0 | 117.8 | ||||
| 1201 | Q | 26.3 | Very low | 26.2 | Very low | 151 Ų | 151 | 117.5 Ų | 117.5 | 71% | 0.706 | 70% | 0.701 | S | S | * | * | 77.5 | 148.5 | 85 | -66.4 | 171.7 | -13.5 | 0 | 0 | 112.6 | |||||
| 1202 | T | 25.7 | Very low | 26 | Very low | 120 Ų | 120 | 117.4 Ų | 117.4 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | cis | -142.3 | 171 | 5.2 | -15.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1203 | S | 24 | Very low | 25.7 | Very low | 92 Ų | 92 | 123.7 Ų | 123.7 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | trans | -44.4 | 143.1 | 158.6 | 53.4 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1204 | L | 24.7 | Very low | 25.6 | Very low | 166 Ų | 166 | 128 Ų | 128 | 87% | 0.869 | 72% | 0.717 | S | S | * | * | -151.5 | 177.6 | 103.7 | -131.1 | 76.1 | 0 | 0 | 0 | 111.7 | |||||
| 1205 | S | 23.4 | Very low | 25.4 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 68% | 0.678 | 72% | 0.716 | S | S | * | * | trans | -85.4 | 172.7 | -172.7 | 52.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1206 | S | 23.4 | Very low | 25.2 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 69% | 0.692 | 74% | 0.74 | S | S | * | * | trans | 96 | 158.7 | 150 | 81.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 1207 | H | 25.1 | Very low | 25.1 | Very low | 156 Ų | 156 | 131.7 Ų | 131.7 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | trans | 60.8 | 103.1 | 171 | -66.2 | -80.3 | 0 | 0 | 0 | 121.6 | ||||
| 1208 | K | 23.5 | Very low | 25.1 | Very low | 179 Ų | 179 | 131.2 Ų | 131.2 | 78% | 0.778 | 74% | 0.739 | S | S | * | * | 38.8 | 117.9 | 116.2 | -71.9 | -174.5 | 177.4 | -180 | 0 | 119.7 | |||||
| 1209 | S | 23.7 | Very low | 25.1 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | trans | 40.4 | 102.7 | 133 | 63.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1210 | I | 24 | Very low | 25.2 | Very low | 179 Ų | 179 | 128.5 Ų | 128.5 | 92% | 0.918 | 72% | 0.719 | S | S | * | * | trans | -157.4 | 146.8 | 140 | -94.5 | 139.3 | 0 | 0 | 0 | 105.5 | ||||
| 1211 | G | 26.2 | Very low | 25 | Very low | 58 Ų | 58 | 129.1 Ų | 129.1 | 60% | 0.598 | 73% | 0.727 | S | S | * | * | cis | 137.4 | 44.8 | 2.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R1213 | G1211-R1213 VanDerWaalsContact C-N 3.28Å; G1211-R1213 PolarHBondContact O-N 3.36Å | ||
| 1212 | I | 25 | Very low | 24.9 | Very low | 155 Ų | 155 | 125.7 Ų | 125.7 | 80% | 0.795 | 72% | 0.719 | S | S | * | * | trans | -70.1 | 90 | 174.5 | -57.5 | -180 | 0 | 0 | 0 | 108.8 | D1214 | I1212-D1214 PolarHBondContact O-N 2.84Š| ||
| 1213 | R | 22.8 | Very low | 24.9 | Very low | 208 Ų | 208 | 121.6 Ų | 121.6 | 79% | 0.785 | 70% | 0.695 | S | S | * | * | trans | -69.1 | 106 | 151.8 | -73.4 | 173.5 | 166.3 | 169.8 | -4.8 | 106.8 | G1211 | G1211-R1213 VanDerWaalsContact C-N 3.28Å; G1211-R1213 PolarHBondContact O-N 3.36Å | ||
| 1214 | D | 27.3 | Very low | 25.1 | Very low | 151 Ų | 151 | 122.1 Ų | 122.1 | 81% | 0.807 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 127.4 | 154.9 | -83.8 | -26.9 | 0 | 0 | 0 | 107.8 | I1212 | I1212-D1214 PolarHBondContact O-N 2.84Š|
| 1215 | D | 25.6 | Very low | 25.2 | Very low | 139 Ų | 139 | 114.8 Ų | 114.8 | 74% | 0.743 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 164.1 | -146.5 | -85 | -53.9 | 0 | 0 | 0 | 119 | A1217 | D1215-A1217 PolarHBondContact O-N 3.38Š|
| 1216 | F | 23.2 | Very low | 25.3 | Very low | 186 Ų | 186 | 111.6 Ų | 111.6 | 82% | 0.816 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 121.7 | 169.2 | -73.6 | -104 | 0 | 0 | 0 | 113 | ||
| 1217 | A | 25.2 | Very low | 25.5 | Very low | 94 Ų | 94 | 112.5 Ų | 112.5 | 78% | 0.777 | 63% | 0.627 | S | S | * | * | trans | -119.8 | 111.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | D1215 G1219 | D1215-A1217 PolarHBondContact O-N 3.38Å; A1217-G1219 PolarHBondContact O-N 3.12Å | ||
| 1218 | P | 26.2 | Very low | 25.5 | Very low | 95 Ų | 95 | 108.8 Ų | 108.8 | 62% | 0.617 | 61% | 0.613 | S | S | * | * | trans | -85 | 112 | -163.4 | 30.3 | -35.1 | 0 | 0 | 0 | 115.4 | R1405 | P1218-R1405 PolarHBondContact O-NH1 2.88Å; P1218-R1405 PolarHBondContact O-NH2 2.87Å | ||
| 1219 | G | 26.5 | Very low | 25.7 | Very low | 56 Ų | 56 | 100.7 Ų | 100.7 | 58% | 0.577 | 58% | 0.58 | S | S | * | * | trans | 68.3 | 179.7 | 154 | 0 | 0 | 0 | 0 | 0 | 118.1 | A1217 R1405 | A1217-G1219 PolarHBondContact O-N 3.12Å; G1219-R1405 PolarHBondContact O-NH1 3.46Å | ||
| 1220 | P | 28.2 | Very low | 26.2 | Very low | 67 Ų | 67 | 98.7 Ų | 98.7 | 44% | 0.435 | 56% | 0.561 | S | S | . | * | cis | -111.7 | 161.5 | 6.3 | 38.2 | -25.8 | 0 | 0 | 0 | 113.9 | C1222 | P1220-C1222 PolarHBondContact O-N 3.41Š| ||
| 1221 | D | 24.5 | Very low | 26.4 | Very low | 160 Ų | 160 | 94.2 Ų | 94.2 | 86% | 0.856 | 54% | 0.544 | S | S | * | . | trans | 21.4 | 81.9 | 138.6 | -49.1 | -52 | 0 | 0 | 0 | 118.5 | ||||
| 1222 | C | 25.4 | Very low | 26.6 | Very low | 78 Ų | 78 | 96.4 Ų | 96.4 | 53% | 0.527 | 54% | 0.538 | S | S | . | . | trans | -135 | 92.2 | 151.3 | -160.3 | 0 | 0 | 0 | 0 | 108.7 | P1220 | P1220-C1222 PolarHBondContact O-N 3.41Š| ||
| 1223 | C | 25.5 | Very low | 26.7 | Very low | 34 Ų | 34 | 92 Ų | 92 | 23% | 0.23 | 52% | 0.518 | C | S | . | . | trans | -63.4 | 142.5 | 152 | -13.8 | 0 | 0 | 0 | 0 | 106.4 | I356 | I356-C1223 WeakPolarHBondContact CD1-O 3.43Å; I356-C1223 HydrophobicContact CG1-CB 3.78Å; I356-C1223 VanDerWaalsContact CG1-O 3.25Å; I356-C1223 WeakPolarHBondContact CG1-O 3.28Å | ||
| 1224 | L | 28.4 | Very low | 27.2 | Very low | 103 Ų | 103 | 84 Ų | 84 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | trans | -112.7 | 74.1 | 179.6 | -87.1 | 170.9 | 0 | 0 | 0 | 112 | ||||
| 1225 | T | 25.5 | Very low | 27.4 | Very low | 12 Ų | 12 | 78.8 Ų | 78.8 | 7% | 0.074 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -96.7 | 105.2 | 168.7 | 53.8 | 0 | 0 | 0 | 0 | 109 | A354 I356 E374 N375 | A354-T1225 HydrophobicContact CB-CG2 3.7Å; A354-T1225 VanDerWaalsContact CB-OG1 3.31Å; A354-T1225 WeakPolarHBondContact CB-OG1 3.45Å; I356-T1225 WeakPolarHBondContact CD1-OG1 3.15Å; I356-T1225 VanDerWaalsContact CG1-OG1 3.29Å; I356-T1225 WeakPolarHBondContact CG1-OG1 3.4Å; E374-T1225 WeakPolarHBondContact O-CG2 3.24Å; N375-T1225 HydrophobicContact CB-CG2 3.78Å |
| 1226 | G | 25.7 | Very low | 27.5 | Very low | 30 Ų | 30 | 79.5 Ų | 79.5 | 31% | 0.309 | 45% | 0.454 | S | S | . | . | S | Bend | trans | 88.4 | 160.6 | -166.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 1227 | H | 27.3 | Very low | 27.9 | Very low | 118 Ų | 118 | 72 Ų | 72 | 55% | 0.546 | 43% | 0.426 | S | S | . | . | trans | 63.2 | 47 | 175.6 | -47.7 | -62.1 | 0 | 0 | 0 | 117.8 | G1229 | H1227-G1229 PolarHBondContact O-N 3.21Š| ||
| 1228 | L | 27.1 | Very low | 28.2 | Very low | 78 Ų | 78 | 69.8 Ų | 69.8 | 41% | 0.408 | 40% | 0.401 | S | S | . | . | trans | -78.3 | 64.6 | 143.1 | -89.1 | 174.9 | 0 | 0 | 0 | 110.8 | M461 F491 | M461-L1228 HydrophobicContact CE-CD1 3.75Å; M461-L1228 HydrophobicContact SD-CD1 3.65Å; F491-L1228 HydrophobicContact CB-CD1 3.59Å; F491-L1228 HydrophobicContact CD1-CD1 3.8Å; F491-L1228 HydrophobicContact CG-CD1 3.79Å | ||
| 1229 | G | 27.6 | Very low | 28.5 | Very low | 9 Ų | 9 | 68 Ų | 68 | 9% | 0.093 | 39% | 0.388 | C | S | . | . | S | Bend | trans | -150.3 | 134 | 161.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | H1227 R1235 | H1227-G1229 PolarHBondContact O-N 3.21Å; G1229-R1235 PolarHBondContact O-NH1 3Å |
| 1230 | L | 33.1 | Very low | 28.8 | Very low | 62 Ų | 62 | 70.7 Ų | 70.7 | 33% | 0.325 | 39% | 0.39 | S | S | . | . | trans | -38.7 | 132.7 | -167.2 | -66 | 170.2 | 0 | 0 | 0 | 113.1 | Q537 V1234 R1235 N1238 | Q537-L1230 HydrophobicContact CG-CD1 4.07Å; L1230-V1234 HydrophobicContact CB-CB 4.17Å; L1230-V1234 HydrophobicContact CB-CG1 4.21Å; L1230-V1234 HydrophobicContact CD1-CG1 4.25Å; L1230-V1234 HydrophobicContact CD2-CG1 4.02Å; L1230-V1234 HydrophobicContact CG-CG1 4.39Å; L1230-R1235 HydrophobicContact CB-CG 4.48Å; L1230-R1235 PolarHBondContact O-NH1 3.43Å; L1230-N1238 VanDerWaalsContact CD1-ND2 3.33Å; L1230-N1238 WeakPolarHBondContact CD1-ND2 3.42Å | ||
| 1231 | P | 28.3 | Very low | 28.9 | Very low | 86 Ų | 86 | 71.9 Ų | 71.9 | 56% | 0.558 | 39% | 0.392 | S | S | * | . | trans | -50.3 | 150.3 | 179.2 | -27.7 | 34.1 | 0 | 0 | 0 | 111.4 | V1233 V1234 R1235 | P1231-V1233 PolarHBondContact O-N 3.28Å; P1231-V1234 HydrophobicContact CB-CG2 4.39Å; P1231-V1234 HydrophobicContact CG-CG2 4.46Å; P1231-V1234 CarbonylContact O-C 3.35Å; P1231-V1234 WeakPolarHBondContact O-CA 3.42Å; P1231-V1234 PolarHBondContact O-N 2.91Å; P1231-R1235 PolarHBondContact O-N 3.43Å | ||
| 1232 | E | 29.9 | Very low | 29.5 | Very low | 103 Ų | 103 | 68 Ų | 68 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -58.1 | -29.3 | -170.4 | -177.9 | 51.9 | -157 | 0 | 0 | 113.7 | R1235 R1236 | E1232-R1235 PolarHBondContact O-N 3.4Å; E1232-R1235 WeakPolarHBondContact OE2-CD 3.35Å; E1232-R1236 PolarHBondContact O-N 2.84Å; E1232-R1236 IonicContact OE1-CZ 3.23Å; E1232-R1236 IonicContact OE1-NE 2.67Å; E1232-R1236 IonicContact OE1-NH1 3.45Å; E1232-R1236 PolarHBondContact OE1-NH1 2.97Å |
| 1233 | V | 28.6 | Very low | 29.8 | Very low | 62 Ų | 62 | 69.5 Ų | 69.5 | 38% | 0.376 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 170.8 | -174.9 | 0 | 0 | 0 | 0 | 112.3 | L972 P1231 A1237 | L972-V1233 HydrophobicContact CD2-CB 4.46Å; L972-V1233 HydrophobicContact CD2-CG1 3.81Å; L972-V1233 HydrophobicContact CD2-CG2 3.71Å; L972-V1233 HydrophobicContact CG-CG1 4.32Å; P1231-V1233 PolarHBondContact O-N 3.28Å; V1233-A1237 WeakPolarHBondContact O-CB 3.13Å; V1233-A1237 PolarHBondContact O-N 3.32Å |
| 1234 | V | 32.7 | Very low | 29.9 | Very low | 40 Ų | 40 | 72.6 Ų | 72.6 | 24% | 0.242 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -83.9 | -29.5 | 179.3 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | L1230 P1231 A1237 N1238 | L1230-V1234 HydrophobicContact CB-CB 4.17Å; L1230-V1234 HydrophobicContact CB-CG1 4.21Å; L1230-V1234 HydrophobicContact CD1-CG1 4.25Å; L1230-V1234 HydrophobicContact CD2-CG1 4.02Å; L1230-V1234 HydrophobicContact CG-CG1 4.39Å; P1231-V1234 HydrophobicContact CB-CG2 4.39Å; P1231-V1234 HydrophobicContact CG-CG2 4.46Å; P1231-V1234 CarbonylContact O-C 3.35Å; P1231-V1234 WeakPolarHBondContact O-CA 3.42Å; P1231-V1234 PolarHBondContact O-N 2.91Å; V1234-A1237 PolarHBondContact O-N 3.26Å; V1234-N1238 WeakPolarHBondContact O-CB 3.47Å; V1234-N1238 PolarHBondContact O-N 3.36Å |
| 1235 | R | 30.3 | Very low | 29.8 | Very low | 42 Ų | 42 | 74 Ų | 74 | 16% | 0.158 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -58.5 | -53.4 | 165.1 | -95.8 | -178.2 | 162 | 88.7 | -3.2 | 111 | Q537 T539 N542 G1229 L1230 P1231 E1232 A1237 N1238 V1239 | Q537-R1235 PolarHBondContact O-NH2 2.86Å; T539-R1235 PolarHBondContact OG1-NH2 3.39Å; N542-R1235 PolarHBondContact ND2-NH2 3.26Å; G1229-R1235 PolarHBondContact O-NH1 3Å; L1230-R1235 HydrophobicContact CB-CG 4.48Å; L1230-R1235 PolarHBondContact O-NH1 3.43Å; P1231-R1235 PolarHBondContact O-N 3.43Å; E1232-R1235 PolarHBondContact O-N 3.4Å; E1232-R1235 WeakPolarHBondContact OE2-CD 3.35Å; R1235-A1237 PolarHBondContact O-N 2.98Å; R1235-N1238 PolarHBondContact O-N 3.01Å; R1235-V1239 WeakPolarHBondContact O-CG2 3.41Å; R1235-V1239 PolarHBondContact O-N 3.04Å |
| 1236 | R | 29.4 | Very low | 29.8 | Very low | 154 Ų | 154 | 80.6 Ų | 80.6 | 58% | 0.581 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -58.5 | -45.2 | 174.8 | -80.3 | 175.7 | 154.7 | 105.8 | -14.7 | 111.7 | E1232 N1238 V1239 D1240 | E1232-R1236 PolarHBondContact O-N 2.84Å; E1232-R1236 IonicContact OE1-CZ 3.23Å; E1232-R1236 IonicContact OE1-NE 2.67Å; E1232-R1236 IonicContact OE1-NH1 3.45Å; E1232-R1236 PolarHBondContact OE1-NH1 2.97Å; R1236-N1238 PolarHBondContact O-N 2.89Å; R1236-V1239 PolarHBondContact O-N 3.38Å; R1236-D1240 WeakPolarHBondContact O-CB 3.07Å; R1236-D1240 VanDerWaalsContact O-CG 3.27Å; R1236-D1240 PolarHBondContact O-N 3.37Å |
| 1237 | A | 30.1 | Very low | 29.9 | Very low | 29 Ų | 29 | 90.4 Ų | 90.4 | 24% | 0.24 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -59.4 | -40.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | V1233 V1234 R1235 L1241 | V1233-A1237 WeakPolarHBondContact O-CB 3.13Å; V1233-A1237 PolarHBondContact O-N 3.32Å; V1234-A1237 PolarHBondContact O-N 3.26Å; R1235-A1237 PolarHBondContact O-N 2.98Å; A1237-L1241 WeakPolarHBondContact O-CB 3.3Å; A1237-L1241 WeakPolarHBondContact O-CD1 3.49Å; A1237-L1241 WeakPolarHBondContact O-CG 3.44Å; A1237-L1241 PolarHBondContact O-N 2.96Å |
| 1238 | N | 31.8 | Very low | 30 | Very low | 47 Ų | 47 | 89.6 Ų | 89.6 | 25% | 0.251 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -73.1 | -35.9 | 176.4 | -86.2 | 7.1 | 0 | 0 | 0 | 112.8 | Q537 L1230 V1234 R1235 R1236 L1241 N1242 | Q537-N1238 PolarHBondContact NE2-ND2 2.9Å; L1230-N1238 VanDerWaalsContact CD1-ND2 3.33Å; L1230-N1238 WeakPolarHBondContact CD1-ND2 3.42Å; V1234-N1238 WeakPolarHBondContact O-CB 3.47Å; V1234-N1238 PolarHBondContact O-N 3.36Å; R1235-N1238 PolarHBondContact O-N 3.01Å; R1236-N1238 PolarHBondContact O-N 2.89Å; N1238-L1241 PolarHBondContact O-N 3.45Å; N1238-N1242 WeakPolarHBondContact O-CB 3.5Å; N1238-N1242 PolarHBondContact O-N 3.49Å; N1238-N1242 VanDerWaalsContact O-N 3.13Å |
| 1239 | V | 33.8 | Very low | 30 | Very low | 57 Ų | 57 | 95 Ų | 95 | 35% | 0.345 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.6 | -48.1 | 174.1 | 168.5 | 0 | 0 | 0 | 0 | 110.2 | R1235 R1236 L1241 N1242 T1243 | R1235-V1239 WeakPolarHBondContact O-CG2 3.41Å; R1235-V1239 PolarHBondContact O-N 3.04Å; R1236-V1239 PolarHBondContact O-N 3.38Å; V1239-L1241 VanDerWaalsContact C-N 3.3Å; V1239-L1241 PolarHBondContact O-N 3.18Å; V1239-N1242 PolarHBondContact O-N 3.09Å; V1239-T1243 WeakPolarHBondContact O-CG2 3.41Å; V1239-T1243 PolarHBondContact O-OG1 2.9Å |
| 1240 | D | 32.1 | Very low | 30.3 | Very low | 113 Ų | 113 | 98.6 Ų | 98.6 | 60% | 0.604 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -71.8 | -21.5 | -179.4 | -64 | -11.2 | 0 | 0 | 0 | 113.1 | R1236 | R1236-D1240 WeakPolarHBondContact O-CB 3.07Å; R1236-D1240 VanDerWaalsContact O-CG 3.27Å; R1236-D1240 PolarHBondContact O-N 3.37Å |
| 1241 | L | 31 | Very low | 30.3 | Very low | 92 Ų | 92 | 99.8 Ų | 99.8 | 48% | 0.482 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -85 | -24.4 | 175.2 | -79.1 | 169.7 | 0 | 0 | 0 | 113.9 | A1237 N1238 V1239 | A1237-L1241 WeakPolarHBondContact O-CB 3.3Å; A1237-L1241 WeakPolarHBondContact O-CD1 3.49Å; A1237-L1241 WeakPolarHBondContact O-CG 3.44Å; A1237-L1241 PolarHBondContact O-N 2.96Å; N1238-L1241 PolarHBondContact O-N 3.45Å; V1239-L1241 VanDerWaalsContact C-N 3.3Å; V1239-L1241 PolarHBondContact O-N 3.18Å |
| 1242 | N | 35.1 | Very low | 30.5 | Very low | 80 Ų | 80 | 101.7 Ų | 101.7 | 43% | 0.428 | 54% | 0.54 | S | S | . | . | S | Bend | trans | -90.2 | -2.5 | -178.7 | -74.7 | -2 | 0 | 0 | 0 | 113.7 | L565 N1238 V1239 | L565-N1242 HydrophobicContact CD1-CB 4.34Å; N1238-N1242 WeakPolarHBondContact O-CB 3.5Å; N1238-N1242 PolarHBondContact O-N 3.49Å; N1238-N1242 VanDerWaalsContact O-N 3.13Å; V1239-N1242 PolarHBondContact O-N 3.09Å |
| 1243 | T | 31.9 | Very low | 30.7 | Very low | 109 Ų | 109 | 100.1 Ų | 100.1 | 67% | 0.669 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -108.2 | 17.1 | -175.1 | 51.9 | 0 | 0 | 0 | 0 | 114.8 | V1239 | V1239-T1243 WeakPolarHBondContact O-CG2 3.41Å; V1239-T1243 PolarHBondContact O-OG1 2.9Å |
| 1244 | S | 27.4 | Very low | 31.2 | Very low | 99 Ų | 99 | 103.5 Ų | 103.5 | 69% | 0.692 | 55% | 0.552 | S | S | * | * | trans | -123.6 | 81.4 | -175.9 | 176.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1245 | T | 26.6 | Very low | 31.3 | Very low | 131 Ų | 131 | 105 Ų | 105 | 80% | 0.804 | 56% | 0.561 | S | S | * | * | trans | -71.6 | 136.6 | 166.1 | 45.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 1246 | I | 26.7 | Very low | 31.7 | Very low | 151 Ų | 151 | 106.8 Ų | 106.8 | 77% | 0.774 | 57% | 0.573 | S | S | * | * | trans | -169.7 | 119 | 152.5 | -104.8 | 149.5 | 0 | 0 | 0 | 111.7 | ||||
| 1247 | W | 27.2 | Very low | 32.2 | Very low | 236 Ų | 236 | 102.6 Ų | 102.6 | 89% | 0.894 | 56% | 0.562 | S | S | * | * | trans | 75.7 | 153.9 | 152.4 | -71.2 | 55 | 0 | 0 | 0 | 122.2 | ||||
| 1248 | P | 28.3 | Very low | 32.4 | Very low | 101 Ų | 101 | 107.1 Ų | 107.1 | 66% | 0.656 | 58% | 0.578 | S | S | * | * | trans | -125.4 | -165.5 | -161.3 | 43.4 | -25.2 | 0 | 0 | 0 | 114.2 | ||||
| 1249 | E | 28.1 | Very low | 32.5 | Very low | 191 Ų | 191 | 109.6 Ų | 109.6 | 89% | 0.893 | 59% | 0.589 | S | S | * | * | trans | 52.4 | 89.4 | 160.5 | -65.9 | -172 | -168.7 | 0 | 0 | 119.8 | ||||
| 1250 | S | 33.4 | Very low | 32.6 | Very low | 86 Ų | 86 | 111.5 Ų | 111.5 | 60% | 0.601 | 59% | 0.593 | S | S | * | * | trans | -144.8 | 148.5 | 146.7 | 65.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1251 | T | 34.3 | Very low | 32.9 | Very low | 86 Ų | 86 | 109.5 Ų | 109.5 | 53% | 0.528 | 59% | 0.588 | S | S | . | * | trans | -83.7 | 157.4 | -176.6 | 49.5 | 0 | 0 | 0 | 0 | 113.1 | S1253 H1254 | T1251-S1253 PolarHBondContact O-N 3.18Å; T1251-H1254 PolarHBondContact O-N 3.04Å; T1251-H1254 PolarHBondContact OG1-ND1 3.2Å | ||
| 1252 | I | 30.8 | Very low | 32.9 | Very low | 126 Ų | 126 | 110.8 Ų | 110.8 | 65% | 0.646 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.1 | -29.6 | -177.5 | -68.5 | 173.8 | 0 | 0 | 0 | 112.4 | V1255 I1256 | I1252-V1255 PolarHBondContact O-N 3.24Å; I1252-I1256 HydrophobicContact CG2-CD1 3.76Å; I1252-I1256 HydrophobicContact CG2-CG1 4.25Å; I1252-I1256 WeakPolarHBondContact O-CG1 3.43Å; I1252-I1256 PolarHBondContact O-N 2.88Å |
| 1253 | S | 35.4 | Very low | 32.6 | Very low | 70 Ų | 70 | 116.9 Ų | 116.9 | 49% | 0.49 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -58.7 | -50.3 | 174.7 | -152.3 | 0 | 0 | 0 | 0 | 111.6 | T1251 V1255 I1256 D1257 | T1251-S1253 PolarHBondContact O-N 3.18Å; S1253-V1255 PolarHBondContact O-N 3.1Å; S1253-V1255 VanDerWaalsContact O-N 3.12Å; S1253-I1256 CarbonylContact O-C 3.55Å; S1253-I1256 WeakPolarHBondContact O-CA 3.27Å; S1253-I1256 PolarHBondContact O-N 2.86Å; S1253-D1257 WeakPolarHBondContact O-CB 3.36Å; S1253-D1257 VanDerWaalsContact O-CG 3.31Å; S1253-D1257 PolarHBondContact O-N 2.73Å; S1253-D1257 PolarHBondContact OG-OD2 3.25Å |
| 1254 | H | 38.8 | Very low | 32.5 | Very low | 133 Ų | 133 | 117.8 Ų | 117.8 | 62% | 0.616 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -57.2 | -33.3 | 179.2 | -70.5 | 101.4 | 0 | 0 | 0 | 113.1 | T1251 H1258 | T1251-H1254 PolarHBondContact O-N 3.04Å; T1251-H1254 PolarHBondContact OG1-ND1 3.2Å; H1254-H1258 VanDerWaalsContact O-CB 3.29Å; H1254-H1258 WeakPolarHBondContact O-CB 3.42Å; H1254-H1258 PolarHBondContact O-N 2.71Å |
| 1255 | V | 35.4 | Very low | 32.5 | Very low | 72 Ų | 72 | 119.3 Ų | 119.3 | 44% | 0.436 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -71.5 | -42.7 | 175 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | I1252 S1253 M1259 | I1252-V1255 PolarHBondContact O-N 3.24Å; S1253-V1255 PolarHBondContact O-N 3.1Å; S1253-V1255 VanDerWaalsContact O-N 3.12Å; V1255-M1259 HydrophobicContact CG1-SD 4.38Å; V1255-M1259 WeakPolarHBondContact O-CB 3.25Å; V1255-M1259 VanDerWaalsContact O-CG 3.3Å; V1255-M1259 WeakPolarHBondContact O-CG 3.49Å; V1255-M1259 PolarHBondContact O-N 3.36Å |
| 1256 | I | 38.3 | Very low | 32.5 | Very low | 80 Ų | 80 | 121.4 Ų | 121.4 | 41% | 0.41 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -65.2 | -41.2 | 176.8 | -71.8 | 173.6 | 0 | 0 | 0 | 111 | I1252 S1253 M1259 K1260 | I1252-I1256 HydrophobicContact CG2-CD1 3.76Å; I1252-I1256 HydrophobicContact CG2-CG1 4.25Å; I1252-I1256 WeakPolarHBondContact O-CG1 3.43Å; I1252-I1256 PolarHBondContact O-N 2.88Å; S1253-I1256 CarbonylContact O-C 3.55Å; S1253-I1256 WeakPolarHBondContact O-CA 3.27Å; S1253-I1256 PolarHBondContact O-N 2.86Å; I1256-M1259 CarbonylContact O-C 3.57Å; I1256-M1259 PolarHBondContact O-N 2.86Å; I1256-K1260 HydrophobicContact CG2-CD 4.12Å; I1256-K1260 VanDerWaalsContact CG2-CE 3.45Å; I1256-K1260 WeakPolarHBondContact O-CG 3.28Å; I1256-K1260 PolarHBondContact O-N 2.78Å |
| 1257 | D | 38.6 | Very low | 32.5 | Very low | 66 Ų | 66 | 121.7 Ų | 121.7 | 35% | 0.353 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -78.8 | -30.8 | -175.1 | -58.3 | -42.8 | 0 | 0 | 0 | 111.7 | S1253 M1259 K1260 S1261 | S1253-D1257 WeakPolarHBondContact O-CB 3.36Å; S1253-D1257 VanDerWaalsContact O-CG 3.31Å; S1253-D1257 PolarHBondContact O-N 2.73Å; S1253-D1257 PolarHBondContact OG-OD2 3.25Å; D1257-M1259 VanDerWaalsContact C-N 3.34Å; D1257-K1260 PolarHBondContact O-N 2.67Å; D1257-K1260 IonicContact OD1-NZ 2.8Å; D1257-K1260 PolarHBondContact OD1-NZ 3.11Å; D1257-S1261 WeakPolarHBondContact O-CB 3.14Å; D1257-S1261 PolarHBondContact O-N 2.69Å; D1257-S1261 PolarHBondContact O-OG 2.87Å; D1257-S1261 VanDerWaalsContact O-OG 3.07Å |
| 1258 | H | 35.5 | Very low | 32.4 | Very low | 124 Ų | 124 | 113.6 Ų | 113.6 | 57% | 0.574 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -65.7 | -33.5 | 163.4 | -170.8 | -42.5 | 0 | 0 | 0 | 112.4 | H1254 K1260 S1261 | H1254-H1258 VanDerWaalsContact O-CB 3.29Å; H1254-H1258 WeakPolarHBondContact O-CB 3.42Å; H1254-H1258 PolarHBondContact O-N 2.71Å; H1258-K1260 VanDerWaalsContact C-N 3.32Å; H1258-S1261 PolarHBondContact O-OG 2.92Å |
| 1259 | M | 34 | Very low | 32.4 | Very low | 98 Ų | 98 | 115 Ų | 115 | 48% | 0.483 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -75.4 | -18.4 | 175 | -78.5 | -177.8 | 161.1 | 0 | 0 | 113.7 | V1255 I1256 D1257 | V1255-M1259 HydrophobicContact CG1-SD 4.38Å; V1255-M1259 WeakPolarHBondContact O-CB 3.25Å; V1255-M1259 VanDerWaalsContact O-CG 3.3Å; V1255-M1259 WeakPolarHBondContact O-CG 3.49Å; V1255-M1259 PolarHBondContact O-N 3.36Å; I1256-M1259 CarbonylContact O-C 3.57Å; I1256-M1259 PolarHBondContact O-N 2.86Å; D1257-M1259 VanDerWaalsContact C-N 3.34Å |
| 1260 | K | 36.3 | Very low | 32.2 | Very low | 98 Ų | 98 | 113.1 Ų | 113.1 | 43% | 0.426 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -88.2 | -35.1 | 173 | -71.4 | 164.7 | 179.8 | 167.8 | 0 | 113 | I1256 D1257 H1258 C1439 | I1256-K1260 HydrophobicContact CG2-CD 4.12Å; I1256-K1260 VanDerWaalsContact CG2-CE 3.45Å; I1256-K1260 WeakPolarHBondContact O-CG 3.28Å; I1256-K1260 PolarHBondContact O-N 2.78Å; D1257-K1260 PolarHBondContact O-N 2.67Å; D1257-K1260 IonicContact OD1-NZ 2.8Å; D1257-K1260 PolarHBondContact OD1-NZ 3.11Å; H1258-K1260 VanDerWaalsContact C-N 3.32Å; K1260-C1439 PolarHBondContact NZ-SG 3.31Å; K1260-C1439 VanDerWaalsContact NZ-SG 3.41Å |
| 1261 | S | 38.2 | Very low | 31.8 | Very low | 70 Ų | 70 | 113.9 Ų | 113.9 | 49% | 0.49 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -76.2 | -19.5 | -175.5 | 56.8 | 0 | 0 | 0 | 0 | 114.4 | D1257 H1258 | D1257-S1261 WeakPolarHBondContact O-CB 3.14Å; D1257-S1261 PolarHBondContact O-N 2.69Å; D1257-S1261 PolarHBondContact O-OG 2.87Å; D1257-S1261 VanDerWaalsContact O-OG 3.07Å; H1258-S1261 PolarHBondContact O-OG 2.92Å |
| 1262 | N | 30 | Very low | 31.3 | Very low | 119 Ų | 119 | 118.3 Ų | 118.3 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | trans | -113.3 | 77.9 | 176.7 | -86.7 | -61.4 | 0 | 0 | 0 | 112.6 | ||||
| 1263 | R | 29.3 | Very low | 31 | Very low | 209 Ų | 209 | 120.3 Ų | 120.3 | 79% | 0.789 | 63% | 0.625 | S | S | * | * | trans | -127.5 | 100.4 | 160.4 | -86.6 | -169.2 | 173 | -164.3 | -0.3 | 109.8 | ||||
| 1264 | V | 29.2 | Very low | 30.5 | Very low | 127 Ų | 127 | 120.7 Ų | 120.7 | 77% | 0.77 | 63% | 0.633 | S | S | * | * | trans | -136.1 | 120.4 | 163.9 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1265 | N | 27.1 | Very low | 29.8 | Very low | 131 Ų | 131 | 119.9 Ų | 119.9 | 70% | 0.701 | 64% | 0.642 | S | S | * | * | trans | 24.3 | 125.6 | 155.3 | -51.8 | -8.5 | 0 | 0 | 0 | 120.4 | ||||
| 1266 | L | 27.7 | Very low | 29.3 | Very low | 176 Ų | 176 | 120.5 Ų | 120.5 | 92% | 0.921 | 65% | 0.65 | S | S | * | * | -156.2 | 96.1 | 119.2 | -109.2 | 166.7 | 0 | 0 | 0 | 109.3 | |||||
| 1267 | L | 26.2 | Very low | 28.8 | Very low | 156 Ų | 156 | 125 Ų | 125 | 82% | 0.817 | 67% | 0.668 | S | S | * | * | trans | -100.8 | 144.8 | 164.5 | -85.4 | 166.4 | 0 | 0 | 0 | 108 | ||||
| 1268 | G | 26.2 | Very low | 28.2 | Very low | 67 Ų | 67 | 127 Ų | 127 | 69% | 0.691 | 69% | 0.688 | S | S | * | * | trans | 44.2 | 114.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1269 | T | 26.7 | Very low | 27.8 | Very low | 130 Ų | 130 | 127.8 Ų | 127.8 | 80% | 0.798 | 69% | 0.692 | S | S | * | * | -163.9 | 112.9 | 123 | 7.7 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 1270 | D | 25.8 | Very low | 27.5 | Very low | 151 Ų | 151 | 128.1 Ų | 128.1 | 81% | 0.807 | 70% | 0.704 | S | S | * | * | trans | -71.8 | 172.9 | 146.2 | -71.6 | -67.7 | 0 | 0 | 0 | 108.8 | ||||
| 1271 | E | 24.9 | Very low | 27.1 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 48% | 0.481 | 72% | 0.717 | S | S | . | * | trans | 79.7 | 119.2 | 163.4 | -66.2 | -171.1 | 160.9 | 0 | 0 | 120.4 | S1427 | E1271-S1427 WeakPolarHBondContact OE1-CB 3.18Å; E1271-S1427 PolarHBondContact OE1-OG 2.84Å; E1271-S1427 PolarHBondContact OE2-OG 3.05Å | ||
| 1272 | Y | 24 | Very low | 26.4 | Very low | 178 Ų | 178 | 133 Ų | 133 | 70% | 0.698 | 73% | 0.732 | S | S | * | * | trans | 96 | 99.6 | 130.6 | -87.5 | -119.5 | 0 | 0 | 0 | 122.1 | ||||
| 1273 | F | 24.2 | Very low | 26.3 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 74% | 0.737 | 73% | 0.733 | S | S | * | * | 82.4 | 131.2 | 115.9 | -95.1 | -117.5 | 0 | 0 | 0 | 122.3 | |||||
| 1274 | A | 24.1 | Very low | 26.1 | Very low | 79 Ų | 79 | 131.4 Ų | 131.4 | 65% | 0.653 | 74% | 0.738 | S | S | * | * | trans | 81.6 | 150 | 137.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1275 | S | 24.3 | Very low | 26 | Very low | 115 Ų | 115 | 129.1 Ų | 129.1 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | 61.2 | 140.8 | 172 | 37.8 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1276 | S | 23.9 | Very low | 26 | Very low | 86 Ų | 86 | 132.9 Ų | 132.9 | 60% | 0.601 | 73% | 0.733 | S | S | * | * | cis | -166.9 | 175 | -15.3 | 36.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1277 | E | 28.1 | Very low | 26 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 81% | 0.808 | 72% | 0.716 | S | S | * | * | trans | 66.4 | 148.6 | 168.9 | -58.8 | 132.5 | -112.6 | 0 | 0 | 117.3 | ||||
| 1278 | S | 26.2 | Very low | 26.1 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | cis | -165.9 | 154 | -26.2 | 58.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1279 | E | 26.7 | Very low | 26.2 | Very low | 140 Ų | 140 | 131.8 Ų | 131.8 | 65% | 0.654 | 70% | 0.702 | S | S | * | * | cis | -113.7 | -96.5 | -4.8 | -154.7 | -108.4 | 90.5 | 0 | 0 | 110 | Q1281 | E1279-Q1281 VanDerWaalsContact OE1-CG 3.32Å; E1279-Q1281 WeakPolarHBondContact OE1-CG 3.4Å; E1279-Q1281 PolarHBondContact OE1-N 3.02Å; E1279-Q1281 WeakPolarHBondContact OE2-CG 3.34Å; E1279-Q1281 PolarHBondContact OE2-NE2 3.47Å | ||
| 1280 | S | 28.5 | Very low | 26.1 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 74% | 0.741 | 70% | 0.698 | S | S | * | * | cis | -145.5 | 84.8 | -14.7 | 63.5 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1281 | Q | 27.7 | Very low | 26.1 | Very low | 148 Ų | 148 | 130.8 Ų | 130.8 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | trans | 59.2 | 118 | 154.5 | -50.5 | -170.4 | -2.4 | 0 | 0 | 121 | E1279 | E1279-Q1281 VanDerWaalsContact OE1-CG 3.32Å; E1279-Q1281 WeakPolarHBondContact OE1-CG 3.4Å; E1279-Q1281 PolarHBondContact OE1-N 3.02Å; E1279-Q1281 WeakPolarHBondContact OE2-CG 3.34Å; E1279-Q1281 PolarHBondContact OE2-NE2 3.47Å | ||
| 1282 | C | 23.7 | Very low | 26.1 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | 63.5 | 146 | 131.8 | -66.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1283 | S | 28.2 | Very low | 26.5 | Very low | 93 Ų | 93 | 127.7 Ų | 127.7 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | cis | -169.6 | 136.6 | 0.1 | 36.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1284 | F | 26 | Very low | 26.5 | Very low | 203 Ų | 203 | 127.6 Ų | 127.6 | 89% | 0.89 | 71% | 0.714 | S | S | * | * | trans | 62.2 | 153.2 | 149.2 | -75.8 | -115.4 | 0 | 0 | 0 | 118.5 | ||||
| 1285 | S | 26.8 | Very low | 26.7 | Very low | 79 Ų | 79 | 130.5 Ų | 130.5 | 55% | 0.552 | 72% | 0.717 | S | S | * | * | cis | -174.8 | 141.4 | -18.9 | 50.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1286 | Y | 25.6 | Very low | 26.7 | Very low | 210 Ų | 210 | 130 Ų | 130 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | trans | 66.1 | 155.8 | 143.9 | -76.5 | -128.8 | 0 | 0 | 0 | 116.7 | ||||
| 1287 | D | 28.3 | Very low | 26.9 | Very low | 104 Ų | 104 | 130.2 Ų | 130.2 | 56% | 0.556 | 72% | 0.721 | S | S | * | * | cis | -154.5 | 174.2 | 1.4 | -141.6 | -5.9 | 0 | 0 | 0 | 115.2 | ||||
| 1288 | H | 29 | Very low | 26.9 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 59% | 0.593 | 72% | 0.722 | S | S | * | * | trans | 26.3 | 154.8 | 138.8 | -72 | 1.6 | 0 | 0 | 0 | 123.3 | ||||
| 1289 | K | 26.9 | Very low | 27.1 | Very low | 144 Ų | 144 | 133.3 Ų | 133.3 | 63% | 0.626 | 72% | 0.717 | S | S | * | * | cis | -172 | 146.3 | -6.9 | -112.4 | 170.8 | 177.8 | 154.9 | 0 | 111.8 | ||||
| 1290 | I | 24.6 | Very low | 27.2 | Very low | 138 Ų | 138 | 131.2 Ų | 131.2 | 71% | 0.708 | 72% | 0.718 | S | S | * | * | trans | 58.1 | 142.2 | 133.3 | -65.7 | 169.7 | 0 | 0 | 0 | 122.3 | ||||
| 1291 | C | 27.2 | Very low | 27.1 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | 87.9 | 121.2 | 159 | -85.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1292 | S | 24.1 | Very low | 27.1 | Very low | 112 Ų | 112 | 133.5 Ų | 133.5 | 78% | 0.783 | 71% | 0.713 | S | S | * | * | trans | -76.8 | -178.1 | 161.5 | -5.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1293 | P | 32.6 | Very low | 27.4 | Very low | 104 Ų | 104 | 136.3 Ų | 136.3 | 68% | 0.675 | 71% | 0.711 | S | S | * | * | cis | -132.5 | -164.3 | -8.9 | 35.3 | -14.8 | 0 | 0 | 0 | 113.5 | ||||
| 1294 | E | 23.8 | Very low | 27.4 | Very low | 167 Ų | 167 | 139 Ų | 139 | 78% | 0.78 | 72% | 0.715 | S | S | * | * | trans | 82 | 156.1 | 144.1 | -94.9 | 175.5 | -131.4 | 0 | 0 | 122.5 | ||||
| 1295 | I | 28.6 | Very low | 27.5 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 71% | 0.713 | 70% | 0.703 | S | S | * | * | trans | 69.7 | 88 | 159.5 | -62.1 | 155.3 | 0 | 0 | 0 | 118.8 | ||||
| 1296 | S | 25.1 | Very low | 27.8 | Very low | 104 Ų | 104 | 139 Ų | 139 | 73% | 0.727 | 71% | 0.713 | S | S | * | * | trans | 52.4 | 123.3 | 130.7 | 77.9 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 1297 | A | 27.2 | Very low | 28.1 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 76% | 0.76 | 71% | 0.707 | S | S | * | * | 79.4 | 152.6 | 123.5 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1298 | R | 28.6 | Very low | 28.3 | Very low | 222 Ų | 222 | 137 Ų | 137 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | trans | 81.9 | 119.7 | 158.4 | -75 | -166 | 162.6 | 122.6 | 1.2 | 121.9 | ||||
| 1299 | D | 29 | Very low | 28.5 | Very low | 124 Ų | 124 | 136 Ų | 136 | 66% | 0.663 | 72% | 0.715 | S | S | * | * | 72 | 77.1 | 120.2 | -51.8 | -20 | 0 | 0 | 0 | 122.6 | |||||
| 1300 | S | 28.8 | Very low | 28.7 | Very low | 96 Ų | 96 | 135.6 Ų | 135.6 | 67% | 0.671 | 72% | 0.719 | S | S | * | * | 84 | 156.8 | 109.7 | 84.5 | 0 | 0 | 0 | 0 | 123 | |||||
| 1301 | N | 28.3 | Very low | 29 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 61% | 0.61 | 72% | 0.715 | S | S | * | * | trans | 73.6 | 111 | 147.3 | -78.9 | -63.1 | 0 | 0 | 0 | 122.4 | ||||
| 1302 | R | 27.6 | Very low | 29.1 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 71% | 0.709 | 71% | 0.713 | S | S | * | * | trans | 73.8 | 158.1 | 137.1 | -62.9 | 171.1 | 174.4 | 176.9 | -3.4 | 115.4 | ||||
| 1303 | K | 28.4 | Very low | 29.4 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 78% | 0.783 | 71% | 0.706 | S | S | * | * | cis | -159.8 | 130.8 | 19.5 | -144.6 | 171.6 | 179 | -173.8 | 0 | 112.9 | ||||
| 1304 | M | 28.1 | Very low | 29.3 | Very low | 151 Ų | 151 | 140.2 Ų | 140.2 | 74% | 0.744 | 71% | 0.705 | S | S | * | * | trans | 52 | 137.2 | 135.2 | -78.6 | -177.3 | 148.4 | 0 | 0 | 126.3 | ||||
| 1305 | N | 29.8 | Very low | 29.6 | Very low | 116 Ų | 116 | 141 Ų | 141 | 62% | 0.62 | 71% | 0.706 | S | S | * | * | trans | 74.8 | 133 | 134.1 | -62.2 | 5.5 | 0 | 0 | 0 | 121.3 | ||||
| 1306 | H | 31.9 | Very low | 29.8 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | -164.7 | 151.8 | 85.1 | -118.1 | -84.7 | 0 | 0 | 0 | 115.8 | |||||
| 1307 | E | 32.2 | Very low | 30 | Very low | 153 Ų | 153 | 139.7 Ų | 139.7 | 72% | 0.715 | 70% | 0.703 | S | S | * | * | trans | 65.7 | 160.7 | 164.3 | -59.8 | -142.4 | -44.8 | 0 | 0 | 117.2 | ||||
| 1308 | N | 32.9 | Very low | 30.2 | Very low | 119 Ų | 119 | 144.1 Ų | 144.1 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | cis | -159.1 | -179.7 | -22.6 | -103.5 | -7.2 | 0 | 0 | 0 | 108 | ||||
| 1309 | T | 32.7 | Very low | 30.3 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 66% | 0.663 | 70% | 0.698 | S | S | * | * | cis | -148.6 | -167.8 | 10.7 | -18 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1310 | D | 32.1 | Very low | 30.4 | Very low | 134 Ų | 134 | 141.5 Ų | 141.5 | 72% | 0.717 | 71% | 0.709 | S | S | * | * | trans | 11.1 | 133.9 | 149.6 | -52.6 | -18.9 | 0 | 0 | 0 | 120.2 | ||||
| 1311 | L | 30.8 | Very low | 30.5 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 62% | 0.618 | 71% | 0.712 | S | S | * | * | cis | 177 | -179.4 | -26.7 | -104.5 | 163.2 | 0 | 0 | 0 | 105.1 | ||||
| 1312 | W | 29.5 | Very low | 30.6 | Very low | 205 Ų | 205 | 139.4 Ų | 139.4 | 78% | 0.777 | 71% | 0.708 | S | S | * | * | cis | -146.2 | 142.7 | 16.8 | -85.7 | 99.6 | 0 | 0 | 0 | 110.9 | ||||
| 1313 | I | 29.6 | Very low | 30.8 | Very low | 125 Ų | 125 | 135.3 Ų | 135.3 | 64% | 0.641 | 71% | 0.708 | S | S | * | * | trans | 43.5 | 132.5 | 132.1 | -91.9 | -173.6 | 0 | 0 | 0 | 121.3 | ||||
| 1314 | L | 31.2 | Very low | 30.9 | Very low | 124 Ų | 124 | 131.4 Ų | 131.4 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | cis | -151.5 | 139.9 | 14.9 | -103.6 | 165 | 0 | 0 | 0 | 112.6 | ||||
| 1315 | K | 29.8 | Very low | 31 | Very low | 184 Ų | 184 | 128.6 Ų | 128.6 | 80% | 0.8 | 71% | 0.71 | S | S | * | * | trans | 55.6 | 145 | 148.8 | -70.9 | 173.6 | -175.8 | 176.8 | 0 | 120.2 | ||||
| 1316 | S | 32.4 | Very low | 31.1 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 63% | 0.629 | 72% | 0.718 | S | S | * | * | cis | -159.9 | 126.1 | -3 | 31.8 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1317 | T | 29.5 | Very low | 30.9 | Very low | 125 Ų | 125 | 126 Ų | 126 | 77% | 0.767 | 72% | 0.715 | S | S | * | * | 57.1 | 136.4 | 84.1 | 66.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1318 | E | 31.6 | Very low | 31.2 | Very low | 186 Ų | 186 | 124 Ų | 124 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | cis | -132.4 | -162 | 28.2 | -69.3 | 176.4 | 169.5 | 0 | 0 | 114.9 | ||||
| 1319 | S | 30.5 | Very low | 31.2 | Very low | 87 Ų | 87 | 124.9 Ų | 124.9 | 61% | 0.608 | 73% | 0.725 | S | S | * | * | trans | -168.4 | 160 | -143 | 55.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1320 | F | 30.3 | Very low | 31.1 | Very low | 204 Ų | 204 | 127.5 Ų | 127.5 | 90% | 0.895 | 73% | 0.734 | S | S | * | * | trans | 67.5 | 167 | 168.9 | -52.9 | -72.4 | 0 | 0 | 0 | 115.7 | ||||
| 1321 | A | 32 | Very low | 31.2 | Very low | 89 Ų | 89 | 125.9 Ų | 125.9 | 74% | 0.736 | 73% | 0.731 | S | S | * | * | cis | -155.6 | 174 | 7 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1322 | S | 30.5 | Very low | 31.2 | Very low | 76 Ų | 76 | 128.1 Ų | 128.1 | 53% | 0.531 | 74% | 0.739 | S | S | . | * | cis | -172.5 | 155 | -36.4 | 61 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1323 | S | 31.6 | Very low | 31.2 | Very low | 102 Ų | 102 | 124.6 Ų | 124.6 | 71% | 0.713 | 74% | 0.735 | S | S | * | * | trans | 65.2 | 138.1 | 175.2 | 32 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1324 | A | 30.8 | Very low | 31.2 | Very low | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | cis | 77.5 | 131.7 | 36.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1325 | A | 30.2 | Very low | 31 | Very low | 91 Ų | 91 | 128.5 Ų | 128.5 | 75% | 0.752 | 75% | 0.752 | S | S | * | * | cis | -163.6 | -161.4 | -7.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1326 | V | 30.7 | Very low | 31.1 | Very low | 130 Ų | 130 | 129.9 Ų | 129.9 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | trans | 86.3 | 77.8 | 162.7 | -165.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1327 | S | 28.8 | Very low | 30.8 | Very low | 98 Ų | 98 | 131.6 Ų | 131.6 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | 1.3 | 175.4 | 118.1 | 62.3 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 1328 | P | 37.4 | Very low | 31 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | cis | -140.7 | 168.3 | -48 | 40 | -24.3 | 0 | 0 | 0 | 113.7 | ||||
| 1329 | T | 32.7 | Very low | 31 | Very low | 137 Ų | 137 | 130.8 Ų | 130.8 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -168.4 | 123.7 | 147.4 | 20.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1330 | N | 30.2 | Very low | 30.9 | Very low | 162 Ų | 162 | 131.2 Ų | 131.2 | 87% | 0.866 | 76% | 0.76 | S | S | * | * | trans | 53.3 | 163.3 | 140.1 | -92.9 | -0.5 | 0 | 0 | 0 | 123.2 | ||||
| 1331 | P | 34.3 | Very low | 31 | Very low | 100 Ų | 100 | 128.5 Ų | 128.5 | 65% | 0.649 | 75% | 0.754 | S | S | * | * | trans | -120.2 | 169.1 | -156.6 | 43.1 | -32.9 | 0 | 0 | 0 | 115 | ||||
| 1332 | Q | 32.3 | Very low | 30.8 | Very low | 166 Ų | 166 | 127.8 Ų | 127.8 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | -174.8 | 155.3 | 126.6 | -103.8 | 170.6 | 44.1 | 0 | 0 | 112.5 | |||||
| 1333 | N | 28.7 | Very low | 30.9 | Very low | 131 Ų | 131 | 132.3 Ų | 132.3 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 27.2 | 119.1 | 146.9 | -52.6 | -28.6 | 0 | 0 | 0 | 119.6 | ||||
| 1334 | L | 30.5 | Very low | 30.7 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 91% | 0.911 | 77% | 0.765 | S | S | * | * | -164.2 | 148.2 | 103.2 | -101.7 | 158.8 | 0 | 0 | 0 | 111.5 | |||||
| 1335 | Q | 26.4 | Very low | 30.9 | Very low | 156 Ų | 156 | 137.9 Ų | 137.9 | 73% | 0.729 | 76% | 0.761 | S | S | * | * | trans | -89.6 | 152.7 | 177.4 | -59.1 | 167.8 | -58.3 | 0 | 0 | 110.3 | ||||
| 1336 | F | 30.9 | Very low | 30.9 | Very low | 213 Ų | 213 | 141.8 Ų | 141.8 | 93% | 0.934 | 77% | 0.766 | S | S | * | * | trans | -147.6 | 127.7 | 138.2 | -101.2 | -71.7 | 0 | 0 | 0 | 110.7 | ||||
| 1337 | N | 26.9 | Very low | 30.6 | Very low | 127 Ų | 127 | 144 Ų | 144 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | trans | -102.7 | 137 | 177.6 | -79.5 | -19.7 | 0 | 0 | 0 | 110.8 | ||||
| 1338 | V | 32.8 | Very low | 30.7 | Very low | 136 Ų | 136 | 144 Ų | 144 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | trans | -144.5 | 111 | 149.3 | -167.2 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 1339 | H | 31.6 | Very low | 30.2 | Very low | 158 Ų | 158 | 143.7 Ų | 143.7 | 73% | 0.731 | 77% | 0.774 | S | S | * | * | 62 | 149.2 | 72.9 | -79.8 | -83 | 0 | 0 | 0 | 114.6 | |||||
| 1340 | S | 29.9 | Very low | 30.1 | Very low | 96 Ų | 96 | 145 Ų | 145 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | cis | 179.5 | 146.3 | -30.6 | 46.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1341 | D | 31.9 | Very low | 30.1 | Very low | 147 Ų | 147 | 142 Ų | 142 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | cis | -169 | 176.3 | -12.8 | 179.6 | -127.7 | 0 | 0 | 0 | 109.1 | ||||
| 1342 | S | 27.8 | Very low | 29.9 | Very low | 74 Ų | 74 | 144.4 Ų | 144.4 | 52% | 0.517 | 77% | 0.773 | S | S | . | * | trans | 98.1 | 159.3 | 140.8 | 87.8 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1343 | Q | 32.6 | Very low | 30.1 | Very low | 170 Ų | 170 | 141.3 Ų | 141.3 | 79% | 0.794 | 77% | 0.768 | S | S | * | * | trans | 79.8 | 81.2 | 150.7 | -73 | 173.1 | 75.2 | 0 | 0 | 122.7 | ||||
| 1344 | K | 27.5 | Very low | 30 | Very low | 207 Ų | 207 | 139.9 Ų | 139.9 | 90% | 0.9 | 77% | 0.768 | S | S | * | * | 62.4 | 161.1 | 111.4 | -84.4 | -162.9 | 171.6 | -174.6 | 0 | 122.8 | |||||
| 1345 | P | 35.2 | Very low | 29.8 | Very low | 112 Ų | 112 | 139 Ų | 139 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | trans | -115.6 | 179.2 | -161 | 44.3 | -35.1 | 0 | 0 | 0 | 115.3 | ||||
| 1346 | M | 29 | Very low | 29.8 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 85% | 0.852 | 76% | 0.764 | S | S | * | * | trans | -148.7 | 170.1 | 155.9 | -155.9 | 156.4 | -73.6 | 0 | 0 | 112.2 | ||||
| 1347 | E | 25 | Very low | 29.5 | Very low | 175 Ų | 175 | 131.1 Ų | 131.1 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -75 | 179.6 | -178.5 | -62.5 | 129.7 | 138.1 | 0 | 0 | 112.3 | ||||
| 1348 | A | 31.4 | Very low | 29.5 | Very low | 98 Ų | 98 | 131.3 Ų | 131.3 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | cis | -156.6 | 177.3 | 23.7 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1349 | S | 25.9 | Very low | 29.3 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | trans | -73.6 | 161 | 175.9 | 52.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1350 | I | 30.8 | Very low | 29.2 | Very low | 165 Ų | 165 | 130.5 Ų | 130.5 | 85% | 0.846 | 75% | 0.747 | S | S | * | * | trans | -166 | 158.4 | 134.8 | -101.5 | 151.6 | 0 | 0 | 0 | 112 | ||||
| 1351 | S | 31 | Very low | 29 | Very low | 98 Ų | 98 | 131.9 Ų | 131.9 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | trans | -40.8 | 137.1 | -168.6 | 54.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1352 | D | 29 | Very low | 28.8 | Very low | 152 Ų | 152 | 132.3 Ų | 132.3 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | 44.2 | 161.9 | 87.1 | -119.3 | 21.1 | 0 | 0 | 0 | 119.8 | |||||
| 1353 | P | 37.7 | Very low | 29 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | -134.8 | -175.7 | -107.3 | 40.9 | -21.9 | 0 | 0 | 0 | 115.6 | |||||
| 1354 | S | 26.2 | Very low | 28.7 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | trans | 148.2 | 161.7 | 139.4 | 62.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 1355 | L | 26.2 | Very low | 28.8 | Very low | 155 Ų | 155 | 133.2 Ų | 133.2 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | trans | 54.1 | 124.6 | 153.9 | -66.8 | 158.4 | 0 | 0 | 0 | 118 | ||||
| 1356 | C | 26.8 | Very low | 28.4 | Very low | 112 Ų | 112 | 138 Ų | 138 | 76% | 0.757 | 78% | 0.775 | S | S | * | * | -160.1 | 169.1 | 53.1 | -90.7 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 1357 | S | 25.4 | Very low | 28.4 | Very low | 92 Ų | 92 | 136.9 Ų | 136.9 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | trans | -38.2 | 169.3 | 145.3 | 8.3 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1358 | D | 26.5 | Very low | 28.4 | Very low | 132 Ų | 132 | 134.6 Ų | 134.6 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | cis | -165.3 | 164.3 | 7.2 | -121.4 | -28.6 | 0 | 0 | 0 | 114.3 | ||||
| 1359 | N | 27.4 | Very low | 28.2 | Very low | 126 Ų | 126 | 134.6 Ų | 134.6 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | trans | 63.2 | 151.3 | 144.9 | -75.9 | -52.3 | 0 | 0 | 0 | 125.1 | ||||
| 1360 | L | 29.2 | Very low | 28.1 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | trans | 62.7 | 142.8 | 158.7 | -64.5 | 141.3 | 0 | 0 | 0 | 118.6 | ||||
| 1361 | N | 27.1 | Very low | 28 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 67% | 0.674 | 77% | 0.771 | S | S | * | * | cis | 161.5 | 136 | -28.1 | -103.2 | -20.3 | 0 | 0 | 0 | 106.1 | ||||
| 1362 | N | 27.6 | Very low | 27.9 | Very low | 155 Ų | 155 | 140 Ų | 140 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | 63.7 | 138.2 | 172.5 | -51.3 | -34.1 | 0 | 0 | 0 | 114.6 | ||||
| 1363 | I | 31.2 | Very low | 27.8 | Very low | 167 Ų | 167 | 137.5 Ų | 137.5 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | cis | -139.7 | 166.1 | 41.7 | -77.9 | 170.4 | 0 | 0 | 0 | 111.2 | ||||
| 1364 | Q | 26.4 | Very low | 27.5 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 86% | 0.86 | 77% | 0.77 | S | S | * | * | trans | -81.7 | 142.6 | -169.7 | -57 | 157.5 | -30.1 | 0 | 0 | 114.6 | ||||
| 1365 | S | 29.7 | Very low | 28 | Very low | 119 Ų | 119 | 136.5 Ų | 136.5 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -169.5 | 126.7 | 135.6 | 32.9 | 0 | 0 | 0 | 0 | 115.3 | I1367 | S1365-I1367 PolarHBondContact O-N 2.66Š| ||
| 1366 | K | 26.4 | Very low | 28.6 | Very low | 214 Ų | 214 | 136.1 Ų | 136.1 | 93% | 0.93 | 76% | 0.757 | S | S | * | * | trans | -9.4 | 93.8 | 167.8 | -58.7 | 173.6 | 179.3 | 175.4 | 0 | 120 | ||||
| 1367 | I | 29.1 | Very low | 28.9 | Very low | 149 Ų | 149 | 138.9 Ų | 138.9 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | -142 | 139.3 | 144 | -57 | -177.9 | 0 | 0 | 0 | 108 | S1365 P1369 | S1365-I1367 PolarHBondContact O-N 2.66Å; I1367-P1369 VanDerWaalsContact O-CD 3.29Å; I1367-P1369 WeakPolarHBondContact O-CD 3.1Å | ||
| 1368 | P | 25.5 | Very low | 29.5 | Very low | 127 Ų | 127 | 137 Ų | 137 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | trans | -100.3 | 113.6 | 176.9 | 34.8 | -29 | 0 | 0 | 0 | 113.7 | ||||
| 1369 | P | 26.4 | Very low | 30.1 | Very low | 97 Ų | 97 | 137.5 Ų | 137.5 | 63% | 0.63 | 74% | 0.738 | S | S | * | * | trans | -118.9 | 169.2 | 163.6 | 38.6 | -30 | 0 | 0 | 0 | 114.2 | I1367 | I1367-P1369 VanDerWaalsContact O-CD 3.29Å; I1367-P1369 WeakPolarHBondContact O-CD 3.1Å | ||
| 1370 | L | 24.7 | Very low | 30.6 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 87% | 0.874 | 72% | 0.722 | S | S | * | * | trans | -44.9 | 141.1 | -174.1 | -66.1 | 62.3 | 0 | 0 | 0 | 115.4 | ||||
| 1371 | F | 28.2 | Very low | 30.7 | Very low | 203 Ų | 203 | 129.2 Ų | 129.2 | 89% | 0.89 | 70% | 0.699 | S | S | * | * | trans | -130.6 | 165.4 | 166.3 | -101 | -84.6 | 0 | 0 | 0 | 113.5 | ||||
| 1372 | S | 28.4 | Very low | 31 | Very low | 111 Ų | 111 | 125.3 Ų | 125.3 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | trans | -108.8 | -175.6 | -151.3 | 53.6 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1373 | S | 27.8 | Very low | 31.5 | Very low | 101 Ų | 101 | 121.8 Ų | 121.8 | 71% | 0.706 | 66% | 0.662 | S | S | * | * | trans | -83.1 | 139.6 | -158.3 | 53.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1374 | P | 30.6 | Very low | 31.7 | Very low | 98 Ų | 98 | 119 Ų | 119 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | trans | -94.8 | 118 | 172.3 | 33.6 | -31.4 | 0 | 0 | 0 | 114 | S1378 | P1374-S1378 PolarHBondContact O-OG 3.32Š| ||
| 1375 | S | 36.9 | Very low | 32.1 | Very low | 82 Ų | 82 | 117.8 Ų | 117.8 | 57% | 0.573 | 63% | 0.633 | S | S | * | * | trans | 44.4 | 134.4 | 150.4 | 73.3 | 0 | 0 | 0 | 0 | 121.9 | Q1377 S1378 | S1375-Q1377 PolarHBondContact O-N 3.28Å; S1375-S1378 PolarHBondContact O-N 3.09Å; S1375-S1378 VanDerWaalsContact O-N 3.16Å; S1375-S1378 PolarHBondContact O-OG 2.65Å | ||
| 1376 | H | 38.3 | Very low | 32.4 | Very low | 147 Ų | 147 | 121.1 Ų | 121.1 | 68% | 0.681 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60.1 | -22 | -176.5 | -126.6 | -75.6 | 0 | 0 | 0 | 116 | ||
| 1377 | Q | 35.2 | Very low | 33 | Very low | 169 Ų | 169 | 114.4 Ų | 114.4 | 79% | 0.79 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -80.2 | -30.8 | 179.1 | -75.1 | 174.3 | -34.1 | 0 | 0 | 112.9 | S1375 L1380 A1381 | S1375-Q1377 PolarHBondContact O-N 3.28Å; Q1377-L1380 PolarHBondContact O-N 3.06Å; Q1377-A1381 PolarHBondContact O-N 3.16Å |
| 1378 | S | 38 | Very low | 33.3 | Very low | 54 Ų | 54 | 111.5 Ų | 111.5 | 38% | 0.378 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.2 | -44.3 | 178.2 | 76 | 0 | 0 | 0 | 0 | 111 | P1374 S1375 L1380 A1381 A1382 | P1374-S1378 PolarHBondContact O-OG 3.32Å; S1375-S1378 PolarHBondContact O-N 3.09Å; S1375-S1378 VanDerWaalsContact O-N 3.16Å; S1375-S1378 PolarHBondContact O-OG 2.65Å; S1378-L1380 VanDerWaalsContact C-N 3.3Å; S1378-L1380 PolarHBondContact O-N 2.78Å; S1378-A1381 PolarHBondContact O-N 3.17Å; S1378-A1382 PolarHBondContact O-N 3.49Å |
| 1379 | R | 37.9 | Very low | 33.5 | Very low | 141 Ų | 141 | 111.9 Ų | 111.9 | 53% | 0.532 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.7 | -33.6 | 174.9 | -88.1 | 176 | 146.1 | 155.3 | -10.4 | 113 | E348 A1382 K1383 | E348-R1379 IonicContact OE1-CZ 2.77Å; E348-R1379 IonicContact OE1-NH2 3.92Å; E348-R1379 PolarHBondContact OE1-NH2 2.91Å; R1379-A1382 PolarHBondContact O-N 3.21Å; R1379-K1383 PolarHBondContact O-N 3.06Å |
| 1380 | L | 37.5 | Very low | 33.7 | Very low | 66 Ų | 66 | 111.6 Ų | 111.6 | 35% | 0.346 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.4 | -48.7 | 175.6 | -132.3 | 81.6 | 0 | 0 | 0 | 111 | Q1377 S1378 A1382 K1383 Q1384 | Q1377-L1380 PolarHBondContact O-N 3.06Å; S1378-L1380 VanDerWaalsContact C-N 3.3Å; S1378-L1380 PolarHBondContact O-N 2.78Å; L1380-A1382 VanDerWaalsContact C-N 3.29Å; L1380-A1382 PolarHBondContact O-N 2.98Å; L1380-K1383 PolarHBondContact O-N 2.94Å; L1380-Q1384 VanDerWaalsContact O-CB 3.3Å; L1380-Q1384 WeakPolarHBondContact O-CB 3.18Å; L1380-Q1384 WeakPolarHBondContact O-CG 3.42Å; L1380-Q1384 PolarHBondContact O-N 3.12Å |
| 1381 | A | 32.2 | Very low | 34.2 | Very low | 37 Ų | 37 | 108.3 Ų | 108.3 | 31% | 0.306 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.7 | -33.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1377 S1378 R1385 | Q1377-A1381 PolarHBondContact O-N 3.16Å; S1378-A1381 PolarHBondContact O-N 3.17Å; A1381-R1385 WeakPolarHBondContact O-CG 3.4Å; A1381-R1385 PolarHBondContact O-N 3.25Å |
| 1382 | A | 32.7 | Very low | 34.1 | Very low | 44 Ų | 44 | 107.8 Ų | 107.8 | 36% | 0.364 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.6 | -52.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1378 R1379 L1380 Q1384 R1385 F1386 | S1378-A1382 PolarHBondContact O-N 3.49Å; R1379-A1382 PolarHBondContact O-N 3.21Å; L1380-A1382 VanDerWaalsContact C-N 3.29Å; L1380-A1382 PolarHBondContact O-N 2.98Å; A1382-Q1384 VanDerWaalsContact C-N 3.27Å; A1382-Q1384 PolarHBondContact O-N 3.23Å; A1382-R1385 PolarHBondContact O-N 2.97Å; A1382-F1386 PolarHBondContact O-N 3.22Å; A1382-F1386 VanDerWaalsContact O-N 3.11Å |
| 1383 | K | 37.7 | Very low | 34.2 | Very low | 81 Ų | 81 | 108.2 Ų | 108.2 | 35% | 0.352 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -59.3 | -38.3 | 175.3 | -84.1 | -164.6 | 168.6 | -167.4 | 0 | 111.5 | E349 R1379 L1380 C1387 | E349-K1383 IonicContact OE2-NZ 2.68Å; E349-K1383 PolarHBondContact OE2-NZ 3.06Å; R1379-K1383 PolarHBondContact O-N 3.06Å; L1380-K1383 PolarHBondContact O-N 2.94Å; K1383-C1387 PolarHBondContact O-N 3.45Å |
| 1384 | Q | 36 | Very low | 34.3 | Very low | 107 Ų | 107 | 110.9 Ų | 110.9 | 50% | 0.5 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -62.4 | -45.5 | 175 | -76 | 170.4 | -20.2 | 0 | 0 | 112.4 | L1380 A1382 C1387 L1388 | L1380-Q1384 VanDerWaalsContact O-CB 3.3Å; L1380-Q1384 WeakPolarHBondContact O-CB 3.18Å; L1380-Q1384 WeakPolarHBondContact O-CG 3.42Å; L1380-Q1384 PolarHBondContact O-N 3.12Å; A1382-Q1384 VanDerWaalsContact C-N 3.27Å; A1382-Q1384 PolarHBondContact O-N 3.23Å; Q1384-C1387 PolarHBondContact O-N 3.4Å; Q1384-L1388 HydrophobicContact CB-CD1 4.44Å; Q1384-L1388 VanDerWaalsContact O-CB 3.25Å; Q1384-L1388 WeakPolarHBondContact O-CB 3.49Å; Q1384-L1388 WeakPolarHBondContact O-CD1 3.43Å; Q1384-L1388 WeakPolarHBondContact O-CG 3.28Å; Q1384-L1388 PolarHBondContact O-N 3.41Å |
| 1385 | R | 35.3 | Very low | 34.3 | Very low | 159 Ų | 159 | 112.9 Ų | 112.9 | 60% | 0.6 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.8 | -45.8 | 177.4 | -77.5 | 172.2 | 177.9 | 147.4 | 0.9 | 112.8 | A1381 A1382 C1387 L1388 E1389 | A1381-R1385 WeakPolarHBondContact O-CG 3.4Å; A1381-R1385 PolarHBondContact O-N 3.25Å; A1382-R1385 PolarHBondContact O-N 2.97Å; R1385-C1387 PolarHBondContact O-N 3.49Å; R1385-L1388 PolarHBondContact O-N 2.94Å; R1385-E1389 PolarHBondContact O-N 2.97Å |
| 1386 | F | 36 | Very low | 34.2 | Very low | 190 Ų | 190 | 114.1 Ų | 114.1 | 83% | 0.833 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.9 | -21.3 | -179 | -89.8 | -82.6 | 0 | 0 | 0 | 114.5 | A1382 | A1382-F1386 PolarHBondContact O-N 3.22Å; A1382-F1386 VanDerWaalsContact O-N 3.11Å |
| 1387 | C | 38.6 | Very low | 34 | Very low | 73 Ų | 73 | 110.5 Ų | 110.5 | 49% | 0.493 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.4 | -1.6 | 173.3 | -65.7 | 0 | 0 | 0 | 0 | 114.2 | K1383 Q1384 R1385 | K1383-C1387 PolarHBondContact O-N 3.45Å; Q1384-C1387 PolarHBondContact O-N 3.4Å; R1385-C1387 PolarHBondContact O-N 3.49Å |
| 1388 | L | 35.2 | Very low | 33.9 | Very low | 88 Ų | 88 | 106.6 Ų | 106.6 | 46% | 0.461 | 56% | 0.562 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -128.2 | -21.5 | -170.6 | -66 | 174.9 | 0 | 0 | 0 | 115.4 | Q1384 R1385 | Q1384-L1388 HydrophobicContact CB-CD1 4.44Å; Q1384-L1388 VanDerWaalsContact O-CB 3.25Å; Q1384-L1388 WeakPolarHBondContact O-CB 3.49Å; Q1384-L1388 WeakPolarHBondContact O-CD1 3.43Å; Q1384-L1388 WeakPolarHBondContact O-CG 3.28Å; Q1384-L1388 PolarHBondContact O-N 3.41Å; R1385-L1388 PolarHBondContact O-N 2.94Å |
| 1389 | E | 30 | Very low | 33.7 | Very low | 134 Ų | 134 | 110.7 Ų | 110.7 | 63% | 0.626 | 58% | 0.58 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 123.3 | 177.2 | -70.5 | -175 | -158.1 | 0 | 0 | 112.3 | R1385 | R1385-E1389 PolarHBondContact O-N 2.97Š|
| 1390 | P | 30.5 | Very low | 33.7 | Very low | 92 Ų | 92 | 113.7 Ų | 113.7 | 60% | 0.597 | 59% | 0.591 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 148.4 | 166 | 31.3 | -33.5 | 0 | 0 | 0 | 110.1 | K1392 | P1390-K1392 PolarHBondContact O-N 3.34Š|
| 1391 | P | 34.5 | Very low | 33.7 | Very low | 97 Ų | 97 | 115.2 Ų | 115.2 | 63% | 0.63 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 136.5 | 174.4 | 25.7 | -33.9 | 0 | 0 | 0 | 110.3 | ||
| 1392 | K | 27.8 | Very low | 33.9 | Very low | 193 Ų | 193 | 118.6 Ų | 118.6 | 84% | 0.839 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 132.9 | 175.1 | -69.7 | 179.9 | 179.6 | 176.5 | 0 | 109.1 | P1390 L1394 | P1390-K1392 PolarHBondContact O-N 3.34Å; K1392-L1394 PolarHBondContact O-N 3.49Å |
| 1393 | P | 29.8 | Very low | 33.9 | Very low | 120 Ų | 120 | 118.4 Ų | 118.4 | 78% | 0.779 | 61% | 0.609 | S | S | * | * | trans | -65.3 | 111.8 | -177.5 | 25.8 | -33.6 | 0 | 0 | 0 | 110.2 | T1395 | P1393-T1395 PolarHBondContact O-N 3.17Å; P1393-T1395 VanDerWaalsContact O-N 3.16Å | ||
| 1394 | L | 30.6 | Very low | 33.8 | Very low | 157 Ų | 157 | 117.5 Ų | 117.5 | 82% | 0.822 | 61% | 0.613 | S | S | * | * | trans | -63.8 | 111.6 | 164.2 | -95.8 | 157.4 | 0 | 0 | 0 | 108 | K1392 I1396 | K1392-L1394 PolarHBondContact O-N 3.49Å; L1394-I1396 VanDerWaalsContact C-N 3.27Å; L1394-I1396 HydrophobicContact CB-CG1 4.49Å; L1394-I1396 PolarHBondContact O-N 3.04Å | ||
| 1395 | T | 30.3 | Very low | 33.8 | Very low | 140 Ų | 140 | 116.5 Ų | 116.5 | 86% | 0.859 | 60% | 0.604 | S | S | * | * | trans | -71 | 83.8 | 173.3 | 45.9 | 0 | 0 | 0 | 0 | 109.7 | P1393 | P1393-T1395 PolarHBondContact O-N 3.17Å; P1393-T1395 VanDerWaalsContact O-N 3.16Å | ||
| 1396 | I | 33.7 | Very low | 33.9 | Very low | 107 Ų | 107 | 114.8 Ų | 114.8 | 55% | 0.549 | 61% | 0.607 | S | S | . | * | trans | -77.1 | 123.9 | 169.9 | -60.6 | 176.9 | 0 | 0 | 0 | 107.9 | L1394 P1398 F1401 | L1394-I1396 VanDerWaalsContact C-N 3.27Å; L1394-I1396 HydrophobicContact CB-CG1 4.49Å; L1394-I1396 PolarHBondContact O-N 3.04Å; I1396-P1398 WeakPolarHBondContact O-CD 3.44Å; I1396-F1401 HydrophobicContact CG2-CB 3.78Å; I1396-F1401 HydrophobicContact CG2-CD2 3.66Å; I1396-F1401 HydrophobicContact CG2-CG 3.92Å | ||
| 1397 | D | 34.7 | Very low | 33.9 | Very low | 71 Ų | 71 | 113.6 Ų | 113.6 | 38% | 0.38 | 60% | 0.604 | S | S | . | * | trans | -63.9 | 118.3 | 173.1 | 167.1 | 18.5 | 0 | 0 | 0 | 110.3 | L1399 R1400 F1401 | D1397-L1399 PolarHBondContact O-N 2.89Å; D1397-L1399 PolarHBondContact OD1-N 3.4Å; D1397-R1400 HydrophobicContact CB-CB 4.25Å; D1397-R1400 PolarHBondContact O-N 3.44Å; D1397-R1400 WeakPolarHBondContact OD2-CB 3.35Å; D1397-R1400 VanDerWaalsContact OD2-CG 3.31Å; D1397-R1400 WeakPolarHBondContact OD2-CG 3.37Å; D1397-R1400 PolarHBondContact OD2-N 3.4Å; D1397-F1401 WeakPolarHBondContact O-CB 3.49Å; D1397-F1401 PolarHBondContact O-N 3.09Å | ||
| 1398 | P | 33.5 | Very low | 33.6 | Very low | 87 Ų | 87 | 117.7 Ų | 117.7 | 57% | 0.565 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -58.9 | -32.4 | -179.8 | -24.7 | 35 | 0 | 0 | 0 | 113.8 | I1396 F1401 I1402 | I1396-P1398 WeakPolarHBondContact O-CD 3.44Å; P1398-F1401 PolarHBondContact O-N 2.97Å; P1398-I1402 WeakPolarHBondContact O-CB 3.33Å; P1398-I1402 WeakPolarHBondContact O-CD1 3.43Å; P1398-I1402 VanDerWaalsContact O-CG1 3.28Å; P1398-I1402 WeakPolarHBondContact O-CG1 3.23Å; P1398-I1402 PolarHBondContact O-N 3.34Å |
| 1399 | L | 34 | Very low | 33.2 | Very low | 141 Ų | 141 | 122.9 Ų | 122.9 | 74% | 0.738 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -73.9 | -41.9 | -176.9 | -64.3 | 174.7 | 0 | 0 | 0 | 111 | D1397 G1403 | D1397-L1399 PolarHBondContact O-N 2.89Å; D1397-L1399 PolarHBondContact OD1-N 3.4Å; L1399-G1403 PolarHBondContact O-N 3.45Å; L1399-G1403 VanDerWaalsContact O-N 3.13Å |
| 1400 | R | 37 | Very low | 33.1 | Very low | 204 Ų | 204 | 122.2 Ų | 122.2 | 77% | 0.77 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.2 | -36.3 | 170.2 | -82.5 | -179.2 | 165.5 | -154.3 | -5.1 | 113.3 | D1397 I1402 G1403 S1404 | D1397-R1400 HydrophobicContact CB-CB 4.25Å; D1397-R1400 PolarHBondContact O-N 3.44Å; D1397-R1400 WeakPolarHBondContact OD2-CB 3.35Å; D1397-R1400 VanDerWaalsContact OD2-CG 3.31Å; D1397-R1400 WeakPolarHBondContact OD2-CG 3.37Å; D1397-R1400 PolarHBondContact OD2-N 3.4Å; R1400-I1402 VanDerWaalsContact C-N 3.35Å; R1400-G1403 PolarHBondContact O-N 2.7Å; R1400-S1404 PolarHBondContact O-N 2.86Å; R1400-S1404 VanDerWaalsContact O-N 3.14Å; R1400-S1404 PolarHBondContact O-OG 2.95Å |
| 1401 | F | 37.6 | Very low | 33 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 43% | 0.43 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -70.9 | -28.1 | 180 | -164.4 | -106.8 | 0 | 0 | 0 | 113.6 | I1396 D1397 P1398 | I1396-F1401 HydrophobicContact CG2-CB 3.78Å; I1396-F1401 HydrophobicContact CG2-CD2 3.66Å; I1396-F1401 HydrophobicContact CG2-CG 3.92Å; D1397-F1401 WeakPolarHBondContact O-CB 3.49Å; D1397-F1401 PolarHBondContact O-N 3.09Å; P1398-F1401 PolarHBondContact O-N 2.97Å |
| 1402 | I | 35.6 | Very low | 32.7 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 55% | 0.554 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -80.7 | -28.9 | 172.3 | -67.9 | 167.5 | 0 | 0 | 0 | 111.2 | P1398 R1400 N1406 | P1398-I1402 WeakPolarHBondContact O-CB 3.33Å; P1398-I1402 WeakPolarHBondContact O-CD1 3.43Å; P1398-I1402 VanDerWaalsContact O-CG1 3.28Å; P1398-I1402 WeakPolarHBondContact O-CG1 3.23Å; P1398-I1402 PolarHBondContact O-N 3.34Å; R1400-I1402 VanDerWaalsContact C-N 3.35Å; I1402-N1406 PolarHBondContact O-ND2 2.99Å |
| 1403 | G | 34 | Very low | 32.7 | Very low | 40 Ų | 40 | 123.6 Ų | 123.6 | 41% | 0.412 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -66.1 | -53.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | L1399 R1400 R1405 N1406 | L1399-G1403 PolarHBondContact O-N 3.45Å; L1399-G1403 VanDerWaalsContact O-N 3.13Å; R1400-G1403 PolarHBondContact O-N 2.7Å; G1403-R1405 PolarHBondContact O-N 3.32Å; G1403-N1406 PolarHBondContact O-N 3.4Å |
| 1404 | S | 36.1 | Very low | 32.7 | Very low | 62 Ų | 62 | 121.4 Ų | 121.4 | 43% | 0.434 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -64.8 | -39.6 | -171.6 | 55.9 | 0 | 0 | 0 | 0 | 113.9 | R1400 N1406 Q1407 | R1400-S1404 PolarHBondContact O-N 2.86Å; R1400-S1404 VanDerWaalsContact O-N 3.14Å; R1400-S1404 PolarHBondContact O-OG 2.95Å; S1404-N1406 PolarHBondContact O-N 3.48Å; S1404-Q1407 PolarHBondContact O-N 3.28Å |
| 1405 | R | 35.9 | Very low | 32.6 | Very low | 85 Ų | 85 | 121.5 Ų | 121.5 | 32% | 0.321 | 64% | 0.639 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.6 | -1.6 | -175.3 | -55.5 | -157 | 73.5 | -117.3 | -9.7 | 114.8 | P1218 G1219 G1403 | P1218-R1405 PolarHBondContact O-NH1 2.88Å; P1218-R1405 PolarHBondContact O-NH2 2.87Å; G1219-R1405 PolarHBondContact O-NH1 3.46Å; G1403-R1405 PolarHBondContact O-N 3.32Å |
| 1406 | N | 36.9 | Very low | 32.6 | Very low | 123 Ų | 123 | 120.6 Ų | 120.6 | 66% | 0.658 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.3 | -4.6 | 171.3 | -75.4 | -63.3 | 0 | 0 | 0 | 113.3 | I1402 G1403 S1404 | I1402-N1406 PolarHBondContact O-ND2 2.99Å; G1403-N1406 PolarHBondContact O-N 3.4Å; S1404-N1406 PolarHBondContact O-N 3.48Å |
| 1407 | Q | 35.1 | Very low | 32.5 | Very low | 166 Ų | 166 | 122.8 Ų | 122.8 | 78% | 0.776 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -95.4 | -7.8 | 175.7 | -66.8 | -174.7 | -57.1 | 0 | 0 | 113.8 | S1404 R1409 | S1404-Q1407 PolarHBondContact O-N 3.28Å; Q1407-R1409 VanDerWaalsContact C-N 3.31Å; Q1407-R1409 PolarHBondContact O-N 3.27Å |
| 1408 | E | 32.6 | Very low | 32.3 | Very low | 159 Ų | 159 | 125 Ų | 125 | 74% | 0.743 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -94.2 | 30.4 | 177.1 | -63.1 | -178.6 | 143.2 | 0 | 0 | 113.1 | ||
| 1409 | R | 26 | Very low | 32.1 | Very low | 196 Ų | 196 | 126.3 Ų | 126.3 | 74% | 0.74 | 67% | 0.673 | S | S | * | * | trans | -105 | 149.2 | 160 | -90 | -178.8 | 160.5 | -178.9 | -7.3 | 108.5 | Q1407 | Q1407-R1409 VanDerWaalsContact C-N 3.31Å; Q1407-R1409 PolarHBondContact O-N 3.27Å | ||
| 1410 | T | 28.5 | Very low | 32 | Very low | 120 Ų | 120 | 129.1 Ų | 129.1 | 74% | 0.736 | 68% | 0.682 | S | S | * | * | trans | 96 | 145.6 | 179.7 | -38.7 | 0 | 0 | 0 | 0 | 114 | ||||
| 1411 | L | 28.7 | Very low | 31.6 | Very low | 161 Ų | 161 | 124 Ų | 124 | 84% | 0.843 | 68% | 0.683 | S | S | * | * | trans | 69.9 | 95.4 | -171.8 | -52 | 171.5 | 0 | 0 | 0 | 113.3 | ||||
| 1412 | I | 27.5 | Very low | 31 | Very low | 139 Ų | 139 | 125.8 Ų | 125.8 | 71% | 0.713 | 70% | 0.702 | S | S | * | * | cis | 86.8 | 131.4 | 18.5 | -54.1 | 172.7 | 0 | 0 | 0 | 115.3 | ||||
| 1413 | C | 28.3 | Very low | 30.6 | Very low | 111 Ų | 111 | 128.8 Ų | 128.8 | 75% | 0.75 | 71% | 0.714 | S | S | * | * | trans | 67.7 | 154.2 | 176.7 | -74.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1414 | A | 30.1 | Very low | 30.1 | Very low | 74 Ų | 74 | 131.3 Ų | 131.3 | 61% | 0.612 | 72% | 0.723 | S | S | * | * | S | Bend | cis | -164.4 | 153.6 | -3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 1415 | L | 29.1 | Very low | 29.5 | Very low | 160 Ų | 160 | 135 Ų | 135 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | cis | -132.6 | 177.5 | -6.9 | -68.1 | 99.1 | 0 | 0 | 0 | 109.4 | ||||
| 1416 | D | 29.8 | Very low | 29.1 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 65% | 0.647 | 76% | 0.759 | S | S | * | * | -166.9 | -114.8 | -53.2 | -81.6 | -37.5 | 0 | 0 | 0 | 105.2 | |||||
| 1417 | D | 31.6 | Very low | 28.5 | Very low | 152 Ų | 152 | 136.9 Ų | 136.9 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | 65.1 | 150.7 | 173 | -119.2 | -32.5 | 0 | 0 | 0 | 115.9 | ||||
| 1418 | C | 30.6 | Very low | 28.2 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | cis | -125 | 167.8 | -5.8 | -52.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1419 | S | 29.1 | Very low | 27.8 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 74% | 0.741 | S | S | * | * | trans | -126.2 | 127 | -171.5 | 61.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1420 | E | 31.1 | Very low | 27.8 | Very low | 199 Ų | 199 | 129 Ų | 129 | 93% | 0.93 | 74% | 0.74 | S | S | * | * | trans | 177.1 | 138.2 | 148.1 | -104.8 | 176.8 | -154.4 | 0 | 0 | 107.7 | ||||
| 1421 | A | 29.7 | Very low | 27.6 | Very low | 97 Ų | 97 | 128.8 Ų | 128.8 | 80% | 0.802 | 74% | 0.743 | S | S | * | * | cis | -150.2 | 160.8 | -24.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 1422 | V | 24.8 | Very low | 27.4 | Very low | 135 Ų | 135 | 126.9 Ų | 126.9 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -115.1 | 142.4 | -177.6 | 173.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1423 | E | 26.1 | Very low | 27.5 | Very low | 171 Ų | 171 | 124.5 Ų | 124.5 | 80% | 0.799 | 74% | 0.74 | S | S | * | * | trans | -159.6 | 146.2 | 143.9 | -99.3 | -67.4 | 97.7 | 0 | 0 | 108.5 | ||||
| 1424 | P | 24.2 | Very low | 27.5 | Very low | 94 Ų | 94 | 126.3 Ų | 126.3 | 61% | 0.61 | 74% | 0.742 | S | S | * | * | trans | -102.4 | 179.7 | -177.6 | 40.2 | -34.8 | 0 | 0 | 0 | 112.8 | ||||
| 1425 | I | 24.8 | Very low | 27.2 | Very low | 138 Ų | 138 | 127.9 Ų | 127.9 | 71% | 0.708 | 74% | 0.744 | S | S | * | * | trans | -175.6 | 119.7 | 135.4 | -98.8 | 153.6 | 0 | 0 | 0 | 113.6 | ||||
| 1426 | K | 26.5 | Very low | 27 | Very low | 186 Ų | 186 | 129.3 Ų | 129.3 | 81% | 0.809 | 74% | 0.738 | S | S | * | * | trans | 47.3 | 136.6 | 140.7 | -50.3 | 171.9 | -173.7 | 171.2 | 0 | 122.4 | ||||
| 1427 | S | 24.7 | Very low | 27.1 | Very low | 62 Ų | 62 | 127.9 Ų | 127.9 | 43% | 0.434 | 74% | 0.735 | S | S | . | * | trans | -66.2 | -177.6 | 156.8 | 67.4 | 0 | 0 | 0 | 0 | 111.7 | E1271 | E1271-S1427 WeakPolarHBondContact OE1-CB 3.18Å; E1271-S1427 PolarHBondContact OE1-OG 2.84Å; E1271-S1427 PolarHBondContact OE2-OG 3.05Å | ||
| 1428 | P | 27.7 | Very low | 26.8 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | -158.1 | 157.7 | 71.5 | 45.9 | -24.9 | 0 | 0 | 0 | 119.3 | |||||
| 1429 | V | 25.5 | Very low | 26.4 | Very low | 108 Ų | 108 | 125 Ų | 125 | 66% | 0.655 | 72% | 0.715 | S | S | * | * | 70.5 | 122 | 126.7 | 166 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 1430 | I | 24.5 | Very low | 26.2 | Very low | 141 Ų | 141 | 126.3 Ų | 126.3 | 72% | 0.723 | 71% | 0.713 | S | S | * | * | trans | 59.6 | 119 | 141 | -64 | 175.7 | 0 | 0 | 0 | 121.3 | ||||
| 1431 | S | 25.9 | Very low | 25.8 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 80% | 0.804 | 70% | 0.703 | S | S | * | * | -178.2 | 162.7 | 97.2 | -158.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1432 | T | 24.3 | Very low | 25.6 | Very low | 121 Ų | 121 | 122.1 Ų | 122.1 | 74% | 0.742 | 70% | 0.7 | S | S | * | * | trans | -124.5 | 135 | -177.5 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1433 | A | 28.9 | Very low | 25.6 | Very low | 89 Ų | 89 | 123.7 Ų | 123.7 | 74% | 0.736 | 70% | 0.698 | S | S | * | * | trans | -151.7 | 134.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1434 | N | 28.5 | Very low | 25.4 | Very low | 148 Ų | 148 | 122.1 Ų | 122.1 | 79% | 0.791 | 70% | 0.695 | S | S | * | * | trans | 34.2 | 127.5 | 146.9 | -50.8 | -21.6 | 0 | 0 | 0 | 120.7 | ||||
| 1435 | V | 24.2 | Very low | 25.4 | Very low | 108 Ų | 108 | 126 Ų | 126 | 66% | 0.655 | 70% | 0.702 | S | S | * | * | cis | 104.5 | 106.8 | 29 | 170.3 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1436 | W | 24.9 | Very low | 25.4 | Very low | 190 Ų | 190 | 124.3 Ų | 124.3 | 72% | 0.72 | 70% | 0.702 | S | S | * | * | trans | 72.1 | 173.4 | 145.9 | -88.5 | 38.4 | 0 | 0 | 0 | 120.5 | ||||
| 1437 | P | 30.9 | Very low | 25.3 | Very low | 90 Ų | 90 | 121.2 Ų | 121.2 | 58% | 0.584 | 70% | 0.699 | S | S | * | * | cis | -142.1 | -161.5 | -35.1 | 34 | -11.7 | 0 | 0 | 0 | 115.4 | ||||
| 1438 | I | 26 | Very low | 25.4 | Very low | 145 Ų | 145 | 125.5 Ų | 125.5 | 74% | 0.744 | 72% | 0.717 | S | S | * | * | trans | 72 | 137.4 | 160.5 | -26.2 | -166.9 | 0 | 0 | 0 | 116.7 | ||||
| 1439 | C | 22.1 | Very low | 25.2 | Very low | 66 Ų | 66 | 126.8 Ų | 126.8 | 45% | 0.446 | 72% | 0.717 | S | S | . | * | cis | 102.7 | 152.8 | 11.5 | -69 | 0 | 0 | 0 | 0 | 118.4 | K1260 | K1260-C1439 PolarHBondContact NZ-SG 3.31Å; K1260-C1439 VanDerWaalsContact NZ-SG 3.41Å | ||
| 1440 | N | 25.3 | Very low | 25.2 | Very low | 141 Ų | 141 | 127.3 Ų | 127.3 | 75% | 0.754 | 72% | 0.723 | S | S | * | * | trans | 67.7 | 158.6 | 168.2 | -64 | 4.4 | 0 | 0 | 0 | 117.9 | ||||
| 1441 | T | 23.2 | Very low | 25.1 | Very low | 120 Ų | 120 | 125.4 Ų | 125.4 | 74% | 0.736 | 72% | 0.722 | S | S | * | * | cis | -172.5 | 150.3 | -49.2 | 33.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1442 | A | 23.8 | Very low | 25.1 | Very low | 88 Ų | 88 | 127.9 Ų | 127.9 | 73% | 0.727 | 72% | 0.718 | S | S | * | * | trans | 73.3 | 163.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1443 | E | 25.5 | Very low | 25 | Very low | 169 Ų | 169 | 128.5 Ų | 128.5 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | 64.5 | 122.9 | 166.1 | -65.1 | -176.2 | -152.8 | 0 | 0 | 118.4 | ||||
| 1444 | L | 22.8 | Very low | 24.8 | Very low | 138 Ų | 138 | 131 Ų | 131 | 72% | 0.723 | 72% | 0.722 | S | S | * | * | 70.1 | 82.9 | 64 | -77.2 | 172.9 | 0 | 0 | 0 | 114.6 | |||||
| 1445 | K | 23.9 | Very low | 24.6 | Very low | 176 Ų | 176 | 134 Ų | 134 | 77% | 0.765 | 72% | 0.724 | S | S | * | * | 171.1 | 166 | 98.8 | -91.5 | 152.4 | -171.5 | 156.5 | 0 | 115 | |||||
| 1446 | S | 24.5 | Very low | 24.6 | Very low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | trans | 61.5 | 114.6 | 145.5 | 55 | 0 | 0 | 0 | 0 | 121 | ||||
| 1447 | V | 23.7 | Very low | 24.6 | Very low | 121 Ų | 121 | 134.3 Ų | 134.3 | 73% | 0.733 | 73% | 0.726 | S | S | * | * | 52.4 | 109 | 120.4 | -176.6 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 1448 | D | 27 | Very low | 24.4 | Very low | 152 Ų | 152 | 138.3 Ų | 138.3 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | -152.1 | 152.7 | 101.9 | -109.9 | -38.5 | 0 | 0 | 0 | 112.4 | |||||
| 1449 | L | 23.3 | Very low | 24.3 | Very low | 136 Ų | 136 | 136.3 Ų | 136.3 | 71% | 0.712 | 73% | 0.732 | S | S | * | * | trans | -89.5 | 160.4 | 169 | -87.3 | 75.9 | 0 | 0 | 0 | 109.6 | ||||
| 1450 | P | 25.8 | Very low | 24.4 | Very low | 119 Ų | 119 | 140.5 Ų | 140.5 | 77% | 0.773 | 75% | 0.748 | S | S | * | * | trans | -121.7 | 93 | 135 | 34 | -28.6 | 0 | 0 | 0 | 111.4 | K1452 | P1450-K1452 VanDerWaalsContact C-N 3.29Å; P1450-K1452 PolarHBondContact O-N 2.99Å | ||
| 1451 | S | 22.9 | Very low | 24.4 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | trans | -72.6 | 87.7 | 155.7 | 42.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1452 | K | 25.4 | Very low | 24.7 | Very low | 167 Ų | 167 | 137 Ų | 137 | 73% | 0.726 | 73% | 0.729 | S | S | * | * | trans | -136.3 | 124.3 | 161.7 | -77.4 | -172.9 | 177.6 | -178.2 | 0 | 106 | P1450 | P1450-K1452 VanDerWaalsContact C-N 3.29Å; P1450-K1452 PolarHBondContact O-N 2.99Å | ||
| 1453 | V | 23.1 | Very low | 25.1 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 82% | 0.818 | 72% | 0.722 | S | S | * | * | cis | 49.5 | 78 | 30.6 | -168.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1454 | L | 23.9 | Very low | 25.3 | Very low | 142 Ų | 142 | 137.8 Ų | 137.8 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | trans | -163.3 | 119.5 | 137.4 | -102.5 | 160.6 | 0 | 0 | 0 | 108.2 | ||||
| 1455 | Y | 23.8 | Very low | 25.6 | Very low | 211 Ų | 211 | 134.7 Ų | 134.7 | 83% | 0.827 | 73% | 0.727 | S | S | * | * | trans | -61.3 | 141.1 | 145.5 | -87.1 | -120.8 | 0 | 0 | 0 | 106.7 | ||||
| 1456 | E | 24.6 | Very low | 25.8 | Very low | 170 Ų | 170 | 131.8 Ų | 131.8 | 79% | 0.794 | 73% | 0.727 | S | S | * | * | -175.4 | 119.3 | 112.5 | -99.3 | 167.2 | -174.8 | 0 | 0 | 111.2 | |||||
| 1457 | E | 26.1 | Very low | 26 | Very low | 133 Ų | 133 | 132.2 Ų | 132.2 | 62% | 0.621 | 73% | 0.725 | S | S | * | * | 29.2 | 119.3 | 124.9 | -63.8 | -164.6 | 154.2 | 0 | 0 | 120.6 | L1459 | E1457-L1459 HydrophobicContact CB-CD1 3.8Å; E1457-L1459 HydrophobicContact CB-CG 3.88Å; E1457-L1459 HydrophobicContact CG-CG 4.46Å; E1457-L1459 WeakPolarHBondContact OE2-CD1 3.47Å | |||
| 1458 | L | 24.8 | Very low | 26.3 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 92% | 0.916 | 73% | 0.729 | S | S | * | * | -124.4 | 94.3 | 120.5 | -70.9 | 176.5 | 0 | 0 | 0 | 107 | |||||
| 1459 | L | 25.7 | Very low | 26.4 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 54% | 0.539 | 73% | 0.726 | S | S | . | * | 54.2 | 93.2 | 77.6 | -73.6 | 153.8 | 0 | 0 | 0 | 114.1 | E1457 | E1457-L1459 HydrophobicContact CB-CD1 3.8Å; E1457-L1459 HydrophobicContact CB-CG 3.88Å; E1457-L1459 HydrophobicContact CG-CG 4.46Å; E1457-L1459 WeakPolarHBondContact OE2-CD1 3.47Å | |||
| 1460 | I | 23.9 | Very low | 26.5 | Very low | 154 Ų | 154 | 130.7 Ų | 130.7 | 79% | 0.79 | 73% | 0.725 | S | S | * | * | -129.2 | 100.1 | 114.8 | -64.2 | -168.6 | 0 | 0 | 0 | 109.4 | |||||
| 1461 | Q | 25.2 | Very low | 26.5 | Very low | 96 Ų | 96 | 129 Ų | 129 | 45% | 0.449 | 72% | 0.717 | S | S | . | * | trans | 54 | 100.5 | 142.4 | -63.3 | 168.5 | 21.5 | 0 | 0 | 117.8 | ||||
| 1462 | S | 28.6 | Very low | 26.6 | Very low | 91 Ų | 91 | 131.4 Ų | 131.4 | 64% | 0.636 | 72% | 0.721 | S | S | * | * | 78.3 | 166.7 | 66.8 | 78.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 1463 | P | 31.8 | Very low | 26.7 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 59% | 0.591 | 73% | 0.725 | S | S | * | * | cis | -132.9 | -176.8 | 2 | 45.1 | -29.4 | 0 | 0 | 0 | 113.4 | ||||
| 1464 | H | 30.9 | Very low | 26.8 | Very low | 182 Ų | 182 | 133.6 Ų | 133.6 | 84% | 0.843 | 72% | 0.718 | S | S | * | * | cis | -127.3 | 148.9 | -3.8 | -65.4 | -90.7 | 0 | 0 | 0 | 107.7 | ||||
| 1465 | G | 29.3 | Very low | 26.8 | Very low | 74 Ų | 74 | 133.2 Ų | 133.2 | 76% | 0.763 | 72% | 0.717 | S | S | * | * | 97 | 137.3 | 80.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1466 | C | 28.1 | Very low | 26.8 | Very low | 114 Ų | 114 | 128 Ų | 128 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | cis | -155.4 | 140.5 | 6.5 | -118 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1467 | T | 28.1 | Very low | 26.8 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | 33.4 | 148.2 | 129.4 | 65.2 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 1468 | K | 29.4 | Very low | 26.7 | Very low | 188 Ų | 188 | 129.8 Ų | 129.8 | 82% | 0.817 | 72% | 0.715 | S | S | * | * | cis | -169 | 157.1 | 10.2 | -124.2 | 167.4 | -175.3 | 179.3 | 0 | 111.6 | ||||
| 1469 | A | 29.1 | Very low | 26.7 | Very low | 89 Ų | 89 | 128.5 Ų | 128.5 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | trans | 36.7 | 160.6 | 134.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 1470 | S | 26.1 | Very low | 26.7 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | cis | -174.9 | 169.2 | -29.5 | 60.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1471 | S | 26.5 | Very low | 26.9 | Very low | 84 Ų | 84 | 128.7 Ų | 128.7 | 59% | 0.587 | 72% | 0.716 | S | S | * | * | trans | 56.2 | 109.9 | 145.2 | 59.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1472 | D | 25.1 | Very low | 27 | Very low | 149 Ų | 149 | 129.2 Ų | 129.2 | 80% | 0.797 | 73% | 0.73 | S | S | * | * | 75 | 166.8 | 122.8 | -50.5 | -27.2 | 0 | 0 | 0 | 122.9 | |||||
| 1473 | Y | 27.6 | Very low | 27 | Very low | 203 Ų | 203 | 128 Ų | 128 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | trans | 80 | 102.1 | 176.2 | -77.4 | -89.2 | 0 | 0 | 0 | 120.5 | ||||
| 1474 | E | 23.2 | Very low | 27 | Very low | 146 Ų | 146 | 131.6 Ų | 131.6 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | 27.8 | 140.7 | 120.3 | -63 | -160.6 | 156.2 | 0 | 0 | 122.7 | |||||
| 1475 | N | 24.7 | Very low | 26.9 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | trans | 68.9 | 166.5 | 140.6 | -72.6 | -39.5 | 0 | 0 | 0 | 118.8 | ||||
| 1476 | S | 25 | Very low | 27 | Very low | 101 Ų | 101 | 136.5 Ų | 136.5 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 70.3 | 115.3 | 174.7 | -6.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1477 | I | 23.6 | Very low | 27.1 | Very low | 142 Ų | 142 | 133.8 Ų | 133.8 | 73% | 0.728 | 74% | 0.742 | S | S | * | * | 77 | 105.5 | 62 | -68.7 | 166.3 | 0 | 0 | 0 | 111.6 | |||||
| 1478 | Y | 24.1 | Very low | 27.1 | Very low | 198 Ų | 198 | 131.8 Ų | 131.8 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | trans | 64.5 | 159.7 | 147.4 | -69.5 | -141.7 | 0 | 0 | 0 | 114.6 | ||||
| 1479 | E | 24.9 | Very low | 27.2 | Very low | 149 Ų | 149 | 129.5 Ų | 129.5 | 70% | 0.696 | 74% | 0.741 | S | S | * | * | cis | -160.1 | 166.7 | -5 | -126.3 | 167 | 171 | 0 | 0 | 106.9 | ||||
| 1480 | S | 26.2 | Very low | 27.3 | Very low | 104 Ų | 104 | 130.9 Ų | 130.9 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | 59.9 | 160.1 | 161.1 | 63 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1481 | D | 26.4 | Very low | 27.3 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | cis | -162.7 | 163.8 | -21.4 | -102.8 | -20.1 | 0 | 0 | 0 | 105.6 | ||||
| 1482 | S | 28.2 | Very low | 27.4 | Very low | 107 Ų | 107 | 133.8 Ų | 133.8 | 75% | 0.748 | 74% | 0.739 | S | S | * | * | cis | -163.1 | 152.7 | 3.2 | 47.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1483 | G | 28.5 | Very low | 27.5 | Very low | 66 Ų | 66 | 135.5 Ų | 135.5 | 68% | 0.68 | 74% | 0.736 | S | S | * | * | trans | 80.9 | 134.1 | 156 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1484 | D | 31.4 | Very low | 27.5 | Very low | 165 Ų | 165 | 131.5 Ų | 131.5 | 88% | 0.882 | 73% | 0.733 | S | S | * | * | cis | -145.8 | 138.1 | -6.1 | -94.4 | -39.6 | 0 | 0 | 0 | 112.4 | ||||
| 1485 | W | 29 | Very low | 27.6 | Very low | 231 Ų | 231 | 132.9 Ų | 132.9 | 88% | 0.875 | 74% | 0.736 | S | S | * | * | trans | -88.6 | -171.4 | 161.2 | -79.8 | 79.6 | 0 | 0 | 0 | 108 | ||||
| 1486 | P | 32.7 | Very low | 27.7 | Very low | 129 Ų | 129 | 132 Ų | 132 | 84% | 0.838 | 73% | 0.731 | S | S | * | * | cis | -132 | -176.7 | 7.8 | 40 | -20 | 0 | 0 | 0 | 114.5 | ||||
| 1487 | G | 29.1 | Very low | 27.7 | Very low | 56 Ų | 56 | 135.7 Ų | 135.7 | 58% | 0.577 | 74% | 0.737 | S | S | * | * | cis | 156.1 | 178.4 | -10.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1488 | G | 29 | Very low | 27.9 | Very low | 68 Ų | 68 | 132.6 Ų | 132.6 | 70% | 0.701 | 74% | 0.741 | S | S | * | * | trans | 79.4 | 137.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1489 | D | 31.9 | Very low | 28 | Very low | 141 Ų | 141 | 129.8 Ų | 129.8 | 75% | 0.754 | 74% | 0.744 | S | S | * | * | cis | -161.5 | 178.9 | -7.6 | -118.2 | -82.2 | 0 | 0 | 0 | 106.8 | ||||
| 1490 | T | 30.3 | Very low | 28.3 | Very low | 118 Ų | 118 | 126.6 Ų | 126.6 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | cis | -146.5 | 158.8 | 16.9 | -12.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1491 | C | 25.7 | Very low | 28.2 | Very low | 88 Ų | 88 | 127.4 Ų | 127.4 | 60% | 0.595 | 73% | 0.731 | S | S | * | * | trans | -1.3 | 145.3 | 138.1 | -75.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1492 | K | 28.2 | Very low | 28.3 | Very low | 158 Ų | 158 | 121.8 Ų | 121.8 | 69% | 0.687 | 71% | 0.707 | S | S | * | * | cis | -166.2 | 154.6 | 22.6 | -118.5 | 157.8 | -167.9 | 168.4 | 0 | 113.6 | ||||
| 1493 | Y | 28.7 | Very low | 28.5 | Very low | 185 Ų | 185 | 121.4 Ų | 121.4 | 73% | 0.725 | 70% | 0.7 | S | S | * | * | trans | 54.6 | 111.8 | 151.6 | -63.5 | -42.9 | 0 | 0 | 0 | 119.6 | ||||
| 1494 | T | 26 | Very low | 28.7 | Very low | 118 Ų | 118 | 121.9 Ų | 121.9 | 72% | 0.724 | 69% | 0.691 | S | S | * | * | 64.2 | 145.8 | 78 | 68.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 1495 | K | 26.2 | Very low | 28.6 | Very low | 175 Ų | 175 | 119.7 Ų | 119.7 | 76% | 0.761 | 68% | 0.676 | S | S | * | * | cis | -161.9 | 151.5 | 23.2 | -143.6 | -179.7 | 179.3 | -169.1 | 0 | 112 | ||||
| 1496 | L | 25.9 | Very low | 28.7 | Very low | 115 Ų | 115 | 112.3 Ų | 112.3 | 60% | 0.602 | 65% | 0.654 | S | S | * | * | trans | 38.4 | 134.8 | 148.3 | -69.2 | 167 | 0 | 0 | 0 | 123.7 | ||||
| 1497 | E | 25.8 | Very low | 28.6 | Very low | 179 Ų | 179 | 111.4 Ų | 111.4 | 84% | 0.836 | 65% | 0.645 | S | S | * | * | trans | 66.8 | 149.8 | 135.8 | -63.7 | 165.7 | 161.4 | 0 | 0 | 120.7 | ||||
| 1498 | G | 28.9 | Very low | 28.5 | Very low | 78 Ų | 78 | 115.6 Ų | 115.6 | 80% | 0.804 | 65% | 0.647 | S | S | * | * | trans | 151.5 | 33 | 170.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1499 | V | 25.2 | Very low | 28.4 | Very low | 139 Ų | 139 | 118.6 Ų | 118.6 | 84% | 0.842 | 65% | 0.648 | S | S | * | * | trans | -49.3 | 146.2 | 166.4 | 168.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1500 | P | 30.3 | Very low | 28.5 | Very low | 81 Ų | 81 | 117 Ų | 117 | 53% | 0.526 | 65% | 0.653 | S | S | . | * | cis | -145.5 | -165.6 | -24.5 | 43.2 | -22.9 | 0 | 0 | 0 | 115.7 | N1172 | N1172-P1500 PolarHBondContact ND2-O 3.23Š| ||
| 1501 | L | 25.6 | Very low | 28.2 | Very low | 121 Ų | 121 | 119.6 Ų | 119.6 | 63% | 0.634 | 66% | 0.663 | S | S | * | * | trans | 67 | 162 | 161.6 | -65.5 | 166.4 | 0 | 0 | 0 | 115.6 | N1171 N1172 | N1171-L1501 PolarHBondContact ND2-O 3.26Å; N1172-L1501 PolarHBondContact ND2-O 3.13Å; N1172-L1501 WeakPolarHBondContact OD1-CB 3.43Å | ||
| 1502 | A | 29 | Very low | 28.4 | Very low | 40 Ų | 40 | 120.4 Ų | 120.4 | 33% | 0.331 | 67% | 0.67 | S | S | . | * | cis | -139.1 | -130.3 | -1.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | N1171 N1172 | N1171-A1502 HydrophobicContact CB-CB 4.14Å; N1171-A1502 VanDerWaalsContact CG-N 3.3Å; N1171-A1502 VanDerWaalsContact CG-O 3.29Å; N1171-A1502 PolarHBondContact ND2-N 3Å; N1171-A1502 PolarHBondContact ND2-O 3.1Å; N1171-A1502 PolarHBondContact OD1-O 3.45Å; N1172-A1502 HydrophobicContact CB-CB 4.31Å; N1172-A1502 WeakPolarHBondContact OD1-CB 3.22Å | ||
| 1503 | T | 31.7 | Very low | 28.2 | Very low | 98 Ų | 98 | 117.8 Ų | 117.8 | 60% | 0.601 | 67% | 0.671 | S | S | * | * | trans | -153.7 | -170.9 | 173.2 | 65.4 | 0 | 0 | 0 | 0 | 107.6 | N1171 | N1171-T1503 VanDerWaalsContact CA-O 3.32Å; N1171-T1503 WeakPolarHBondContact CA-O 3.4Å; N1171-T1503 WeakPolarHBondContact OD1-CA 3.43Å; N1171-T1503 PolarHBondContact OD1-N 2.86Å | ||
| 1504 | P | 32.5 | Very low | 28.1 | Very low | 77 Ų | 77 | 114.4 Ų | 114.4 | 50% | 0.5 | 68% | 0.675 | S | S | . | * | cis | -63.7 | -106.7 | -2.2 | -26.1 | 35.5 | 0 | 0 | 0 | 120.9 | N1169 H1170 | N1169-P1504 VanDerWaalsContact O-CB 3.27Å; N1169-P1504 WeakPolarHBondContact O-CB 2.97Å; N1169-P1504 WeakPolarHBondContact O-CD 3.48Å; H1170-P1504 PolarHBondContact CE1-O 3.49Å; H1170-P1504 PolarHBondContact ND1-O 2.86Å; H1170-P1504 VanDerWaalsContact ND1-O 3.12Å | ||
| 1505 | E | 29.8 | Very low | 28.1 | Very low | 119 Ų | 119 | 115.8 Ų | 115.8 | 56% | 0.556 | 68% | 0.676 | S | S | * | * | trans | -170.5 | 173.7 | -144 | -167.7 | 178.5 | -103.4 | 0 | 0 | 108.6 | I1168 N1169 H1170 | I1168-E1505 CarbonylContact C-O 3.53Å; I1168-E1505 VanDerWaalsContact C-O 3.3Å; I1168-E1505 HydrophobicContact CB-CB 4.11Å; I1168-E1505 WeakPolarHBondContact CB-O 3.45Å; I1168-E1505 HydrophobicContact CD1-CB 4.26Å; I1168-E1505 HydrophobicContact CD1-CG 4.03Å; I1168-E1505 HydrophobicContact CG2-CB 4.08Å; N1169-E1505 CarbonylContact C-O 3.52Å; N1169-E1505 WeakPolarHBondContact CA-O 3.4Å; N1169-E1505 PolarHBondContact N-O 3.13Å; N1169-E1505 PolarHBondContact O-N 3.39Å; H1170-E1505 PolarHBondContact N-O 2.93Å | ||
| 1506 | D | 30.2 | Very low | 28.1 | Very low | 76 Ų | 76 | 114 Ų | 114 | 41% | 0.406 | 68% | 0.675 | S | S | . | * | trans | -147.7 | 178.7 | -168.7 | -106.9 | -66.1 | 0 | 0 | 0 | 120.9 | I1168 N1169 H1170 | I1168-D1506 VanDerWaalsContact CD1-O 3.27Å; I1168-D1506 WeakPolarHBondContact CD1-O 3.46Å; N1169-D1506 VanDerWaalsContact ND2-CG 3.31Å; N1169-D1506 PolarHBondContact ND2-OD1 3.01Å; N1169-D1506 PolarHBondContact ND2-OD2 2.97Å; H1170-D1506 IonicContact CD2-OD2 2.71Å; H1170-D1506 PolarHBondContact N-OD2 3.1Å | ||
| 1507 | V | 30.1 | Very low | 28.3 | Very low | 109 Ų | 109 | 115.9 Ų | 115.9 | 66% | 0.661 | 69% | 0.685 | S | S | * | * | trans | -73.7 | 120.2 | -160.1 | 174.5 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1508 | K | 27.5 | Very low | 28.3 | Very low | 144 Ų | 144 | 114.1 Ų | 114.1 | 63% | 0.626 | 68% | 0.677 | S | S | * | * | trans | 38.5 | 140.8 | 134.5 | -74 | -179.5 | 128.4 | -65.8 | 0 | 125.6 | ||||
| 1509 | D | 27.5 | Very low | 28.4 | Very low | 132 Ų | 132 | 116.2 Ų | 116.2 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | trans | 63.9 | 101.4 | 139.9 | -51.3 | -6 | 0 | 0 | 0 | 121.3 | ||||
| 1510 | A | 32.9 | Very low | 28.5 | Very low | 106 Ų | 106 | 115.1 Ų | 115.1 | 88% | 0.876 | 66% | 0.662 | S | S | * | * | trans | -158.6 | 109.6 | 149.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1511 | D | 25.6 | Very low | 28.2 | Very low | 174 Ų | 174 | 118.1 Ų | 118.1 | 93% | 0.93 | 67% | 0.667 | S | S | * | * | trans | -87.1 | 123 | 173 | -77.7 | -59.2 | 0 | 0 | 0 | 112.2 | ||||
| 1512 | S | 28.5 | Very low | 28.3 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 73% | 0.727 | 68% | 0.681 | S | S | * | * | trans | -178.2 | 105.8 | 150.8 | 55.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1513 | S | 24.7 | Very low | 28.2 | Very low | 103 Ų | 103 | 127.7 Ų | 127.7 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | 84.2 | 132.5 | 60.6 | 75.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 1514 | S | 25.5 | Very low | 27.9 | Very low | 115 Ų | 115 | 127.4 Ų | 127.4 | 80% | 0.804 | 69% | 0.691 | S | S | * | * | trans | 69.8 | 147.9 | -176.7 | 80.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1515 | I | 26.7 | Very low | 27.6 | Very low | 146 Ų | 146 | 126.7 Ų | 126.7 | 75% | 0.749 | 68% | 0.682 | S | S | * | * | cis | -132.5 | 136.6 | 21.7 | -80.7 | 178.3 | 0 | 0 | 0 | 112.4 | ||||
| 1516 | L | 25.8 | Very low | 27.4 | Very low | 139 Ų | 139 | 125.7 Ų | 125.7 | 73% | 0.728 | 68% | 0.684 | S | S | * | * | trans | 14 | 129.5 | 155.4 | -62.7 | 94.1 | 0 | 0 | 0 | 119.5 | ||||
| 1517 | N | 30.9 | Very low | 27.3 | Very low | 154 Ų | 154 | 124 Ų | 124 | 82% | 0.824 | 68% | 0.681 | S | S | * | * | -157.4 | 115.1 | 68.9 | -85 | -52.5 | 0 | 0 | 0 | 114.5 | |||||
| 1518 | E | 26.1 | Very low | 27.1 | Very low | 141 Ų | 141 | 127.5 Ų | 127.5 | 66% | 0.659 | 69% | 0.687 | S | S | * | * | trans | -81.8 | 167.5 | 158.3 | -65.5 | 173.1 | 119.7 | 0 | 0 | 109.7 | H1520 | E1518-H1520 VanDerWaalsContact CD-CE1 3.4Å; E1518-H1520 IonicContact OE1-CE1 2.83Å; E1518-H1520 PolarHBondContact OE1-CE1 3.3Å; E1518-H1520 IonicContact OE1-ND1 3.99Å; E1518-H1520 PolarHBondContact OE1-ND1 3.23Å; E1518-H1520 IonicContact OE1-NE2 3.55Å; E1518-H1520 IonicContact OE2-CE1 2.93Å; E1518-H1520 IonicContact OE2-NE2 2.93Å | ||
| 1519 | P | 31.1 | Very low | 27.2 | Very low | 122 Ų | 122 | 128.3 Ų | 128.3 | 79% | 0.792 | 69% | 0.693 | S | S | * | * | -121.4 | 138.8 | 60.6 | 4.9 | 19.5 | 0 | 0 | 0 | 113.5 | |||||
| 1520 | H | 26.9 | Very low | 27.1 | Very low | 117 Ų | 117 | 128.4 Ų | 128.4 | 54% | 0.542 | 69% | 0.693 | S | S | . | * | 67.2 | 111.7 | 67.9 | -79.1 | -12.9 | 0 | 0 | 0 | 113.6 | E1518 | E1518-H1520 VanDerWaalsContact CD-CE1 3.4Å; E1518-H1520 IonicContact OE1-CE1 2.83Å; E1518-H1520 PolarHBondContact OE1-CE1 3.3Å; E1518-H1520 IonicContact OE1-ND1 3.99Å; E1518-H1520 PolarHBondContact OE1-ND1 3.23Å; E1518-H1520 IonicContact OE1-NE2 3.55Å; E1518-H1520 IonicContact OE2-CE1 2.93Å; E1518-H1520 IonicContact OE2-NE2 2.93Å | |||
| 1521 | F | 24.7 | Very low | 26.8 | Very low | 143 Ų | 143 | 128.8 Ų | 128.8 | 63% | 0.627 | 68% | 0.68 | S | S | * | * | 84.8 | 130.2 | 73.5 | -89.3 | -142.4 | 0 | 0 | 0 | 113.3 | E1523 | F1521-E1523 HydrophobicContact CD1-CB 4.41Å; F1521-E1523 HydrophobicContact CD1-CG 3.76Å; F1521-E1523 HydrophobicContact CE1-CG 3.77Å | |||
| 1522 | Y | 26.7 | Very low | 26.9 | Very low | 238 Ų | 238 | 127.7 Ų | 127.7 | 93% | 0.933 | 66% | 0.663 | S | S | * | * | trans | -137.8 | 84.8 | 133 | -114.8 | -83.8 | 0 | 0 | 0 | 108.2 | ||||
| 1523 | E | 26.2 | Very low | 26.7 | Very low | 125 Ų | 125 | 127.7 Ų | 127.7 | 58% | 0.584 | 66% | 0.663 | S | S | * | * | trans | -59.3 | 158.9 | 143 | -66.5 | -171.8 | 132.3 | 0 | 0 | 107.9 | F1521 | F1521-E1523 HydrophobicContact CD1-CB 4.41Å; F1521-E1523 HydrophobicContact CD1-CG 3.76Å; F1521-E1523 HydrophobicContact CE1-CG 3.77Å | ||
| 1524 | T | 25.4 | Very low | 26.8 | Very low | 91 Ų | 91 | 128.2 Ų | 128.2 | 56% | 0.558 | 67% | 0.667 | S | S | * | * | 174.1 | 179.9 | 75.3 | 23.2 | 0 | 0 | 0 | 0 | 105.4 | T1526 | T1524-T1526 HydrophobicContact CG2-CG2 4.26Š| |||
| 1525 | I | 26.2 | Very low | 26.8 | Very low | 63 Ų | 63 | 127 Ų | 127 | 32% | 0.323 | 66% | 0.658 | S | S | . | * | cis | -139.6 | 124.6 | 23.2 | -66.5 | 71.8 | 0 | 0 | 0 | 109.2 | T1816 P1817 T1818 | I1525-T1816 HydrophobicContact CD1-CG2 4.3Å; I1525-T1816 WeakPolarHBondContact CD1-OG1 2.91Å; I1525-P1817 HydrophobicContact CB-CB 3.59Å; I1525-P1817 HydrophobicContact CB-CG 4.31Å; I1525-P1817 HydrophobicContact CD1-CB 3.82Å; I1525-P1817 HydrophobicContact CD1-CG 4.43Å; I1525-P1817 HydrophobicContact CG1-CB 3.5Å; I1525-P1817 HydrophobicContact CG1-CG 3.9Å; I1525-P1817 HydrophobicContact CG2-CB 3.74Å; I1525-P1817 HydrophobicContact CG2-CG 4.06Å; I1525-T1818 HydrophobicContact CG2-CG2 3.8Å | ||
| 1526 | T | 27.2 | Very low | 26.8 | Very low | 97 Ų | 97 | 128.6 Ų | 128.6 | 60% | 0.595 | 67% | 0.667 | S | S | * | * | 24.8 | 165.3 | 119 | 97.8 | 0 | 0 | 0 | 0 | 120.5 | T1524 | T1524-T1526 HydrophobicContact CG2-CG2 4.26Š| |||
| 1527 | A | 26.9 | Very low | 26.7 | Very low | 40 Ų | 40 | 130.6 Ų | 130.6 | 33% | 0.331 | 67% | 0.673 | S | S | . | * | cis | -163.4 | 160.9 | 14.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1528 | K | 26.6 | Very low | 26.2 | Very low | 184 Ų | 184 | 127.1 Ų | 127.1 | 80% | 0.8 | 66% | 0.66 | S | S | * | * | trans | 52.7 | 129.9 | 138.1 | -59 | 166.2 | -174.4 | 175.1 | 0 | 117.4 | ||||
| 1529 | H | 29.6 | Very low | 26.1 | Very low | 160 Ų | 160 | 127 Ų | 127 | 74% | 0.741 | 65% | 0.654 | S | S | * | * | -155.9 | 140.7 | 72.5 | -95.8 | 67.9 | 0 | 0 | 0 | 113.7 | |||||
| 1530 | L | 26 | Very low | 25.9 | Very low | 135 Ų | 135 | 129.2 Ų | 129.2 | 71% | 0.707 | 66% | 0.657 | S | S | * | * | trans | 54.9 | 135.1 | 144.5 | -58.2 | 175.2 | 0 | 0 | 0 | 119 | ||||
| 1531 | N | 26.3 | Very low | 25.8 | Very low | 113 Ų | 113 | 129.5 Ų | 129.5 | 60% | 0.604 | 67% | 0.67 | S | S | * | * | cis | -175.4 | 170.3 | -13.6 | -125.7 | 13.5 | 0 | 0 | 0 | 107.1 | ||||
| 1532 | R | 27.9 | Very low | 25.7 | Very low | 151 Ų | 151 | 127 Ų | 127 | 57% | 0.57 | 67% | 0.67 | S | S | * | * | trans | 59.6 | 97.1 | 161.6 | -65.3 | 168.1 | -175.6 | 172.5 | -1.8 | 114.7 | S1114 D1115 | S1114-R1532 PolarHBondContact OG-NH1 3.38Å; D1115-R1532 VanDerWaalsContact OD2-CB 3.24Å; D1115-R1532 WeakPolarHBondContact OD2-CB 3.29Å; D1115-R1532 WeakPolarHBondContact OD2-CD 3.29Å; D1115-R1532 IonicContact OD2-NH1 3.54Å | ||
| 1533 | S | 24.6 | Very low | 25.6 | Very low | 105 Ų | 105 | 121.2 Ų | 121.2 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | cis | 73 | 137.6 | 22.9 | -29.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1534 | S | 25 | Very low | 25.5 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 80% | 0.797 | 67% | 0.668 | S | S | * | * | trans | 96.3 | 157.8 | 159.3 | 81.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1535 | S | 26.5 | Very low | 25.4 | Very low | 90 Ų | 90 | 126.2 Ų | 126.2 | 63% | 0.629 | 67% | 0.665 | S | S | * | * | trans | 70.1 | 89.2 | -172.1 | 70.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 1536 | L | 25.4 | Very low | 25.2 | Very low | 178 Ų | 178 | 127.6 Ų | 127.6 | 93% | 0.932 | 67% | 0.668 | S | S | * | * | trans | -77.2 | 148.4 | 163.9 | -63 | 88.4 | 0 | 0 | 0 | 109.8 | ||||
| 1537 | Q | 24 | Very low | 25 | Very low | 181 Ų | 181 | 128.6 Ų | 128.6 | 85% | 0.846 | 67% | 0.674 | S | S | * | * | trans | -130.6 | 140.6 | 179.4 | -68.9 | -170.2 | -9.9 | 0 | 0 | 113 | ||||
| 1538 | C | 21.4 | Very low | 24.8 | Very low | 82 Ų | 82 | 128.8 Ų | 128.8 | 55% | 0.554 | 68% | 0.676 | S | S | * | * | trans | -114.7 | 120.3 | 164.5 | -59.4 | 0 | 0 | 0 | 0 | 109.5 | S1166 | S1166-C1538 WeakPolarHBondContact OG-CB 3.4Š| ||
| 1539 | R | 23.5 | Very low | 24.6 | Very low | 139 Ų | 139 | 128.3 Ų | 128.3 | 53% | 0.525 | 68% | 0.68 | S | S | . | * | trans | 180 | 152 | 162.3 | -102.9 | 173.3 | -159 | -159.5 | 1.7 | 108.7 | D1163 | D1163-R1539 IonicContact OD1-CZ 2.73Å; D1163-R1539 IonicContact OD1-NE 3.78Å; D1163-R1539 IonicContact OD1-NH1 2.84Å; D1163-R1539 PolarHBondContact OD1-NH1 2.76Å; D1163-R1539 IonicContact OD1-NH2 2.76Å; D1163-R1539 IonicContact OD2-CZ 3.92Å; D1163-R1539 IonicContact OD2-NH1 3.64Å; D1163-R1539 PolarHBondContact OD2-NH1 2.96Å; D1163-R1539 IonicContact OD2-NH2 3Å; D1163-R1539 PolarHBondContact OD2-NH2 3.23Å | ||
| 1540 | L | 26.8 | Very low | 24.3 | Very low | 167 Ų | 167 | 126.3 Ų | 126.3 | 87% | 0.874 | 68% | 0.679 | S | S | * | * | trans | -73.7 | 150.1 | 153.5 | -63.2 | 100 | 0 | 0 | 0 | 108.1 | ||||
| 1541 | P | 24.6 | Very low | 24.2 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 80% | 0.799 | 69% | 0.686 | S | S | * | * | -149.3 | -174.8 | 103.7 | 40.1 | -24 | 0 | 0 | 0 | 114.3 | |||||
| 1542 | S | 23.2 | Very low | 24 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 63% | 0.629 | 69% | 0.69 | S | S | * | * | trans | -82.2 | 178.3 | 167.1 | 54.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1543 | D | 23.6 | Very low | 23.9 | Very low | 118 Ų | 118 | 133 Ų | 133 | 63% | 0.631 | 70% | 0.698 | S | S | * | * | trans | 78.7 | 90.5 | 152.5 | -61.4 | -51.4 | 0 | 0 | 0 | 121.6 | ||||
| 1544 | Y | 24.2 | Very low | 23.9 | Very low | 217 Ų | 217 | 136.6 Ų | 136.6 | 85% | 0.851 | 70% | 0.7 | S | S | * | * | trans | 60.2 | -165.6 | 140.7 | -64.1 | -92.1 | 0 | 0 | 0 | 115.9 | ||||
| 1545 | Q | 23.2 | Very low | 23.8 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 49% | 0.486 | 69% | 0.694 | S | S | . | * | cis | -146.8 | -157.6 | 3.8 | -71.6 | -173.8 | 19.2 | 0 | 0 | 108.8 | S1121 | S1121-Q1545 PolarHBondContact O-OE1 3.19Å; S1121-Q1545 WeakPolarHBondContact OG-CB 3.37Å; S1121-Q1545 VanDerWaalsContact OG-CD 3.22Å; S1121-Q1545 PolarHBondContact OG-OE1 2.97Å | ||
| 1546 | F | 22.6 | Very low | 23.7 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 40% | 0.399 | 70% | 0.702 | S | S | . | * | trans | -131.9 | 161 | -160 | 62.9 | 109.5 | 0 | 0 | 0 | 118.9 | F1120 S1121 V1122 G1123 | F1120-F1546 CarbonylContact C-O 3.58Å; F1120-F1546 VanDerWaalsContact C-O 3.28Å; F1120-F1546 CarbonylContact O-C 3.3Å; S1121-F1546 CarbonylContact C-O 2.95Å; S1121-F1546 WeakPolarHBondContact CA-O 3.21Å; S1121-F1546 PolarHBondContact N-O 2.91Å; V1122-F1546 CarbonylContact C-O 3.42Å; V1122-F1546 VanDerWaalsContact CA-CG 3.4Å; V1122-F1546 HydrophobicContact CB-CD2 4.09Å; V1122-F1546 HydrophobicContact CB-CE1 4.26Å; V1122-F1546 HydrophobicContact CB-CE2 3.27Å; V1122-F1546 HydrophobicContact CB-CZ 3.36Å; V1122-F1546 HydrophobicContact CG1-CE1 3.94Å; V1122-F1546 HydrophobicContact CG1-CE2 4.13Å; V1122-F1546 HydrophobicContact CG1-CZ 3.45Å; V1122-F1546 VanDerWaalsContact CG1-CZ 3.45Å; V1122-F1546 HydrophobicContact CG2-CD2 4.44Å; V1122-F1546 HydrophobicContact CG2-CE2 3.1Å; V1122-F1546 HydrophobicContact CG2-CZ 3.38Å; V1122-F1546 PolarHBondContact N-O 2.58Å; V1122-F1546 WeakPolarHBondContact O-CD1 3.39Å; V1122-F1546 WeakPolarHBondContact O-CD2 3.3Å; V1122-F1546 WeakPolarHBondContact O-CE1 3.47Å; V1122-F1546 WeakPolarHBondContact O-CE2 3.47Å; V1122-F1546 WeakPolarHBondContact O-CG 3.49Å; V1122-F1546 WeakPolarHBondContact O-CZ 3.5Å; G1123-F1546 VanDerWaalsContact CA-CD2 3.45Å; G1123-F1546 VanDerWaalsContact CA-CZ 3.43Å; G1123-F1546 WeakPolarHBondContact O-CD1 3.46Å; G1123-F1546 WeakPolarHBondContact O-CE1 3.16Å | ||
| 1547 | V | 23.2 | Very low | 23.8 | Very low | 118 Ų | 118 | 134 Ų | 134 | 72% | 0.715 | 69% | 0.691 | S | S | * | * | trans | -95.3 | 127.4 | 164.5 | 177.9 | 0 | 0 | 0 | 0 | 108.6 | F1120 | F1120-V1547 VanDerWaalsContact O-CG2 3.29Å; F1120-V1547 WeakPolarHBondContact O-CG2 3.45Å; F1120-V1547 PolarHBondContact O-N 2.94Å | ||
| 1548 | A | 22.8 | Very low | 23.8 | Very low | 45 Ų | 45 | 135.2 Ų | 135.2 | 37% | 0.372 | 69% | 0.688 | S | S | . | * | cis | 95.8 | 52.3 | 27.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1549 | I | 22.6 | Very low | 24 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 89% | 0.892 | 69% | 0.685 | S | S | * | * | trans | -80.7 | 120.1 | 149.4 | -71.3 | -178.4 | 0 | 0 | 0 | 108.6 | ||||
| 1550 | T | 22.4 | Very low | 24.1 | Very low | 117 Ų | 117 | 134.5 Ų | 134.5 | 72% | 0.718 | 69% | 0.688 | S | S | * | * | trans | -83.7 | 134.7 | 171.3 | 59.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1551 | R | 23.6 | Very low | 24 | Very low | 225 Ų | 225 | 129.5 Ų | 129.5 | 85% | 0.849 | 67% | 0.668 | S | S | * | * | -171.2 | 118.9 | 125.2 | -104.5 | 164.4 | -170.5 | -156.1 | 2.6 | 114.6 | |||||
| 1552 | K | 23.8 | Very low | 24 | Very low | 160 Ų | 160 | 131.8 Ų | 131.8 | 70% | 0.696 | 66% | 0.661 | S | S | * | * | 51 | 111.1 | 129.7 | -70.9 | -171.1 | 175.4 | -174.1 | 0 | 119.6 | |||||
| 1553 | Q | 24.5 | Very low | 24.1 | Very low | 155 Ų | 155 | 133.3 Ų | 133.3 | 72% | 0.724 | 66% | 0.662 | S | S | * | * | 80.6 | 157.8 | 117.6 | -70 | -179.2 | -26.6 | 0 | 0 | 119.5 | |||||
| 1554 | K | 24.1 | Very low | 24.2 | Very low | 180 Ų | 180 | 131.5 Ų | 131.5 | 78% | 0.783 | 66% | 0.658 | S | S | * | * | trans | 63.5 | 87.9 | 167.2 | -69.8 | 171.4 | -177 | -176.7 | 0 | 113.6 | ||||
| 1555 | S | 24.4 | Very low | 24.2 | Very low | 97 Ų | 97 | 128.5 Ų | 128.5 | 68% | 0.678 | 66% | 0.657 | S | S | * | * | 67.1 | 149.3 | 65.4 | 82.6 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1556 | S | 24.5 | Very low | 24.2 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 78% | 0.783 | 66% | 0.661 | S | S | * | * | trans | 71.8 | 137.2 | -179.2 | 89.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1557 | V | 25.7 | Very low | 24.4 | Very low | 118 Ų | 118 | 127 Ų | 127 | 72% | 0.715 | 67% | 0.673 | S | S | * | * | cis | -149 | 171.3 | -9.3 | 97.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1558 | R | 24.3 | Very low | 24.4 | Very low | 207 Ų | 207 | 128.5 Ų | 128.5 | 78% | 0.781 | 68% | 0.676 | S | S | * | * | trans | -31.9 | 165.2 | 156.3 | -53.7 | 162 | -176.6 | 153.3 | -3.6 | 111.7 | ||||
| 1559 | I | 26.8 | Very low | 24.5 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 49% | 0.487 | 69% | 0.69 | S | S | . | * | cis | -148.8 | 127.1 | 44.3 | -64.7 | 174.2 | 0 | 0 | 0 | 103 | I1035 | I1035-I1559 WeakPolarHBondContact O-CG2 3.18Š| ||
| 1560 | N | 24.7 | Very low | 25 | Very low | 111 Ų | 111 | 128.9 Ų | 128.9 | 59% | 0.594 | 68% | 0.681 | S | S | * | * | 52 | 147.1 | 84.5 | -76.7 | 23 | 0 | 0 | 0 | 111.8 | L1034 | L1034-N1560 PolarHBondContact O-ND2 3.33Š| |||
| 1561 | S | 24.9 | Very low | 25.3 | Very low | 63 Ų | 63 | 127.5 Ų | 127.5 | 44% | 0.441 | 67% | 0.674 | S | S | . | * | cis | -171.5 | -172.2 | -15.4 | 47.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1562 | W | 24.4 | Very low | 25.3 | Very low | 171 Ų | 171 | 120.2 Ų | 120.2 | 65% | 0.648 | 66% | 0.656 | S | S | * | * | trans | 73.1 | 152.1 | 157.7 | -62.4 | 3.6 | 0 | 0 | 0 | 115.3 | ||||
| 1563 | N | 26.1 | Very low | 25.4 | Very low | 122 Ų | 122 | 117.1 Ų | 117.1 | 65% | 0.652 | 65% | 0.654 | S | S | * | * | cis | -155.3 | 168.3 | -10.7 | -116.8 | -2.1 | 0 | 0 | 0 | 113 | ||||
| 1564 | S | 24.8 | Very low | 25.4 | Very low | 80 Ų | 80 | 113.8 Ų | 113.8 | 56% | 0.559 | 64% | 0.64 | S | S | * | * | trans | 14.7 | 130.5 | 149 | 64.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1565 | D | 23.8 | Very low | 25.4 | Very low | 154 Ų | 154 | 110 Ų | 110 | 82% | 0.824 | 63% | 0.628 | S | S | * | * | trans | 59.8 | 176.1 | 132.3 | -62.8 | -60.2 | 0 | 0 | 0 | 120.5 | ||||
| 1566 | A | 24.7 | Very low | 25.4 | Very low | 70 Ų | 70 | 112.7 Ų | 112.7 | 58% | 0.579 | 63% | 0.63 | S | S | * | * | trans | 54.3 | 117.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1567 | S | 26.4 | Very low | 25.3 | Very low | 93 Ų | 93 | 113 Ų | 113 | 65% | 0.65 | 63% | 0.627 | S | S | * | * | 51.5 | 47.6 | 58.7 | 90.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 1568 | I | 23.8 | Very low | 25.2 | Very low | 150 Ų | 150 | 112.4 Ų | 112.4 | 77% | 0.769 | 63% | 0.628 | S | S | * | * | trans | -145.5 | 134 | 161.7 | -94.3 | 147.5 | 0 | 0 | 0 | 107.2 | ||||
| 1569 | S | 24 | Very low | 25.2 | Very low | 95 Ų | 95 | 110.2 Ų | 110.2 | 66% | 0.664 | 63% | 0.628 | S | S | * | * | cis | 174.7 | 169.2 | -29.5 | 48.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1570 | N | 32.3 | Very low | 25.2 | Very low | 131 Ų | 131 | 110.2 Ų | 110.2 | 70% | 0.701 | 64% | 0.637 | S | S | * | * | trans | -31.1 | 149.4 | 140.9 | -68.3 | -15.3 | 0 | 0 | 0 | 112.4 | ||||
| 1571 | P | 29.7 | Very low | 25.1 | Very low | 89 Ų | 89 | 110 Ų | 110 | 58% | 0.578 | 65% | 0.645 | S | S | * | * | -149.1 | 179.6 | 70.2 | 40 | -21.1 | 0 | 0 | 0 | 115.9 | |||||
| 1572 | P | 24.5 | Very low | 25.5 | Very low | 71 Ų | 71 | 112 Ų | 112 | 46% | 0.461 | 66% | 0.656 | S | S | . | * | cis | -109.3 | 162 | -13.3 | 3.3 | 20.6 | 0 | 0 | 0 | 112.1 | L1050 I1574 | L1050-P1572 HydrophobicContact CD1-CG 4.23Å; L1050-P1572 HydrophobicContact CD2-CG 4.1Å; P1572-I1574 HydrophobicContact CB-CB 4.31Å; P1572-I1574 HydrophobicContact CB-CD1 3.98Å; P1572-I1574 HydrophobicContact CB-CG1 3.69Å; P1572-I1574 HydrophobicContact CG-CD1 4.02Å; P1572-I1574 HydrophobicContact CG-CG1 4.3Å | ||
| 1573 | S | 25 | Very low | 25.5 | Very low | 95 Ų | 95 | 110.6 Ų | 110.6 | 66% | 0.664 | 66% | 0.66 | S | S | * | * | cis | 60.5 | 47.5 | 13 | 86.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1574 | I | 23.9 | Very low | 25.3 | Very low | 85 Ų | 85 | 111.1 Ų | 111.1 | 44% | 0.436 | 66% | 0.662 | S | S | . | * | trans | -119.6 | 113.6 | 161.6 | -76.9 | 168.3 | 0 | 0 | 0 | 109.5 | L1050 F1055 P1572 | L1050-I1574 HydrophobicContact CD2-CD1 4.29Å; F1055-I1574 HydrophobicContact CE2-CG2 4Å; F1055-I1574 HydrophobicContact CZ-CG2 3.61Å; P1572-I1574 HydrophobicContact CB-CB 4.31Å; P1572-I1574 HydrophobicContact CB-CD1 3.98Å; P1572-I1574 HydrophobicContact CB-CG1 3.69Å; P1572-I1574 HydrophobicContact CG-CD1 4.02Å; P1572-I1574 HydrophobicContact CG-CG1 4.3Å | ||
| 1575 | I | 24.9 | Very low | 25.3 | Very low | 101 Ų | 101 | 118.6 Ų | 118.6 | 52% | 0.518 | 68% | 0.678 | S | S | . | * | trans | 50.7 | 99 | 143.8 | -54.1 | 176.9 | 0 | 0 | 0 | 115.6 | F1057 | F1057-I1575 HydrophobicContact CE1-CB 4.24Å; F1057-I1575 HydrophobicContact CE1-CG2 3.53Å; F1057-I1575 HydrophobicContact CZ-CB 3.94Å; F1057-I1575 HydrophobicContact CZ-CD1 4Å; F1057-I1575 HydrophobicContact CZ-CG2 3.54Å | ||
| 1576 | Q | 24.1 | Very low | 25.3 | Very low | 154 Ų | 154 | 116.2 Ų | 116.2 | 72% | 0.72 | 67% | 0.673 | S | S | * | * | 75.7 | 113.7 | 75.3 | -163.5 | -176 | 1.3 | 0 | 0 | 112.6 | |||||
| 1577 | T | 23.2 | Very low | 25.4 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 72% | 0.718 | 69% | 0.688 | S | S | * | * | trans | 51.7 | 131.4 | 151.7 | 56.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 1578 | S | 23.3 | Very low | 25.3 | Very low | 107 Ų | 107 | 123.1 Ų | 123.1 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | trans | 79.2 | 144.6 | 149.4 | 94.1 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1579 | M | 24.8 | Very low | 25.5 | Very low | 160 Ų | 160 | 123.8 Ų | 123.8 | 79% | 0.788 | 69% | 0.693 | S | S | * | * | cis | -140.8 | 165.8 | 2.6 | -78.8 | -161.7 | 159.1 | 0 | 0 | 113.5 | ||||
| 1580 | S | 25.4 | Very low | 25.6 | Very low | 95 Ų | 95 | 127.7 Ų | 127.7 | 66% | 0.664 | 71% | 0.705 | S | S | * | * | trans | 28.4 | 125 | 144.9 | 64.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 1581 | S | 24.1 | Very low | 25.4 | Very low | 108 Ų | 108 | 125.7 Ų | 125.7 | 76% | 0.755 | 70% | 0.701 | S | S | * | * | 27.5 | 154.5 | 99.8 | -56.2 | 0 | 0 | 0 | 0 | 121 | |||||
| 1582 | P | 32.8 | Very low | 25.1 | Very low | 104 Ų | 104 | 133 Ų | 133 | 68% | 0.675 | 72% | 0.718 | S | S | * | * | cis | -151.3 | -167.9 | -30.5 | 43.5 | -24.4 | 0 | 0 | 0 | 115.6 | ||||
| 1583 | L | 23.2 | Very low | 25.2 | Very low | 142 Ų | 142 | 132.9 Ų | 132.9 | 74% | 0.743 | 72% | 0.723 | S | S | * | * | trans | 72.5 | 130.8 | 149.8 | -69.5 | 178.5 | 0 | 0 | 0 | 122.7 | ||||
| 1584 | I | 23.6 | Very low | 25.3 | Very low | 132 Ų | 132 | 138.3 Ų | 138.3 | 68% | 0.677 | 73% | 0.734 | S | S | * | * | trans | 63.7 | 116.9 | 139 | -60.5 | 167.4 | 0 | 0 | 0 | 116.7 | ||||
| 1585 | R | 24.7 | Very low | 25.5 | Very low | 238 Ų | 238 | 140.5 Ų | 140.5 | 90% | 0.898 | 75% | 0.746 | S | S | * | * | -161.4 | 175.3 | 65.7 | -143.3 | 153.2 | -157.4 | 170.2 | 5.6 | 113.9 | |||||
| 1586 | S | 23.4 | Very low | 25.7 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -84.8 | 141.5 | -177.2 | 51.1 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1587 | T | 25.7 | Very low | 25.7 | Very low | 145 Ų | 145 | 146.2 Ų | 146.2 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | -145.7 | 145.4 | 142.7 | 41.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1588 | E | 25.4 | Very low | 26 | Very low | 164 Ų | 164 | 148 Ų | 148 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | -102 | -179.9 | -173 | -63.4 | 165.9 | 111.8 | 0 | 0 | 112.5 | ||||
| 1589 | H | 27.2 | Very low | 26.1 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 59.4 | 112.1 | 163 | -56.1 | -67.5 | 0 | 0 | 0 | 119.2 | ||||
| 1590 | L | 26.8 | Very low | 26.2 | Very low | 177 Ų | 177 | 146.8 Ų | 146.8 | 93% | 0.927 | 77% | 0.767 | S | S | * | * | -163.6 | 152.4 | 95.5 | -103.2 | 159.8 | 0 | 0 | 0 | 111.6 | |||||
| 1591 | S | 28 | Very low | 26.2 | Very low | 89 Ų | 89 | 149 Ų | 149 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | trans | -111.7 | 153.4 | -173.1 | 54.8 | 0 | 0 | 0 | 0 | 111.9 | A1593 | S1591-A1593 PolarHBondContact O-N 3.13Š| ||
| 1592 | W | 23.7 | Very low | 26.2 | Very low | 242 Ų | 242 | 149.6 Ų | 149.6 | 92% | 0.917 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -87.7 | 67.1 | 163.9 | -121.2 | 81.2 | 0 | 0 | 0 | 110.7 | ||
| 1593 | A | 26.4 | Very low | 25.9 | Very low | 69 Ų | 69 | 152.1 Ų | 152.1 | 57% | 0.57 | 76% | 0.759 | S | S | * | * | trans | -122.1 | 134.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | S1591 | S1591-A1593 PolarHBondContact O-N 3.13Š| ||
| 1594 | K | 27.1 | Very low | 25.9 | Very low | 208 Ų | 208 | 151.6 Ų | 151.6 | 90% | 0.904 | 76% | 0.756 | S | S | * | * | trans | 62.4 | 83.2 | 175.3 | -66.3 | -175.2 | 173 | -178.7 | 0 | 118 | ||||
| 1595 | I | 28.2 | Very low | 25.9 | Very low | 132 Ų | 132 | 152.4 Ų | 152.4 | 68% | 0.677 | 76% | 0.757 | S | S | * | * | trans | -138.7 | 120.7 | 143.7 | -62.4 | -177.1 | 0 | 0 | 0 | 105 | ||||
| 1596 | K | 28.4 | Very low | 25.9 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 83% | 0.83 | 75% | 0.748 | S | S | * | * | cis | -128.8 | 164.1 | 17.7 | -55.9 | -179.1 | 174.7 | -175.6 | 0 | 113.7 | ||||
| 1597 | Q | 25.2 | Very low | 26.1 | Very low | 184 Ų | 184 | 147 Ų | 147 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | trans | -94 | -160.7 | 153.7 | -70.7 | 172.4 | -81.7 | 0 | 0 | 110.1 | ||||
| 1598 | I | 29 | Very low | 26 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | trans | 88.5 | 121.4 | 175.9 | -56.6 | 164.8 | 0 | 0 | 0 | 112.7 | ||||
| 1599 | T | 25.9 | Very low | 26 | Very low | 113 Ų | 113 | 147 Ų | 147 | 69% | 0.693 | 74% | 0.74 | S | S | * | * | cis | -171.3 | 158 | -10.8 | 26.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 1600 | V | 25.8 | Very low | 25.9 | Very low | 129 Ų | 129 | 144.4 Ų | 144.4 | 78% | 0.782 | 74% | 0.74 | S | S | * | * | trans | 67.3 | 146.1 | 145.8 | 163.1 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1601 | K | 25 | Very low | 25.9 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 62% | 0.617 | 73% | 0.725 | S | S | * | * | cis | -163.8 | 169.7 | -21.5 | -106 | 174.4 | 110.5 | -143.3 | 0 | 107.4 | ||||
| 1602 | E | 25.8 | Very low | 25.9 | Very low | 121 Ų | 121 | 142.2 Ų | 142.2 | 57% | 0.565 | 72% | 0.721 | S | S | * | * | trans | 62.1 | 113.4 | 143.5 | -74.1 | 158.4 | 162.5 | 0 | 0 | 122.2 | ||||
| 1603 | E | 24.6 | Very low | 26.5 | Very low | 157 Ų | 157 | 135.5 Ų | 135.5 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | 81 | 127.4 | 115.5 | -66.4 | -178.6 | 162.9 | 0 | 0 | 123.7 | |||||
| 1604 | L | 24.3 | Very low | 26.7 | Very low | 130 Ų | 130 | 140.1 Ų | 140.1 | 68% | 0.681 | 72% | 0.724 | S | S | * | * | trans | 66.5 | 137.7 | 133.6 | -87.4 | 66.7 | 0 | 0 | 0 | 123.4 | ||||
| 1605 | E | 24.3 | Very low | 26.6 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | 69 | 109.7 | 134.5 | -70.1 | -178.4 | 163.7 | 0 | 0 | 122.6 | ||||
| 1606 | T | 24.8 | Very low | 26.5 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 72% | 0.718 | 72% | 0.724 | S | S | * | * | 80.8 | 151.1 | 125 | 63 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 1607 | T | 25.6 | Very low | 26.5 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 68% | 0.681 | 73% | 0.726 | S | S | * | * | trans | 59.5 | 102.7 | 150.4 | 43.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 1608 | Q | 24.2 | Very low | 26.5 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 78% | 0.78 | 72% | 0.722 | S | S | * | * | 64.3 | 154 | 110.6 | -72 | -170.9 | -4 | 0 | 0 | 122.4 | |||||
| 1609 | I | 25.6 | Very low | 26.3 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 73% | 0.728 | 72% | 0.722 | S | S | * | * | trans | 84.8 | 133.8 | 151.1 | -72.7 | 149.6 | 0 | 0 | 0 | 120 | ||||
| 1610 | S | 26.4 | Very low | 26.3 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | trans | 76.9 | 130.8 | 160.5 | 70.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 1611 | K | 25.8 | Very low | 26.6 | Very low | 140 Ų | 140 | 138.9 Ų | 138.9 | 61% | 0.609 | 74% | 0.736 | S | S | * | * | trans | -109.4 | -165 | -178.1 | -53.6 | 127.8 | 159.5 | 175.6 | 0 | 110.1 | D1836 | K1611-D1836 WeakPolarHBondContact CD-OD1 3.49Å; K1611-D1836 WeakPolarHBondContact CD-OD2 3.47Å; K1611-D1836 WeakPolarHBondContact CE-OD1 3.32Å; K1611-D1836 IonicContact NZ-OD1 3.36Å; K1611-D1836 PolarHBondContact NZ-OD1 3.18Å; K1611-D1836 IonicContact NZ-OD2 2.93Å | ||
| 1612 | S | 28.2 | Very low | 26.6 | Very low | 79 Ų | 79 | 140.5 Ų | 140.5 | 55% | 0.552 | 75% | 0.746 | S | S | * | * | trans | 100.7 | 161.6 | 140.5 | 95.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1613 | P | 35.5 | Very low | 26.5 | Very low | 102 Ų | 102 | 143 Ų | 143 | 66% | 0.662 | 76% | 0.755 | S | S | * | * | -138.6 | -169 | -107.9 | 34.6 | -11.3 | 0 | 0 | 0 | 113.7 | |||||
| 1614 | N | 30.8 | Very low | 26.6 | Very low | 166 Ų | 166 | 144.1 Ų | 144.1 | 89% | 0.888 | 76% | 0.759 | S | S | * | * | trans | -151.2 | 146.5 | 148.2 | -111.8 | -57.4 | 0 | 0 | 0 | 112.5 | ||||
| 1615 | L | 25.6 | Very low | 26.6 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 84% | 0.843 | 76% | 0.763 | S | S | * | * | trans | -141.2 | 167.8 | -169.9 | -141.1 | 111.4 | 0 | 0 | 0 | 110.9 | ||||
| 1616 | A | 25.7 | Very low | 26.6 | Very low | 89 Ų | 89 | 147.4 Ų | 147.4 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | trans | 63.7 | 82.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1617 | K | 27.4 | Very low | 26.6 | Very low | 199 Ų | 199 | 146.3 Ų | 146.3 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | -140.7 | 135.7 | 135.2 | -79.8 | -170.5 | -179.6 | 177.4 | 0 | 108 | ||||
| 1618 | L | 26.7 | Very low | 26.6 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | cis | -154.9 | 131.1 | -6.9 | -139.6 | 158.6 | 0 | 0 | 0 | 108 | ||||
| 1619 | C | 25.2 | Very low | 26.7 | Very low | 116 Ų | 116 | 147.8 Ų | 147.8 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | trans | -85.9 | 131.9 | 171.8 | -70.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1620 | D | 25.4 | Very low | 26.8 | Very low | 157 Ų | 157 | 148.3 Ų | 148.3 | 84% | 0.84 | 78% | 0.781 | S | S | * | * | trans | -172.5 | 106.5 | 136.9 | -107.2 | -21.7 | 0 | 0 | 0 | 113 | ||||
| 1621 | K | 30.9 | Very low | 26.7 | Very low | 213 Ų | 213 | 149.8 Ų | 149.8 | 93% | 0.926 | 78% | 0.78 | S | S | * | * | trans | 170.8 | 84.7 | 147.4 | -98 | 166.9 | -177.1 | 178.3 | 0 | 110.7 | ||||
| 1622 | Q | 26.7 | Very low | 26.6 | Very low | 176 Ų | 176 | 150.5 Ų | 150.5 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | trans | -96.1 | 162.1 | 159.4 | -75.8 | -171.1 | -13.7 | 0 | 0 | 110.7 | ||||
| 1623 | K | 23.8 | Very low | 26.6 | Very low | 174 Ų | 174 | 154.2 Ų | 154.2 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | trans | 86.9 | 131.5 | 166.3 | -53.6 | -175.9 | 178.6 | -179.9 | 0 | 117.3 | ||||
| 1624 | H | 25.5 | Very low | 26.1 | Very low | 180 Ų | 180 | 157.9 Ų | 157.9 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | trans | 66.5 | 141.7 | 179.2 | -50.1 | -78.5 | 0 | 0 | 0 | 114.6 | ||||
| 1625 | V | 25.4 | Very low | 25.8 | Very low | 124 Ų | 124 | 160.2 Ų | 160.2 | 75% | 0.752 | 79% | 0.787 | S | S | * | * | cis | -119.2 | 146.8 | 11.7 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1626 | Y | 23.6 | Very low | 25.9 | Very low | 224 Ų | 224 | 156.8 Ų | 156.8 | 88% | 0.878 | 77% | 0.767 | S | S | * | * | trans | -110.8 | 117.5 | 165.6 | -120.7 | -95 | 0 | 0 | 0 | 107.2 | ||||
| 1627 | S | 24 | Very low | 26.1 | Very low | 94 Ų | 94 | 161.1 Ų | 161.1 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | trans | -173.8 | 162.8 | 160.2 | 52.3 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1628 | D | 26.6 | Very low | 26 | Very low | 154 Ų | 154 | 160.6 Ų | 160.6 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | trans | 74.5 | 42.5 | 179.8 | -57.2 | 9.9 | 0 | 0 | 0 | 116.1 | ||||
| 1629 | L | 25.8 | Very low | 26 | Very low | 156 Ų | 156 | 160.2 Ų | 160.2 | 82% | 0.817 | 76% | 0.76 | S | S | * | * | trans | -105.7 | 84.5 | 151.5 | -77.5 | 169.8 | 0 | 0 | 0 | 108.1 | ||||
| 1630 | D | 27.1 | Very low | 26.1 | Very low | 152 Ų | 152 | 158 Ų | 158 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | trans | -76.2 | 140 | -171 | -167.7 | 23 | 0 | 0 | 0 | 113.4 | ||||
| 1631 | D | 24.7 | Very low | 26.3 | Very low | 140 Ų | 140 | 155 Ų | 155 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | trans | -70.7 | 135.2 | -155.6 | -82.9 | -50.4 | 0 | 0 | 0 | 115.3 | ||||
| 1632 | R | 25.1 | Very low | 26.2 | Very low | 155 Ų | 155 | 152.9 Ų | 152.9 | 59% | 0.585 | 72% | 0.721 | S | S | * | * | trans | -162.4 | 1.4 | 150.7 | -124.9 | 169.1 | -71.2 | -176.9 | 2.5 | 120.9 | ||||
| 1633 | Y | 26.6 | Very low | 26.4 | Very low | 157 Ų | 157 | 149.8 Ų | 149.8 | 62% | 0.616 | 71% | 0.709 | S | S | * | * | trans | -130.3 | 70.9 | -173.7 | -81.4 | -75.7 | 0 | 0 | 0 | 115.8 | R85 | R85-Y1633 VanDerWaalsContact CZ-CZ 3.49Å; R85-Y1633 PolarHBondContact NH1-OH 3.44Å | ||
| 1634 | E | 25.2 | Very low | 26.7 | Very low | 180 Ų | 180 | 147.2 Ų | 147.2 | 84% | 0.841 | 70% | 0.703 | S | S | * | * | trans | -135.8 | 123.8 | 154.7 | -76.5 | -150.9 | 154.9 | 0 | 0 | 112.6 | ||||
| 1635 | R | 25.5 | Very low | 26.8 | Very low | 215 Ų | 215 | 143.5 Ų | 143.5 | 81% | 0.811 | 69% | 0.692 | S | S | * | * | trans | 172.6 | 149.7 | 135.4 | -94.3 | 169.9 | -166.8 | -162.6 | 3.7 | 109.3 | ||||
| 1636 | E | 27.3 | Very low | 26.9 | Very low | 89 Ų | 89 | 145.9 Ų | 145.9 | 42% | 0.416 | 69% | 0.693 | S | S | . | * | S | Bend | trans | 65 | 110.3 | 172.3 | -60.7 | -172.6 | 158.4 | 0 | 0 | 116.8 | N617 V619 | N617-E1636 PolarHBondContact ND2-OE1 2.64Å; N617-E1636 PolarHBondContact OD1-OE2 3.3Å; V619-E1636 WeakPolarHBondContact CG2-OE2 3.33Å |
| 1637 | Y | 30.5 | Very low | 27.2 | Very low | 180 Ų | 180 | 140.1 Ų | 140.1 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | cis | -145.2 | 143.4 | -1.1 | -93.5 | -78.4 | 0 | 0 | 0 | 111.3 | ||||
| 1638 | F | 24.8 | Very low | 27.4 | Very low | 187 Ų | 187 | 142.3 Ų | 142.3 | 82% | 0.82 | 69% | 0.689 | S | S | * | * | trans | -69 | 142.3 | 166.2 | -96.7 | -115.9 | 0 | 0 | 0 | 111.7 | ||||
| 1639 | I | 27.4 | Very low | 27.3 | Very low | 141 Ų | 141 | 139.8 Ų | 139.8 | 72% | 0.723 | 68% | 0.683 | S | S | * | * | trans | -127.2 | 132.2 | 144.4 | -65 | -177.9 | 0 | 0 | 0 | 106.2 | P1641 | I1639-P1641 WeakPolarHBondContact O-CD 3.2Š| ||
| 1640 | D | 26.9 | Very low | 27.4 | Very low | 69 Ų | 69 | 140.8 Ų | 140.8 | 37% | 0.369 | 68% | 0.681 | S | S | . | * | trans | -62.8 | 121.5 | -170.7 | 179.6 | 4 | 0 | 0 | 0 | 112.5 | K1642 I1643 | D1640-K1642 PolarHBondContact O-N 3.31Å; D1640-K1642 WeakPolarHBondContact OD1-CB 3.33Å; D1640-K1642 PolarHBondContact OD1-N 3.44Å; D1640-I1643 HydrophobicContact CB-CB 4.35Å; D1640-I1643 HydrophobicContact CB-CD1 3.92Å; D1640-I1643 HydrophobicContact CB-CG1 3.94Å; D1640-I1643 PolarHBondContact O-N 3.32Å | ||
| 1641 | P | 29.2 | Very low | 27.4 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 62% | 0.623 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -53.2 | -24.8 | 173.2 | -27.2 | 35.9 | 0 | 0 | 0 | 114.5 | I1639 V1645 | I1639-P1641 WeakPolarHBondContact O-CD 3.2Å; P1641-V1645 WeakPolarHBondContact O-CG2 3.46Å |
| 1642 | K | 29 | Very low | 27.5 | Very low | 167 Ų | 167 | 142.1 Ų | 142.1 | 73% | 0.726 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -84.6 | -10.6 | 180 | -62.6 | 179.5 | 178.8 | 177.6 | 0 | 114 | D1640 | D1640-K1642 PolarHBondContact O-N 3.31Å; D1640-K1642 WeakPolarHBondContact OD1-CB 3.33Å; D1640-K1642 PolarHBondContact OD1-N 3.44Å |
| 1643 | I | 31.4 | Very low | 27.6 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 57% | 0.574 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -87.1 | -37.8 | 175.6 | -67.1 | 179.3 | 0 | 0 | 0 | 111.2 | D1640 V1645 K1646 | D1640-I1643 HydrophobicContact CB-CB 4.35Å; D1640-I1643 HydrophobicContact CB-CD1 3.92Å; D1640-I1643 HydrophobicContact CB-CG1 3.94Å; D1640-I1643 PolarHBondContact O-N 3.32Å; I1643-V1645 VanDerWaalsContact C-N 3.26Å; I1643-V1645 PolarHBondContact O-N 2.94Å; I1643-K1646 PolarHBondContact O-N 2.93Å |
| 1644 | L | 29.6 | Very low | 27.6 | Very low | 120 Ų | 120 | 141 Ų | 141 | 63% | 0.628 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -63.5 | -33.1 | 178.1 | -137.7 | 81.2 | 0 | 0 | 0 | 112.6 | K1646 S1647 | L1644-K1646 VanDerWaalsContact C-N 3.25Å; L1644-K1646 PolarHBondContact O-N 3.36Å; L1644-S1647 PolarHBondContact O-N 2.93Å |
| 1645 | V | 28.2 | Very low | 27.6 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 61% | 0.612 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -16.1 | -177.4 | 175.6 | 0 | 0 | 0 | 0 | 113.1 | P1641 I1643 | P1641-V1645 WeakPolarHBondContact O-CG2 3.46Å; I1643-V1645 VanDerWaalsContact C-N 3.26Å; I1643-V1645 PolarHBondContact O-N 2.94Å |
| 1646 | K | 27.4 | Very low | 27.8 | Very low | 175 Ų | 175 | 135.7 Ų | 135.7 | 76% | 0.761 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 14.1 | 178.3 | -84.2 | -173.5 | 173.3 | -179.6 | 0 | 115.2 | I1643 L1644 | I1643-K1646 PolarHBondContact O-N 2.93Å; L1644-K1646 VanDerWaalsContact C-N 3.25Å; L1644-K1646 PolarHBondContact O-N 3.36Å |
| 1647 | S | 28.2 | Very low | 27.7 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 72% | 0.72 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -127.7 | 4.9 | 175.9 | -65.1 | 0 | 0 | 0 | 0 | 115.1 | L1644 | L1644-S1647 PolarHBondContact O-N 2.93Š|
| 1648 | L | 28.2 | Very low | 27.5 | Very low | 139 Ų | 139 | 134.9 Ų | 134.9 | 73% | 0.728 | 69% | 0.692 | S | S | * | * | trans | -117.3 | 8.2 | 174.6 | -70.9 | 169.2 | 0 | 0 | 0 | 113.5 | K1650 | L1648-K1650 PolarHBondContact O-N 2.65Š| ||
| 1649 | S | 25.9 | Very low | 27.6 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | trans | -78 | 32.1 | 177.7 | 66.9 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1650 | K | 26.5 | Very low | 27.7 | Very low | 178 Ų | 178 | 133.1 Ų | 133.1 | 77% | 0.774 | 69% | 0.688 | S | S | * | * | trans | -153.4 | 122.2 | 162.7 | -70.6 | -175.4 | 178.5 | 177.7 | 0 | 103.8 | L1648 | L1648-K1650 PolarHBondContact O-N 2.65Š| ||
| 1651 | W | 28.4 | Very low | 27.6 | Very low | 258 Ų | 258 | 135 Ų | 135 | 98% | 0.977 | 70% | 0.702 | S | S | * | * | S | Bend | cis | -123.4 | 123.8 | 20.4 | -67.5 | 36 | 0 | 0 | 0 | 112.2 | ||
| 1652 | G | 26.1 | Very low | 27.5 | Very low | 62 Ų | 62 | 135.4 Ų | 135.4 | 64% | 0.639 | 71% | 0.707 | S | S | * | * | trans | -130.5 | 178.4 | 144.7 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1653 | L | 26.9 | Very low | 27.3 | Very low | 149 Ų | 149 | 132.1 Ų | 132.1 | 78% | 0.78 | 71% | 0.705 | S | S | * | * | cis | -114.7 | -132.5 | -6 | -64.4 | 93.6 | 0 | 0 | 0 | 107.3 | ||||
| 1654 | F | 26.2 | Very low | 27 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 61% | 0.605 | 71% | 0.712 | S | S | * | * | cis | -157.7 | 165.5 | -0.4 | -90.1 | -54.8 | 0 | 0 | 0 | 104.7 | ||||
| 1655 | E | 25.5 | Very low | 26.7 | Very low | 137 Ų | 137 | 131.3 Ų | 131.3 | 64% | 0.64 | 72% | 0.715 | S | S | * | * | cis | -154.5 | 135.3 | -6 | -128 | 134.4 | -171.5 | 0 | 0 | 104.4 | ||||
| 1656 | N | 29.8 | Very low | 26.5 | Very low | 147 Ų | 147 | 132.4 Ų | 132.4 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | 34.4 | 101.8 | 86.6 | -82.7 | 5.9 | 0 | 0 | 0 | 115.4 | |||||
| 1657 | D | 26 | Very low | 26.3 | Very low | 144 Ų | 144 | 128.3 Ų | 128.3 | 77% | 0.77 | 73% | 0.726 | S | S | * | * | trans | -179.6 | 141.3 | 136.5 | -101.8 | 12.1 | 0 | 0 | 0 | 109.4 | ||||
| 1658 | N | 26.8 | Very low | 26.3 | Very low | 108 Ų | 108 | 131 Ų | 131 | 58% | 0.578 | 73% | 0.732 | S | S | * | * | cis | -149.8 | -174.3 | -9.7 | -138.1 | -35.5 | 0 | 0 | 0 | 111.7 | ||||
| 1659 | Q | 27 | Very low | 26.1 | Very low | 155 Ų | 155 | 132.3 Ų | 132.3 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | trans | -39 | 152.9 | 168.6 | -67.1 | 145.5 | 55.8 | 0 | 0 | 113.2 | ||||
| 1660 | D | 27.6 | Very low | 26.1 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | -156.1 | 172.3 | 50.5 | -128.1 | -33.1 | 0 | 0 | 0 | 119 | |||||
| 1661 | T | 26.3 | Very low | 26 | Very low | 107 Ų | 107 | 131 Ų | 131 | 66% | 0.656 | 75% | 0.747 | S | S | * | * | trans | -52 | 150.3 | -172.4 | 51 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1662 | S | 26.6 | Very low | 25.8 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | 59 | 147.1 | 132.2 | 66.7 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 1663 | S | 25.2 | Very low | 25.9 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 69% | 0.685 | 74% | 0.739 | S | S | * | * | cis | -169 | 176.9 | -6.8 | 46.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1664 | T | 24.9 | Very low | 25.7 | Very low | 117 Ų | 117 | 129.5 Ų | 129.5 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | trans | 65.4 | 99 | 148.3 | 38.7 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 1665 | S | 23.6 | Very low | 25.6 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 69% | 0.692 | 75% | 0.746 | S | S | * | * | 67.8 | 123.8 | 123.2 | 63.4 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 1666 | S | 22.9 | Very low | 25.5 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 86% | 0.86 | 76% | 0.756 | S | S | * | * | trans | 70.5 | 154.9 | 153.9 | 81.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1667 | A | 23.8 | Very low | 25.1 | Very low | 89 Ų | 89 | 128.3 Ų | 128.3 | 74% | 0.736 | 75% | 0.75 | S | S | * | * | cis | -139.7 | -164 | -3.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1668 | D | 28.2 | Very low | 25.2 | Very low | 160 Ų | 160 | 129.8 Ų | 129.8 | 86% | 0.856 | 75% | 0.749 | S | S | * | * | trans | -53.1 | 142 | 169.6 | -61.1 | -74 | 0 | 0 | 0 | 112.7 | ||||
| 1669 | L | 24 | Very low | 25.2 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 87% | 0.869 | 76% | 0.762 | S | S | * | * | trans | -153.3 | 132.9 | 137.3 | -115.2 | 172.6 | 0 | 0 | 0 | 111.4 | ||||
| 1670 | T | 26 | Very low | 25.1 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 82% | 0.816 | 76% | 0.758 | S | S | * | * | trans | -85.8 | 127.2 | 177.5 | 49.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1671 | S | 24.5 | Very low | 24.9 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | -147.5 | 149.5 | 161.1 | 53.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1672 | Q | 23.8 | Very low | 24.9 | Very low | 179 Ų | 179 | 131.3 Ų | 131.3 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -92.6 | -168.3 | 172.4 | -57.7 | -176.8 | 3.4 | 0 | 0 | 109.5 | ||||
| 1673 | P | 27.8 | Very low | 24.8 | Very low | 96 Ų | 96 | 133.7 Ų | 133.7 | 62% | 0.623 | 77% | 0.772 | S | S | * | * | -122.9 | 164.1 | -76.5 | 36.3 | -22.9 | 0 | 0 | 0 | 111.4 | |||||
| 1674 | I | 23.7 | Very low | 24.7 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 84% | 0.836 | 77% | 0.773 | S | S | * | * | trans | -122.5 | 112.1 | 155 | -62.6 | -176.1 | 0 | 0 | 0 | 108.8 | ||||
| 1675 | I | 23.5 | Very low | 24.7 | Very low | 134 Ų | 134 | 140.4 Ų | 140.4 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | trans | -78.6 | 122.7 | 174.3 | -61 | 165.2 | 0 | 0 | 0 | 107.6 | P1677 | I1675-P1677 HydrophobicContact CG2-CB 4.43Š| ||
| 1676 | L | 22.7 | Very low | 24.8 | Very low | 164 Ų | 164 | 142.6 Ų | 142.6 | 86% | 0.859 | 78% | 0.781 | S | S | * | * | trans | -108.9 | 113.6 | 152.9 | -74.8 | 177 | 0 | 0 | 0 | 107.2 | ||||
| 1677 | P | 22.5 | Very low | 24.9 | Very low | 100 Ų | 100 | 140.5 Ų | 140.5 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | trans | -77.1 | 157.7 | -167.7 | 31.4 | -36.2 | 0 | 0 | 0 | 112.1 | I1675 P1679 | I1675-P1677 HydrophobicContact CG2-CB 4.43Å; P1677-P1679 WeakPolarHBondContact O-CD 3.22Å | ||
| 1678 | K | 28.8 | Very low | 25 | Very low | 175 Ų | 175 | 145.3 Ų | 145.3 | 76% | 0.761 | 78% | 0.783 | S | S | * | * | trans | -71.1 | 132.2 | 151.7 | -64.8 | 178 | 178.3 | -179.2 | 0 | 108.8 | ||||
| 1679 | P | 26.5 | Very low | 24.9 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | trans | -96.4 | 82 | 159.4 | 34 | -26.6 | 0 | 0 | 0 | 109.5 | P1677 | P1677-P1679 WeakPolarHBondContact O-CD 3.22Š| ||
| 1680 | D | 24.3 | Very low | 25.1 | Very low | 122 Ų | 122 | 146.3 Ų | 146.3 | 65% | 0.652 | 77% | 0.773 | S | S | * | * | trans | -78.5 | 138.2 | 156.5 | -82.1 | -59.4 | 0 | 0 | 0 | 108.1 | ||||
| 1681 | S | 23.9 | Very low | 25 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | 56.2 | 103.9 | 169.5 | 53.1 | 0 | 0 | 0 | 0 | 120 | ||||
| 1682 | I | 26 | Very low | 25.2 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 90% | 0.897 | 76% | 0.762 | S | S | * | * | trans | -126.1 | 139.5 | 140.3 | -68.9 | -174.9 | 0 | 0 | 0 | 108.6 | ||||
| 1683 | Q | 24.1 | Very low | 25.3 | Very low | 155 Ų | 155 | 145.9 Ų | 145.9 | 72% | 0.724 | 75% | 0.752 | S | S | * | * | trans | -91.7 | 170.6 | -172.9 | -58.4 | 174 | -36 | 0 | 0 | 113 | ||||
| 1684 | Q | 23.6 | Very low | 25.3 | Very low | 153 Ų | 153 | 148.8 Ų | 148.8 | 72% | 0.715 | 76% | 0.761 | S | S | * | * | trans | 51.6 | 110.9 | 153.6 | -64.3 | 171.6 | 19.5 | 0 | 0 | 119.1 | ||||
| 1685 | Y | 24.8 | Very low | 25.4 | Very low | 203 Ų | 203 | 149 Ų | 149 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | -166.6 | 163.9 | 92 | -120.9 | -97.1 | 0 | 0 | 0 | 113.8 | |||||
| 1686 | N | 25.4 | Very low | 25.6 | Very low | 146 Ų | 146 | 148.9 Ų | 148.9 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | trans | -69.4 | 157.5 | -172 | -56.7 | -78.5 | 0 | 0 | 0 | 115.3 | ||||
| 1687 | G | 25.1 | Very low | 25.8 | Very low | 78 Ų | 78 | 147 Ų | 147 | 80% | 0.804 | 75% | 0.752 | S | S | * | * | trans | -167.6 | 19.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 1688 | K | 26.1 | Very low | 26 | Very low | 190 Ų | 190 | 146 Ų | 146 | 83% | 0.826 | 74% | 0.741 | S | S | * | * | trans | 29.6 | 126.5 | 159.4 | -73.3 | -179.4 | 176.6 | 177.3 | 0 | 122.2 | ||||
| 1689 | L | 25.2 | Very low | 25.9 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 68% | 0.681 | 73% | 0.727 | S | S | * | * | trans | 68.5 | 155.1 | 140.2 | -58.9 | 166.8 | 0 | 0 | 0 | 117.2 | ||||
| 1690 | Y | 28.1 | Very low | 25.9 | Very low | 217 Ų | 217 | 138.4 Ų | 138.4 | 85% | 0.851 | 70% | 0.701 | S | S | * | * | cis | -128.9 | 156.3 | 19.7 | -93.7 | -94.8 | 0 | 0 | 0 | 114.9 | ||||
| 1691 | D | 25.6 | Very low | 26 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 53% | 0.529 | 70% | 0.701 | S | S | . | * | trans | -110.6 | 139.6 | 168.7 | 161 | 41.6 | 0 | 0 | 0 | 109.2 | K1693 | D1691-K1693 IonicContact OD1-NZ 2.72Å; D1691-K1693 IonicContact OD2-NZ 2.91Å; D1691-K1693 PolarHBondContact OD2-NZ 3.16Å | ||
| 1692 | M | 27.2 | Very low | 26.1 | Very low | 179 Ų | 179 | 138.1 Ų | 138.1 | 88% | 0.882 | 68% | 0.683 | S | S | * | * | trans | -143.8 | 117.1 | 162.8 | -105.4 | -170.8 | 74 | 0 | 0 | 112.3 | ||||
| 1693 | K | 26.8 | Very low | 26.1 | Very low | 143 Ų | 143 | 132 Ų | 132 | 62% | 0.622 | 65% | 0.652 | S | S | * | * | trans | -88.8 | 173.6 | 177.9 | -53.6 | 175.4 | 174.7 | 69.5 | 0 | 111.6 | D1691 | D1691-K1693 IonicContact OD1-NZ 2.72Å; D1691-K1693 IonicContact OD2-NZ 2.91Å; D1691-K1693 PolarHBondContact OD2-NZ 3.16Å | ||
| 1694 | I | 26.6 | Very low | 26.3 | Very low | 157 Ų | 157 | 129.9 Ų | 129.9 | 81% | 0.805 | 64% | 0.637 | S | S | * | * | trans | 163.5 | 140.8 | 136.4 | -87.7 | 153.1 | 0 | 0 | 0 | 107.9 | ||||
| 1695 | K | 27.2 | Very low | 26.6 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 73% | 0.73 | 63% | 0.633 | S | S | * | * | cis | 174 | 144.4 | -29.3 | -115 | -173.3 | 174.9 | -178.7 | 0 | 107.7 | ||||
| 1696 | N | 27.9 | Very low | 26.6 | Very low | 132 Ų | 132 | 125.8 Ų | 125.8 | 71% | 0.706 | 63% | 0.633 | S | S | * | * | trans | 60.4 | 176.5 | 152.8 | -64.6 | 51.6 | 0 | 0 | 0 | 118 | ||||
| 1697 | T | 26.5 | Very low | 26.6 | Very low | 124 Ų | 124 | 125.2 Ų | 125.2 | 76% | 0.761 | 63% | 0.627 | S | S | * | * | cis | -143.5 | -155 | 11.5 | -31.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1698 | L | 26.5 | Very low | 26.6 | Very low | 80 Ų | 80 | 130.7 Ų | 130.7 | 42% | 0.419 | 62% | 0.624 | S | S | . | * | trans | -129.9 | -169.6 | -161.8 | -69 | 48.1 | 0 | 0 | 0 | 110.2 | A811 | A811-L1698 HydrophobicContact CB-CD2 3.6Å; A811-L1698 HydrophobicContact CB-CG 4.35Å | ||
| 1699 | D | 26.6 | Very low | 26.5 | Very low | 88 Ų | 88 | 129.8 Ų | 129.8 | 47% | 0.471 | 62% | 0.616 | S | S | . | * | cis | -160 | 158 | 10 | -141.7 | -26.6 | 0 | 0 | 0 | 115.4 | V813 S814 | V813-D1699 WeakPolarHBondContact CG1-OD1 3.4Å; S814-D1699 WeakPolarHBondContact CB-O 3.3Å; S814-D1699 PolarHBondContact OG-O 3.45Å | ||
| 1700 | D | 26.2 | Very low | 26.6 | Very low | 55 Ų | 55 | 130.7 Ų | 130.7 | 29% | 0.294 | 62% | 0.617 | S | S | . | * | trans | 51.5 | 151.1 | 160.5 | -118.7 | -29.4 | 0 | 0 | 0 | 130.6 | N815 | N815-D1700 WeakPolarHBondContact CB-O 3.34Š| ||
| 1701 | R | 25.9 | Very low | 26.4 | Very low | 173 Ų | 173 | 128.4 Ų | 128.4 | 65% | 0.653 | 61% | 0.611 | S | S | * | * | trans | 71.3 | 157.6 | 141.3 | -99.4 | 165.5 | -99.1 | -165.5 | 2.3 | 129.9 | N815 | N815-R1701 PolarHBondContact ND2-O 3.36Š| ||
| 1702 | S | 26.3 | Very low | 26.4 | Very low | 56 Ų | 56 | 129.9 Ų | 129.9 | 39% | 0.392 | 62% | 0.624 | S | S | . | * | trans | -102.2 | -174.3 | -149.9 | 69.4 | 0 | 0 | 0 | 0 | 117.2 | I817 | I817-S1702 CarbonylContact C-O 3.29Å; I817-S1702 CarbonylContact O-C 3.48Å | ||
| 1703 | D | 27.1 | Very low | 26.3 | Very low | 45 Ų | 45 | 124.8 Ų | 124.8 | 24% | 0.241 | 61% | 0.61 | C | S | . | * | cis | -147.4 | -78.2 | 23.9 | -130.6 | -96 | 0 | 0 | 0 | 119.2 | I817 S818 Y819 | I817-D1703 VanDerWaalsContact C-N 3.28Å; I817-D1703 WeakPolarHBondContact CB-O 3.5Å; I817-D1703 VanDerWaalsContact CD1-O 3.25Å; I817-D1703 WeakPolarHBondContact CD1-O 3.49Å; I817-D1703 WeakPolarHBondContact CG2-O 3.44Å; I817-D1703 PolarHBondContact O-N 3.37Å; S818-D1703 VanDerWaalsContact CA-N 3.32Å; Y819-D1703 HydrophobicContact CD2-CB 3.97Å | ||
| 1704 | R | 27.5 | Very low | 26.2 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 42% | 0.423 | 62% | 0.617 | S | S | . | * | trans | -166.5 | 153.2 | -169.5 | 7.1 | 168.4 | 178.6 | 122.1 | 28.6 | 120 | S818 Y819 S820 Q821 | S818-R1704 CarbonylContact C-O 3.27Å; S818-R1704 CarbonylContact O-C 3.19Å; S818-R1704 WeakPolarHBondContact O-CA 3.44Å; S818-R1704 PolarHBondContact O-N 2.81Å; Y819-R1704 CarbonylContact C-O 3.49Å; Y819-R1704 VanDerWaalsContact C-O 3.27Å; Y819-R1704 VanDerWaalsContact N-N 3.15Å; Y819-R1704 PolarHBondContact N-O 2.7Å; S820-R1704 PolarHBondContact O-NH2 2.72Å; S820-R1704 VanDerWaalsContact O-NH2 3.13Å; S820-R1704 PolarHBondContact OG-O 2.9Å; Q821-R1704 PolarHBondContact O-NH1 3.48Å | ||
| 1705 | N | 29.4 | Very low | 26 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 64% | 0.636 | 61% | 0.613 | S | S | * | * | trans | 98.6 | 167.1 | 151.2 | -62.6 | -35.4 | 0 | 0 | 0 | 123.1 | S820 | S820-N1705 PolarHBondContact OG-ND2 2.71Š| ||
| 1706 | L | 25.5 | Very low | 25.8 | Very low | 151 Ų | 151 | 122.1 Ų | 122.1 | 79% | 0.791 | 60% | 0.603 | S | S | * | * | trans | 80.3 | 139.6 | 178 | -78.5 | 72.2 | 0 | 0 | 0 | 116.5 | ||||
| 1707 | M | 24.4 | Very low | 25.7 | Very low | 133 Ų | 133 | 122.9 Ų | 122.9 | 66% | 0.655 | 60% | 0.603 | S | S | * | * | cis | -141.7 | 150.4 | -5.1 | -92 | -100.8 | -174.7 | 0 | 0 | 107.8 | ||||
| 1708 | R | 25.1 | Very low | 25.6 | Very low | 194 Ų | 194 | 121.8 Ų | 121.8 | 73% | 0.732 | 60% | 0.596 | S | S | * | * | 48.6 | 140.3 | 79.7 | -80.4 | 173.4 | 175.3 | -176.6 | 2.5 | 113.2 | |||||
| 1709 | Y | 24.9 | Very low | 25.7 | Very low | 170 Ų | 170 | 126.1 Ų | 126.1 | 67% | 0.667 | 61% | 0.614 | S | S | * | * | cis | -165.1 | 168.3 | 14 | -134.4 | -59 | 0 | 0 | 0 | 110.9 | ||||
| 1710 | H | 26.4 | Very low | 26.2 | Very low | 150 Ų | 150 | 126.8 Ų | 126.8 | 69% | 0.694 | 62% | 0.623 | S | S | * | * | trans | 80.3 | 136.5 | 163.2 | -58.8 | -66.9 | 0 | 0 | 0 | 118.3 | ||||
| 1711 | K | 25.2 | Very low | 26.2 | Very low | 169 Ų | 169 | 130.6 Ų | 130.6 | 74% | 0.735 | 64% | 0.643 | S | S | * | * | cis | 102.9 | 120.1 | 14.2 | -170.1 | -174.9 | -176.6 | -175.6 | 0 | 113.9 | ||||
| 1712 | T | 24.6 | Very low | 26.2 | Very low | 130 Ų | 130 | 131.6 Ų | 131.6 | 80% | 0.798 | 65% | 0.647 | S | S | * | * | trans | 61.5 | 157.1 | 167.8 | 43.6 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1713 | A | 25.2 | Very low | 26.2 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 59% | 0.587 | 66% | 0.659 | S | S | * | * | cis | -170.9 | 170.6 | -23.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1714 | N | 24.4 | Very low | 26 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 76% | 0.759 | 68% | 0.677 | S | S | * | * | trans | 67.9 | 161.6 | 163.4 | -55.9 | -20.9 | 0 | 0 | 0 | 115.7 | ||||
| 1715 | F | 22.9 | Very low | 25.8 | Very low | 166 Ų | 166 | 143.3 Ų | 143.3 | 73% | 0.728 | 70% | 0.699 | S | S | * | * | cis | -156.3 | 166.3 | -11.6 | -127.2 | -149.5 | 0 | 0 | 0 | 109.6 | ||||
| 1716 | I | 24.1 | Very low | 25.6 | Very low | 104 Ų | 104 | 142.1 Ų | 142.1 | 53% | 0.533 | 70% | 0.7 | S | S | . | * | trans | 26.8 | 125.9 | 139.2 | -64.8 | -175.8 | 0 | 0 | 0 | 117.7 | ||||
| 1717 | Q | 25.6 | Very low | 25.5 | Very low | 148 Ų | 148 | 142 Ų | 142 | 69% | 0.692 | 70% | 0.7 | S | S | * | * | -164.3 | 148.1 | 81.7 | -134 | 153.9 | 14.5 | 0 | 0 | 115 | |||||
| 1718 | T | 24.8 | Very low | 25.5 | Very low | 102 Ų | 102 | 141 Ų | 141 | 63% | 0.626 | 70% | 0.697 | S | S | * | * | trans | 11.5 | 155.8 | 143.7 | 65 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 1719 | H | 27.3 | Very low | 25.4 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 79% | 0.792 | 70% | 0.7 | S | S | * | * | cis | -162 | 158.8 | -10.3 | -110.7 | -56.4 | 0 | 0 | 0 | 108.6 | ||||
| 1720 | P | 38.2 | Very low | 25.4 | Very low | 102 Ų | 102 | 141.3 Ų | 141.3 | 66% | 0.662 | 71% | 0.705 | S | S | * | * | trans | -100.6 | 167.9 | 176.7 | 39.4 | -33.2 | 0 | 0 | 0 | 113.3 | ||||
| 1721 | N | 26.3 | Very low | 25.3 | Very low | 134 Ų | 134 | 140.5 Ų | 140.5 | 72% | 0.717 | 71% | 0.706 | S | S | * | * | trans | -165.6 | 136.7 | 157.2 | -105 | -38.7 | 0 | 0 | 0 | 113.1 | ||||
| 1722 | R | 25.3 | Very low | 25.3 | Very low | 195 Ų | 195 | 137.3 Ų | 137.3 | 74% | 0.736 | 71% | 0.705 | S | S | * | * | trans | 56.5 | 153 | 135.2 | -61.3 | 172.2 | -176.3 | -119.6 | 11.1 | 120.3 | ||||
| 1723 | E | 25.3 | Very low | 25.4 | Very low | 135 Ų | 135 | 138.6 Ų | 138.6 | 63% | 0.631 | 71% | 0.707 | S | S | * | * | cis | -154 | 124.6 | -11.7 | -113.3 | 150.4 | -158.4 | 0 | 0 | 105.9 | ||||
| 1724 | S | 23.3 | Very low | 25.4 | Very low | 90 Ų | 90 | 140.5 Ų | 140.5 | 63% | 0.629 | 71% | 0.713 | S | S | * | * | 77.3 | 133.7 | 94.3 | 97.8 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 1725 | R | 24 | Very low | 25.5 | Very low | 234 Ų | 234 | 142 Ų | 142 | 88% | 0.883 | 72% | 0.72 | S | S | * | * | trans | 67.8 | 143.1 | 160.3 | -59.5 | 174.2 | 179.9 | -174.2 | -0.3 | 116.9 | ||||
| 1726 | S | 24.6 | Very low | 25.6 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 66% | 0.657 | 73% | 0.726 | S | S | * | * | cis | -179.3 | 165.4 | -15.2 | 44.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1727 | L | 23.7 | Very low | 25.7 | Very low | 149 Ų | 149 | 143.5 Ų | 143.5 | 78% | 0.78 | 73% | 0.727 | S | S | * | * | trans | 79.9 | 132.2 | 165.6 | -72.8 | 121 | 0 | 0 | 0 | 120.8 | ||||
| 1728 | D | 23.8 | Very low | 25.7 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | trans | 67.4 | 120.2 | 142.3 | -76.9 | 20.4 | 0 | 0 | 0 | 125.2 | ||||
| 1729 | R | 24.4 | Very low | 25.9 | Very low | 211 Ų | 211 | 143.9 Ų | 143.9 | 80% | 0.796 | 72% | 0.724 | S | S | * | * | 44.2 | 117.7 | 126.7 | -54.9 | 172.5 | 177.1 | 176.6 | 0.8 | 116.6 | |||||
| 1730 | M | 24.1 | Very low | 26 | Very low | 159 Ų | 159 | 143.5 Ų | 143.5 | 78% | 0.783 | 72% | 0.722 | S | S | * | * | -166.3 | 160.1 | 54 | -82.8 | -163.8 | 172.8 | 0 | 0 | 113.6 | |||||
| 1731 | N | 25.3 | Very low | 25.6 | Very low | 133 Ų | 133 | 143.9 Ų | 143.9 | 71% | 0.711 | 72% | 0.723 | S | S | * | * | trans | 44.5 | 131.8 | 139.9 | -58.9 | -12 | 0 | 0 | 0 | 123.3 | ||||
| 1732 | S | 25.5 | Very low | 25.8 | Very low | 102 Ų | 102 | 146.1 Ų | 146.1 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | trans | 59.8 | 115.5 | 137.3 | 63.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1733 | N | 25.1 | Very low | 26 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 84% | 0.84 | 72% | 0.72 | S | S | * | * | -155.9 | 132 | 116 | -108.2 | -52 | 0 | 0 | 0 | 111.3 | |||||
| 1734 | P | 26.5 | Very low | 26.3 | Very low | 111 Ų | 111 | 143 Ų | 143 | 72% | 0.721 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 132.2 | 169.9 | 32.2 | -31.7 | 0 | 0 | 0 | 110.4 | K1736 | P1734-K1736 PolarHBondContact O-N 2.97Š|
| 1735 | L | 25.3 | Very low | 26.8 | Very low | 173 Ų | 173 | 145.5 Ų | 145.5 | 91% | 0.906 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 125.3 | 176.5 | -81.5 | 168 | 0 | 0 | 0 | 111.1 | I1737 | L1735-I1737 PolarHBondContact O-N 2.68Š|
| 1736 | K | 24.9 | Very low | 27.3 | Very low | 194 Ų | 194 | 140.3 Ų | 140.3 | 84% | 0.843 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 118.5 | 175.2 | -72.8 | 178.8 | 176.1 | 176.2 | 0 | 110.4 | P1734 | P1734-K1736 PolarHBondContact O-N 2.97Š|
| 1737 | I | 27.4 | Very low | 27.5 | Very low | 109 Ų | 109 | 138.6 Ų | 138.6 | 56% | 0.559 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 120.2 | 156.1 | -61.7 | 178.3 | 0 | 0 | 0 | 107 | L1735 | L1735-I1737 PolarHBondContact O-N 2.68Š|
| 1738 | V | 25.5 | Very low | 27.9 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 67% | 0.673 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 121.3 | 179.6 | 177.4 | 0 | 0 | 0 | 0 | 109.2 | ||
| 1739 | Y | 27.4 | Very low | 28.3 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 58% | 0.576 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 122.4 | 169.4 | -63.5 | -84.2 | 0 | 0 | 0 | 109.5 | P1750 V1752 | Y1739-P1750 HydrophobicContact CE1-CB 4.47Å; Y1739-V1752 HydrophobicContact CE1-CG2 4.43Å |
| 1740 | Q | 29.6 | Very low | 28.5 | Very low | 162 Ų | 162 | 133 Ų | 133 | 76% | 0.757 | 68% | 0.681 | S | S | * | * | trans | -113.9 | 107.3 | 170.9 | -168.2 | 177.2 | 23.9 | 0 | 0 | 109.6 | K1742 | Q1740-K1742 PolarHBondContact O-N 3.21Š| ||
| 1741 | T | 30.5 | Very low | 28.9 | Very low | 110 Ų | 110 | 131.6 Ų | 131.6 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | trans | -74.3 | 114.3 | 176.9 | 48.3 | 0 | 0 | 0 | 0 | 110.6 | I1748 | T1741-I1748 HydrophobicContact CG2-CG2 4.24Š| ||
| 1742 | K | 30 | Very low | 29.1 | Very low | 182 Ų | 182 | 129.6 Ų | 129.6 | 79% | 0.791 | 66% | 0.664 | S | S | * | * | trans | -104.5 | 116 | 168.3 | -165.7 | 175.1 | -175.2 | -179.7 | 0 | 109 | Q1740 | Q1740-K1742 PolarHBondContact O-N 3.21Š| ||
| 1743 | R | 29.3 | Very low | 29.3 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 60% | 0.6 | 65% | 0.654 | S | S | * | * | trans | -82.4 | 121.6 | -174.7 | -154.5 | -179.9 | -164 | -171.5 | 2.7 | 110.2 | E1790 | R1743-E1790 IonicContact CZ-OE1 3.63Å; R1743-E1790 VanDerWaalsContact CZ-OE1 3.28Å; R1743-E1790 IonicContact CZ-OE2 2.78Å; R1743-E1790 IonicContact NE-OE1 3.72Å; R1743-E1790 IonicContact NE-OE2 3.85Å; R1743-E1790 IonicContact NH1-OE1 2.64Å; R1743-E1790 IonicContact NH1-OE2 2.65Å; R1743-E1790 PolarHBondContact NH1-OE2 2.93Å; R1743-E1790 IonicContact NH2-OE1 3.64Å; R1743-E1790 PolarHBondContact NH2-OE1 3.03Å; R1743-E1790 IonicContact NH2-OE2 3.75Å; R1743-E1790 PolarHBondContact NH2-OE2 3.13Å | ||
| 1744 | I | 31.9 | Very low | 29.3 | Very low | 106 Ų | 106 | 127.6 Ų | 127.6 | 54% | 0.544 | 65% | 0.651 | S | S | . | * | B | Isolated β-bridge | trans | -141.6 | 133.4 | 170.5 | -56 | 179.4 | 0 | 0 | 0 | 105.4 | N1746 | I1744-N1746 PolarHBondContact O-N 2.95Å |
| 1745 | D | 33.9 | Very low | 29.3 | Very low | 142 Ų | 142 | 128.1 Ų | 128.1 | 76% | 0.759 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 43.9 | 58.1 | 171.8 | -50.9 | -20.8 | 0 | 0 | 0 | 115 | T1747 | D1745-T1747 PolarHBondContact O-N 3.2Å; D1745-T1747 PolarHBondContact O-OG1 3.43Å |
| 1746 | N | 35.5 | Very low | 29.3 | Very low | 125 Ų | 125 | 127.3 Ų | 127.3 | 67% | 0.668 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.4 | 15.3 | 170.5 | -67 | 13 | 0 | 0 | 0 | 117.7 | I1744 E1790 | I1744-N1746 PolarHBondContact O-N 2.95Å; N1746-E1790 PolarHBondContact OD1-OE1 3.42Å |
| 1747 | T | 28.7 | Very low | 29.3 | Very low | 57 Ų | 57 | 123.6 Ų | 123.6 | 35% | 0.35 | 64% | 0.644 | S | S | . | * | B | Isolated β-bridge | trans | -120.6 | 124.3 | -175.3 | -47 | 0 | 0 | 0 | 0 | 111 | D1745 Y1749 | D1745-T1747 PolarHBondContact O-N 3.2Å; D1745-T1747 PolarHBondContact O-OG1 3.43Å; T1747-Y1749 HydrophobicContact CG2-CD2 4.2Å; T1747-Y1749 HydrophobicContact CG2-CE1 4.38Å; T1747-Y1749 HydrophobicContact CG2-CE2 3.53Å |
| 1748 | I | 31.9 | Very low | 29.2 | Very low | 139 Ų | 139 | 126.1 Ų | 126.1 | 71% | 0.713 | 65% | 0.653 | S | S | * | * | trans | -90 | 113.9 | -179.2 | -57.6 | 177.7 | 0 | 0 | 0 | 109.9 | T1741 | T1741-I1748 HydrophobicContact CG2-CG2 4.24Š| ||
| 1749 | Y | 30.8 | Very low | 29.2 | Very low | 113 Ų | 113 | 125.9 Ų | 125.9 | 44% | 0.443 | 66% | 0.657 | S | S | . | * | trans | -104.8 | 125.4 | 176.5 | -68.9 | -84.2 | 0 | 0 | 0 | 112 | L6 T1747 H1751 | L6-Y1749 WeakPolarHBondContact CD1-OH 3.12Å; T1747-Y1749 HydrophobicContact CG2-CD2 4.2Å; T1747-Y1749 HydrophobicContact CG2-CE1 4.38Å; T1747-Y1749 HydrophobicContact CG2-CE2 3.53Å; Y1749-H1751 PolarHBondContact O-N 3.47Å; Y1749-H1751 VanDerWaalsContact O-N 3.16Å | ||
| 1750 | P | 30.4 | Very low | 29.2 | Very low | 103 Ų | 103 | 124.2 Ų | 124.2 | 67% | 0.669 | 66% | 0.664 | S | S | * | * | trans | -77.7 | 96.9 | 170.6 | 30.7 | -32.2 | 0 | 0 | 0 | 110.2 | Y1739 V1752 | Y1739-P1750 HydrophobicContact CE1-CB 4.47Å; P1750-V1752 PolarHBondContact O-N 3.29Å | ||
| 1751 | H | 31.4 | Very low | 29 | Very low | 128 Ų | 128 | 122.7 Ų | 122.7 | 59% | 0.593 | 67% | 0.665 | S | S | * | * | trans | -81.1 | 114.7 | 177.8 | -134.1 | -61.1 | 0 | 0 | 0 | 110.8 | Y1749 | Y1749-H1751 PolarHBondContact O-N 3.47Å; Y1749-H1751 VanDerWaalsContact O-N 3.16Å | ||
| 1752 | V | 29.3 | Very low | 28.7 | Very low | 91 Ų | 91 | 124.4 Ų | 124.4 | 55% | 0.552 | 67% | 0.669 | S | S | * | * | trans | -87.4 | 122.4 | 166.4 | -179.9 | 0 | 0 | 0 | 0 | 108.2 | Y1739 P1750 | Y1739-V1752 HydrophobicContact CE1-CG2 4.43Å; P1750-V1752 PolarHBondContact O-N 3.29Å | ||
| 1753 | I | 29.9 | Very low | 28.4 | Very low | 99 Ų | 99 | 122.4 Ų | 122.4 | 51% | 0.508 | 67% | 0.666 | S | S | . | * | trans | -97.9 | 125.9 | 174.5 | -60.1 | 174.2 | 0 | 0 | 0 | 107.9 | V1755 | I1753-V1755 VanDerWaalsContact C-N 3.34Å; I1753-V1755 HydrophobicContact CG2-CG2 4.32Å; I1753-V1755 PolarHBondContact O-N 3.47Å | ||
| 1754 | P | 26.3 | Very low | 28.1 | Very low | 119 Ų | 119 | 123.2 Ų | 123.2 | 77% | 0.773 | 67% | 0.674 | S | S | * | * | trans | -71.4 | 92.9 | 166.8 | 30.1 | -32 | 0 | 0 | 0 | 108.6 | M1756 | P1754-M1756 PolarHBondContact O-N 3.34Š| ||
| 1755 | V | 25.8 | Very low | 27.8 | Very low | 122 Ų | 122 | 124.8 Ų | 124.8 | 74% | 0.739 | 69% | 0.688 | S | S | * | * | trans | -70.1 | 113.1 | 175 | 177.8 | 0 | 0 | 0 | 0 | 108.5 | I1753 S1757 | I1753-V1755 VanDerWaalsContact C-N 3.34Å; I1753-V1755 HydrophobicContact CG2-CG2 4.32Å; I1753-V1755 PolarHBondContact O-N 3.47Å; V1755-S1757 PolarHBondContact O-N 2.93Å; V1755-S1757 VanDerWaalsContact O-N 3.13Å | ||
| 1756 | M | 24.1 | Very low | 27.5 | Very low | 155 Ų | 155 | 123.4 Ų | 123.4 | 76% | 0.764 | 69% | 0.69 | S | S | * | * | trans | -63.2 | 110.7 | 166 | -72.6 | 172.9 | 56.7 | 0 | 0 | 108.7 | P1754 E1758 | P1754-M1756 PolarHBondContact O-N 3.34Å; M1756-E1758 VanDerWaalsContact C-N 3.3Å; M1756-E1758 PolarHBondContact O-N 3.34Å | ||
| 1757 | S | 25.7 | Very low | 27 | Very low | 116 Ų | 116 | 125 Ų | 125 | 81% | 0.811 | 70% | 0.698 | S | S | * | * | trans | -78.8 | 81.2 | 172.1 | 60.7 | 0 | 0 | 0 | 0 | 109.6 | V1755 | V1755-S1757 PolarHBondContact O-N 2.93Å; V1755-S1757 VanDerWaalsContact O-N 3.13Å | ||
| 1758 | E | 24.7 | Very low | 27 | Very low | 162 Ų | 162 | 129.8 Ų | 129.8 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | trans | -61.1 | 134.4 | 168.3 | -65.5 | -173.3 | 151 | 0 | 0 | 110 | M1756 | M1756-E1758 VanDerWaalsContact C-N 3.3Å; M1756-E1758 PolarHBondContact O-N 3.34Å | ||
| 1759 | S | 26.5 | Very low | 26.9 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 75% | 0.748 | 71% | 0.711 | S | S | * | * | trans | -72.2 | 124.1 | 176.3 | 50.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1760 | P | 27.7 | Very low | 26.8 | Very low | 111 Ų | 111 | 130.4 Ų | 130.4 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | trans | -87.6 | 174.4 | -171.1 | 35 | -37.1 | 0 | 0 | 0 | 114.3 | ||||
| 1761 | V | 25.1 | Very low | 26.8 | Very low | 131 Ų | 131 | 131.5 Ų | 131.5 | 79% | 0.794 | 73% | 0.731 | S | S | * | * | trans | 70.2 | 127.4 | 172 | -137.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1762 | I | 24 | Very low | 26.6 | Very low | 146 Ų | 146 | 136 Ų | 136 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | -150.7 | 145.2 | 52 | -73.9 | 163.3 | 0 | 0 | 0 | 112.4 | |||||
| 1763 | L | 22.8 | Very low | 26.7 | Very low | 140 Ų | 140 | 143.2 Ų | 143.2 | 73% | 0.733 | 76% | 0.76 | S | S | * | * | trans | -0.2 | 145.2 | 149.3 | -53 | 168.7 | 0 | 0 | 0 | 117.6 | ||||
| 1764 | K | 23.9 | Very low | 26.6 | Very low | 175 Ų | 175 | 145.5 Ų | 145.5 | 76% | 0.761 | 77% | 0.774 | S | S | * | * | cis | -172.9 | 169.2 | 33.3 | -136.7 | 161.6 | -171.8 | 178.3 | 0 | 110.8 | ||||
| 1765 | T | 26.3 | Very low | 27.4 | Very low | 139 Ų | 139 | 144.9 Ų | 144.9 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | 68.2 | 144.2 | 171.4 | 69.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1766 | S | 27.7 | Very low | 27.5 | Very low | 114 Ų | 114 | 148.3 Ų | 148.3 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | cis | -144.5 | 154.2 | -15.6 | -171.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1767 | L | 24.7 | Very low | 27.6 | Very low | 157 Ų | 157 | 147.8 Ų | 147.8 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | -67.6 | 150.5 | 158.2 | -105.6 | 70.6 | 0 | 0 | 0 | 110.6 | ||||
| 1768 | K | 29 | Very low | 27.6 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 69% | 0.691 | 77% | 0.77 | S | S | * | * | -164 | 133.6 | 120.5 | -106.7 | 178.8 | 168.1 | -74 | 0 | 111.3 | |||||
| 1769 | E | 28.3 | Very low | 27.7 | Very low | 139 Ų | 139 | 144.5 Ų | 144.5 | 65% | 0.65 | 76% | 0.764 | S | S | * | * | trans | 43.6 | 130.9 | 139.5 | -68.8 | 142.5 | -160.7 | 0 | 0 | 119.7 | ||||
| 1770 | T | 29.2 | Very low | 27.6 | Very low | 125 Ų | 125 | 149.7 Ų | 149.7 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | cis | -153.8 | -169.4 | 0.4 | -2.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1771 | T | 31.1 | Very low | 27.6 | Very low | 127 Ų | 127 | 154.1 Ų | 154.1 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | cis | -146.8 | -163 | 21.6 | -31 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1772 | R | 26.8 | Very low | 27.6 | Very low | 222 Ų | 222 | 158.9 Ų | 158.9 | 84% | 0.838 | 77% | 0.773 | S | S | * | * | trans | -135 | 160.8 | 173 | -68.1 | 169.5 | 167.8 | 172 | -7.1 | 108.1 | ||||
| 1773 | R | 30.3 | Very low | 27.7 | Very low | 242 Ų | 242 | 156.9 Ų | 156.9 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | 168.7 | 164.5 | 88.7 | -83.3 | -179.9 | -175.1 | -173.7 | 2.1 | 107.3 | |||||
| 1774 | N | 29.5 | Very low | 27.9 | Very low | 148 Ų | 148 | 156.3 Ų | 156.3 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | cis | -164.8 | 158.3 | -36.8 | -143.5 | 28.9 | 0 | 0 | 0 | 106.4 | ||||
| 1775 | P | 43.2 | Very low | 28 | Very low | 106 Ų | 106 | 154.8 Ų | 154.8 | 69% | 0.688 | 78% | 0.78 | S | S | * | * | trans | -94.7 | 164.2 | -169.3 | 37.1 | -36.1 | 0 | 0 | 0 | 114.7 | ||||
| 1776 | K | 27.1 | Very low | 28.1 | Very low | 193 Ų | 193 | 153 Ų | 153 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | 176 | 154.5 | 141.7 | -102.1 | 168.3 | -179.7 | -174.8 | 0 | 116.3 | ||||
| 1777 | L | 25.9 | Very low | 28.1 | Very low | 144 Ų | 144 | 153.1 Ų | 153.1 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | 70.6 | 115.3 | 146.5 | -95.4 | 76.9 | 0 | 0 | 0 | 124.5 | ||||
| 1778 | V | 26.3 | Very low | 28.2 | Very low | 119 Ų | 119 | 153.2 Ų | 153.2 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | 82.1 | 102 | 114.4 | 166 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 1779 | S | 26 | Very low | 28 | Very low | 91 Ų | 91 | 151.1 Ų | 151.1 | 64% | 0.636 | 78% | 0.777 | S | S | * | * | 85.2 | 141.8 | 128.1 | 83.2 | 0 | 0 | 0 | 0 | 124.5 | |||||
| 1780 | R | 25.7 | Very low | 27.9 | Very low | 215 Ų | 215 | 149.2 Ų | 149.2 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | 62.4 | 145.9 | 145.8 | -70.6 | 171.6 | 176 | -177.3 | -0.1 | 117.5 | ||||
| 1781 | R | 26.3 | Very low | 27.7 | Very low | 205 Ų | 205 | 146.9 Ų | 146.9 | 77% | 0.774 | 77% | 0.77 | S | S | * | * | cis | -159.5 | 132.8 | 7.7 | -130.7 | 174.1 | -171.9 | -176.6 | 1.6 | 111.3 | ||||
| 1782 | R | 25.5 | Very low | 27.4 | Very low | 231 Ų | 231 | 146.1 Ų | 146.1 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | trans | 43.8 | 155.6 | 146.3 | -72.9 | -171.3 | 174.2 | -173 | -2.5 | 124 | ||||
| 1783 | S | 26.6 | Very low | 27.3 | Very low | 104 Ų | 104 | 146 Ų | 146 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | 76.5 | 136.9 | 150.5 | 34.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1784 | T | 26.2 | Very low | 27.1 | Very low | 127 Ų | 127 | 139.1 Ų | 139.1 | 78% | 0.779 | 75% | 0.75 | S | S | * | * | cis | -172.7 | 159.4 | -19.4 | 21 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1785 | V | 26.4 | Very low | 26.9 | Very low | 143 Ų | 143 | 140 Ų | 140 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | trans | 70 | 142.2 | 172.3 | -171.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1786 | S | 27.9 | Very low | 26 | Very low | 103 Ų | 103 | 144.7 Ų | 144.7 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | cis | -132.9 | 157.1 | 2.1 | -165.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1787 | P | 29.1 | Very low | 26.1 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | trans | -92.1 | 142.7 | -177.6 | 35.2 | -33.3 | 0 | 0 | 0 | 114.4 | ||||
| 1788 | D | 26 | Very low | 26.1 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 86% | 0.856 | 75% | 0.752 | S | S | * | * | trans | -144.8 | 146.8 | 160.6 | -107.9 | -45.4 | 0 | 0 | 0 | 109.1 | ||||
| 1789 | S | 25.4 | Very low | 26.2 | Very low | 114 Ų | 114 | 139.5 Ų | 139.5 | 80% | 0.797 | 75% | 0.746 | S | S | * | * | S | Bend | trans | 68.2 | 136.2 | -177.8 | 75.5 | 0 | 0 | 0 | 0 | 118.9 | ||
| 1790 | E | 24.6 | Very low | 26.3 | Very low | 100 Ų | 100 | 144.4 Ų | 144.4 | 47% | 0.467 | 76% | 0.759 | S | S | . | * | trans | 43.2 | 113.3 | 161.6 | -58.2 | -161.9 | 138.6 | 0 | 0 | 121.3 | R1743 N1746 | R1743-E1790 IonicContact CZ-OE1 3.63Å; R1743-E1790 VanDerWaalsContact CZ-OE1 3.28Å; R1743-E1790 IonicContact CZ-OE2 2.78Å; R1743-E1790 IonicContact NE-OE1 3.72Å; R1743-E1790 IonicContact NE-OE2 3.85Å; R1743-E1790 IonicContact NH1-OE1 2.64Å; R1743-E1790 IonicContact NH1-OE2 2.65Å; R1743-E1790 PolarHBondContact NH1-OE2 2.93Å; R1743-E1790 IonicContact NH2-OE1 3.64Å; R1743-E1790 PolarHBondContact NH2-OE1 3.03Å; R1743-E1790 IonicContact NH2-OE2 3.75Å; R1743-E1790 PolarHBondContact NH2-OE2 3.13Å; N1746-E1790 PolarHBondContact OD1-OE1 3.42Å | ||
| 1791 | G | 25.8 | Very low | 26.9 | Very low | 76 Ų | 76 | 140 Ų | 140 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | trans | -124.4 | 120.8 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1792 | V | 24.8 | Very low | 27.1 | Very low | 111 Ų | 111 | 133.8 Ų | 133.8 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | trans | -107.9 | 141.5 | 169.9 | 172.1 | 0 | 0 | 0 | 0 | 108.6 | V1794 | V1792-V1794 HydrophobicContact CG1-CG2 4.2Š| ||
| 1793 | Y | 25 | Very low | 27.3 | Very low | 218 Ų | 218 | 128.5 Ų | 128.5 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | trans | -119.3 | 158.7 | 162.5 | -88.2 | -81.9 | 0 | 0 | 0 | 112.1 | ||||
| 1794 | V | 26.3 | Very low | 27.5 | Very low | 98 Ų | 98 | 130.2 Ų | 130.2 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | trans | -135.6 | -179.8 | -155.9 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | V1792 | V1792-V1794 HydrophobicContact CG1-CG2 4.2Š| ||
| 1795 | F | 24.8 | Very low | 27.6 | Very low | 166 Ų | 166 | 130.6 Ų | 130.6 | 73% | 0.728 | 75% | 0.75 | S | S | * | * | trans | 105 | 137.5 | 157.9 | -54.8 | -57.4 | 0 | 0 | 0 | 115.6 | ||||
| 1796 | R | 25.2 | Very low | 27.7 | Very low | 206 Ų | 206 | 129.1 Ų | 129.1 | 78% | 0.777 | 74% | 0.742 | S | S | * | * | cis | -167.5 | 130.8 | -8.7 | 172.3 | -178.6 | -141.5 | 165 | 2.7 | 112.8 | ||||
| 1797 | I | 27.8 | Very low | 27.7 | Very low | 143 Ų | 143 | 129 Ų | 129 | 73% | 0.733 | 74% | 0.741 | S | S | * | * | trans | 18.5 | 129.7 | 139.3 | -41.9 | 165.4 | 0 | 0 | 0 | 118.7 | ||||
| 1798 | V | 26.8 | Very low | 27.6 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 88% | 0.879 | 74% | 0.743 | S | S | * | * | -175 | 134.8 | 121 | 162.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1799 | G | 28.6 | Very low | 27.7 | Very low | 58 Ų | 58 | 131.4 Ų | 131.4 | 60% | 0.598 | 75% | 0.747 | S | S | * | * | 118.7 | 72.1 | 127.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 1800 | E | 28.4 | Very low | 27.7 | Very low | 195 Ų | 195 | 135 Ų | 135 | 91% | 0.911 | 75% | 0.748 | S | S | * | * | 73.1 | 160.2 | 127.4 | -57 | -96.7 | 111.4 | 0 | 0 | 122 | |||||
| 1801 | P | 37 | Very low | 28.1 | Very low | 121 Ų | 121 | 136 Ų | 136 | 79% | 0.786 | 76% | 0.763 | S | S | * | * | trans | -127.6 | 175.7 | -160.4 | 42 | -25.7 | 0 | 0 | 0 | 116.7 | ||||
| 1802 | G | 31.5 | Very low | 28.1 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | trans | -154.7 | 117.6 | 175 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1803 | T | 29.9 | Very low | 28 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 73% | 0.73 | 77% | 0.772 | S | S | * | * | trans | -47.7 | 148.9 | 178 | 47.3 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1804 | D | 29.8 | Very low | 28 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 75% | 0.749 | 77% | 0.765 | S | S | * | * | trans | 56.6 | 152.7 | 134.2 | -51.2 | -20.8 | 0 | 0 | 0 | 120.2 | ||||
| 1805 | N | 29 | Very low | 28 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | cis | -158.6 | 171.8 | 32.9 | -142.9 | -45.5 | 0 | 0 | 0 | 114.7 | ||||
| 1806 | T | 28.3 | Very low | 28.2 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 69% | 0.693 | 77% | 0.773 | S | S | * | * | trans | -43.8 | 148.4 | 175.4 | 54.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1807 | S | 27.3 | Very low | 28.6 | Very low | 101 Ų | 101 | 133.1 Ų | 133.1 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | 162 | 143.7 | 92.8 | 56 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1808 | N | 26.9 | Very low | 28.4 | Very low | 147 Ų | 147 | 130.6 Ų | 130.6 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | 19.3 | 131.6 | 144.4 | -51.7 | -40.4 | 0 | 0 | 0 | 121.7 | ||||
| 1809 | L | 28.1 | Very low | 28.5 | Very low | 178 Ų | 178 | 129.4 Ų | 129.4 | 93% | 0.932 | 74% | 0.74 | S | S | * | * | -160.5 | 176.7 | 96.2 | -104.7 | 167 | 0 | 0 | 0 | 112.8 | |||||
| 1810 | K | 25 | Very low | 28.3 | Very low | 188 Ų | 188 | 134 Ų | 134 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | trans | -109.4 | 160.5 | -158.5 | -89.8 | -177 | 176.7 | 178 | 0 | 114.9 | ||||
| 1811 | P | 34.2 | Very low | 28.3 | Very low | 122 Ų | 122 | 132 Ų | 132 | 79% | 0.792 | 75% | 0.746 | S | S | * | * | trans | -80.7 | 157.1 | -179.2 | 34.5 | -37.2 | 0 | 0 | 0 | 113.5 | ||||
| 1812 | V | 25.3 | Very low | 27.7 | Very low | 141 Ų | 141 | 133.1 Ų | 133.1 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | trans | -136.8 | 146.9 | 169.1 | -178.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1813 | F | 23.5 | Very low | 27.3 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 79% | 0.789 | 74% | 0.736 | S | S | * | * | trans | -74.9 | 148.4 | 178 | -73.4 | -130.1 | 0 | 0 | 0 | 111.5 | ||||
| 1814 | N | 24.7 | Very low | 27.1 | Very low | 133 Ų | 133 | 137.4 Ų | 137.4 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | 167.9 | 155.4 | 109.2 | -92.4 | -36.1 | 0 | 0 | 0 | 114.8 | |||||
| 1815 | Q | 26.8 | Very low | 26.9 | Very low | 173 Ų | 173 | 137.1 Ų | 137.1 | 81% | 0.808 | 73% | 0.726 | S | S | * | * | trans | 59.6 | 114.6 | 144.7 | -69.7 | 162.6 | 0.5 | 0 | 0 | 120.7 | ||||
| 1816 | T | 29.1 | Very low | 26.7 | Very low | 109 Ų | 109 | 136.3 Ų | 136.3 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | trans | -63.4 | 173.4 | 145.5 | 48.8 | 0 | 0 | 0 | 0 | 111.1 | I1525 | I1525-T1816 HydrophobicContact CD1-CG2 4.3Å; I1525-T1816 WeakPolarHBondContact CD1-OG1 2.91Å | ||
| 1817 | P | 32.7 | Very low | 26.5 | Very low | 79 Ų | 79 | 134.5 Ų | 134.5 | 51% | 0.513 | 72% | 0.718 | S | S | . | * | cis | -146.7 | -161.9 | 14.2 | 38.5 | -14.3 | 0 | 0 | 0 | 117.2 | I1525 | I1525-P1817 HydrophobicContact CB-CB 3.59Å; I1525-P1817 HydrophobicContact CB-CG 4.31Å; I1525-P1817 HydrophobicContact CD1-CB 3.82Å; I1525-P1817 HydrophobicContact CD1-CG 4.43Å; I1525-P1817 HydrophobicContact CG1-CB 3.5Å; I1525-P1817 HydrophobicContact CG1-CG 3.9Å; I1525-P1817 HydrophobicContact CG2-CB 3.74Å; I1525-P1817 HydrophobicContact CG2-CG 4.06Å | ||
| 1818 | T | 24.1 | Very low | 26.4 | Very low | 89 Ų | 89 | 136.6 Ų | 136.6 | 55% | 0.546 | 72% | 0.717 | S | S | . | * | trans | 76.4 | 125.1 | 146.3 | 39.3 | 0 | 0 | 0 | 0 | 124 | I1525 | I1525-T1818 HydrophobicContact CG2-CG2 3.8Š| ||
| 1819 | N | 28.2 | Very low | 26.3 | Very low | 120 Ų | 120 | 136.7 Ų | 136.7 | 64% | 0.642 | 71% | 0.71 | S | S | * | * | trans | 10.2 | 118.4 | 137.2 | -74.6 | -20.9 | 0 | 0 | 0 | 120.7 | ||||
| 1820 | L | 24.3 | Very low | 26.1 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 81% | 0.812 | 70% | 0.696 | S | S | * | * | trans | -173.3 | 119.4 | 135.1 | -97.5 | 151 | 0 | 0 | 0 | 105.5 | ||||
| 1821 | N | 28.1 | Very low | 26.2 | Very low | 154 Ų | 154 | 131.3 Ų | 131.3 | 82% | 0.824 | 69% | 0.694 | S | S | * | * | cis | 69.2 | 57.3 | 34.4 | -153.8 | 15.3 | 0 | 0 | 0 | 115.3 | ||||
| 1822 | I | 25 | Very low | 25.7 | Very low | 143 Ų | 143 | 131 Ų | 131 | 73% | 0.733 | 68% | 0.684 | S | S | * | * | trans | -136.7 | 115.1 | 152.5 | -92.5 | 148.3 | 0 | 0 | 0 | 105.8 | ||||
| 1823 | Q | 23.5 | Very low | 25.6 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 62% | 0.621 | 69% | 0.687 | S | S | * | * | 67.3 | 128.9 | 79.5 | -121.2 | -173.2 | 73.6 | 0 | 0 | 114 | |||||
| 1824 | K | 24.9 | Very low | 25.7 | Very low | 152 Ų | 152 | 127.9 Ų | 127.9 | 66% | 0.661 | 68% | 0.684 | S | S | * | * | trans | 69.8 | 155.7 | 160.2 | -62.8 | 165.8 | 172 | 149.9 | 0 | 115.6 | ||||
| 1825 | H | 25.8 | Very low | 25.7 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 62% | 0.62 | 68% | 0.677 | S | S | * | * | cis | -140.7 | 163.1 | -13.1 | -121.8 | -45.4 | 0 | 0 | 0 | 108.3 | ||||
| 1826 | V | 24.6 | Very low | 25.6 | Very low | 118 Ų | 118 | 120.8 Ų | 120.8 | 72% | 0.715 | 66% | 0.658 | S | S | * | * | 36.5 | 126.2 | 104.6 | 158.2 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1827 | S | 24.4 | Very low | 25.5 | Very low | 76 Ų | 76 | 121.8 Ų | 121.8 | 53% | 0.531 | 66% | 0.664 | S | S | . | * | cis | -179.2 | 170.5 | -1.4 | 52.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1828 | E | 24.5 | Very low | 25.1 | Very low | 145 Ų | 145 | 121.6 Ų | 121.6 | 68% | 0.678 | 68% | 0.676 | S | S | * | * | trans | 61.2 | -178.6 | 148.7 | -73.8 | 170.9 | 153.5 | 0 | 0 | 115.6 | ||||
| 1829 | K | 25.4 | Very low | 25.3 | Very low | 148 Ų | 148 | 120.7 Ų | 120.7 | 64% | 0.643 | 68% | 0.684 | S | S | * | * | cis | -129.8 | 138.6 | -21.8 | -121.2 | 140 | -169.4 | 154.4 | 0 | 105.1 | ||||
| 1830 | T | 24.6 | Very low | 25.2 | Very low | 103 Ų | 103 | 120.2 Ų | 120.2 | 63% | 0.632 | 69% | 0.691 | S | S | * | * | 48.9 | 107.5 | 103.2 | -38.4 | 0 | 0 | 0 | 0 | 112.6 | I1832 | T1830-I1832 HydrophobicContact CG2-CD1 3.68Å; T1830-I1832 HydrophobicContact CG2-CG1 4.24Å | |||
| 1831 | I | 25.6 | Very low | 25.3 | Very low | 151 Ų | 151 | 118.7 Ų | 118.7 | 77% | 0.774 | 68% | 0.683 | S | S | * | * | -164.9 | 119.3 | 98.6 | -87.2 | 150.8 | 0 | 0 | 0 | 105.6 | |||||
| 1832 | I | 24.5 | Very low | 25.2 | Very low | 115 Ų | 115 | 119.9 Ų | 119.9 | 59% | 0.59 | 68% | 0.676 | S | S | * | * | 73.3 | 112.2 | 70.2 | -65.3 | 168.9 | 0 | 0 | 0 | 112.1 | T1830 | T1830-I1832 HydrophobicContact CG2-CD1 3.68Å; T1830-I1832 HydrophobicContact CG2-CG1 4.24Å | |||
| 1833 | M | 23.7 | Very low | 25.2 | Very low | 186 Ų | 186 | 119 Ų | 119 | 92% | 0.916 | 68% | 0.677 | S | S | * | * | trans | 66.4 | 140.7 | 176.2 | -54 | 174.1 | -51.7 | 0 | 0 | 115.4 | ||||
| 1834 | G | 25.9 | Very low | 25.4 | Very low | 70 Ų | 70 | 120.3 Ų | 120.3 | 72% | 0.722 | 69% | 0.688 | S | S | * | * | cis | -175.7 | -160.4 | -2.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 1835 | S | 24.4 | Very low | 25.6 | Very low | 80 Ų | 80 | 122.1 Ų | 122.1 | 56% | 0.559 | 71% | 0.711 | S | S | * | * | trans | -45.9 | 154.6 | 160.7 | 51 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1836 | D | 25 | Very low | 25.6 | Very low | 77 Ų | 77 | 121.6 Ų | 121.6 | 41% | 0.412 | 72% | 0.715 | S | S | . | * | cis | -165.3 | 171.7 | 4.5 | -127.8 | -39.4 | 0 | 0 | 0 | 112.9 | K1611 | K1611-D1836 WeakPolarHBondContact CD-OD1 3.49Å; K1611-D1836 WeakPolarHBondContact CD-OD2 3.47Å; K1611-D1836 WeakPolarHBondContact CE-OD1 3.32Å; K1611-D1836 IonicContact NZ-OD1 3.36Å; K1611-D1836 PolarHBondContact NZ-OD1 3.18Å; K1611-D1836 IonicContact NZ-OD2 2.93Å | ||
| 1837 | T | 25.8 | Very low | 25.6 | Very low | 130 Ų | 130 | 121.7 Ų | 121.7 | 80% | 0.798 | 72% | 0.715 | S | S | * | * | trans | 63.2 | 160.8 | 179.8 | 73.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1838 | G | 26 | Very low | 25.7 | Very low | 74 Ų | 74 | 124.3 Ų | 124.3 | 76% | 0.763 | 73% | 0.726 | S | S | * | * | cis | 169.8 | 165.5 | 1.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1839 | G | 27 | Very low | 25.7 | Very low | 70 Ų | 70 | 123.1 Ų | 123.1 | 72% | 0.722 | 73% | 0.729 | S | S | * | * | trans | 97.4 | 116.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1840 | S | 26 | Very low | 25.8 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | 29.5 | 142.7 | 128.7 | 57.9 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 1841 | D | 27.2 | Very low | 25.8 | Very low | 122 Ų | 122 | 122.7 Ų | 122.7 | 65% | 0.652 | 74% | 0.741 | S | S | * | * | trans | 89.9 | 95.6 | 140.4 | -82.2 | -3.2 | 0 | 0 | 0 | 122.2 | ||||
| 1842 | R | 25.8 | Very low | 25.9 | Very low | 180 Ų | 180 | 120.7 Ų | 120.7 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | 79.3 | 108.4 | 113.4 | -73.1 | 171 | -167.2 | -149.6 | -8.7 | 120.7 | |||||
| 1843 | V | 25.8 | Very low | 26 | Very low | 124 Ų | 124 | 121.2 Ų | 121.2 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | 61.6 | 123.5 | 122.5 | -176.6 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1844 | L | 26 | Very low | 26.2 | Very low | 161 Ų | 161 | 115.8 Ų | 115.8 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | 161.4 | 117.5 | 135.2 | -87.3 | 168.1 | 0 | 0 | 0 | 106.9 | ||||
| 1845 | V | 29.3 | Very low | 26.2 | Very low | 190 Ų | 190 | 119.9 Ų | 119.9 | 100% | 1.152 | 74% | 0.737 | S | S | * | * | cis | -135.1 | 0 | 2.5 | 170.7 | 0 | 0 | 0 | 0 | 109 |
Retrieved 1,845 of 1,845 residues in 855.2 ms
(Link to these results)