| 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 | 51.2 | Low | 80.7 | Confident | 217 Ų | 217 | 108.7 Ų | 108.7 | 100% | 1.069 | 62% | 0.621 | S | S | * | * | 0 | -11.2 | 0 | -90.8 | 168.4 | 61.4 | 0 | 0 | 112.5 | D3 | M1-D3 PolarHBondContact O-N 3.41Š| |||
| 2 | V | 56.3 | Low | 81.9 | Confident | 129 Ų | 129 | 107 Ų | 107 | 78% | 0.782 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -64 | -35.8 | -177.5 | -176.2 | 0 | 0 | 0 | 0 | 113.4 | K4 G5 | V2-K4 PolarHBondContact O-N 3.47Å; V2-K4 VanDerWaalsContact O-N 3.08Å; V2-G5 PolarHBondContact O-N 3.05Å |
| 3 | D | 64.3 | Low | 83 | Confident | 151 Ų | 151 | 106.8 Ų | 106.8 | 81% | 0.807 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -70.9 | -8.2 | -174.8 | -46.2 | -35 | 0 | 0 | 0 | 115.8 | M1 | M1-D3 PolarHBondContact O-N 3.41Š|
| 4 | K | 75.1 | Confident | 84 | Confident | 139 Ų | 139 | 108.9 Ų | 108.9 | 60% | 0.604 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -93.7 | -15.9 | -179.1 | -66.1 | -174.3 | -178.7 | -179.6 | 0 | 113.8 | V2 L7 L8 | V2-K4 PolarHBondContact O-N 3.47Å; V2-K4 VanDerWaalsContact O-N 3.08Å; K4-L7 PolarHBondContact O-N 3.44Å; K4-L8 PolarHBondContact O-N 3.36Å; K4-L8 VanDerWaalsContact O-N 3.14Å |
| 5 | G | 83.4 | Confident | 84.9 | Confident | 36 Ų | 36 | 113.9 Ų | 113.9 | 37% | 0.371 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -57.6 | -54.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V2 L7 L8 T9 | V2-G5 PolarHBondContact O-N 3.05Å; G5-L7 VanDerWaalsContact C-N 3.27Å; G5-L7 PolarHBondContact O-N 3.45Å; G5-L8 PolarHBondContact O-N 2.95Å; G5-L8 VanDerWaalsContact O-N 3.11Å; G5-T9 PolarHBondContact O-N 2.6Å; G5-T9 PolarHBondContact O-OG1 3.29Å |
| 6 | P | 91.2 | Very high | 85.7 | Confident | 90 Ų | 90 | 113.8 Ų | 113.8 | 58% | 0.584 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.5 | -31.1 | -178.7 | -25.1 | 35 | 0 | 0 | 0 | 114.3 | T9 S10 | P6-T9 WeakPolarHBondContact CA-OG1 3.37Å; P6-T9 PolarHBondContact O-OG1 3.28Å; P6-S10 WeakPolarHBondContact O-CB 3.41Å; P6-S10 PolarHBondContact O-N 3.11Å; P6-S10 VanDerWaalsContact O-N 3.12Å; P6-S10 PolarHBondContact O-OG 3.36Å |
| 7 | L | 92.1 | Very high | 86.4 | Confident | 130 Ų | 130 | 111.1 Ų | 111.1 | 68% | 0.681 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -74.3 | -36.3 | 177.4 | -170.6 | 146.2 | 0 | 0 | 0 | 111.7 | K4 G5 S10 A11 | K4-L7 PolarHBondContact O-N 3.44Å; G5-L7 VanDerWaalsContact C-N 3.27Å; G5-L7 PolarHBondContact O-N 3.45Å; L7-S10 WeakPolarHBondContact CA-OG 3.36Å; L7-S10 PolarHBondContact O-OG 3.06Å; L7-A11 WeakPolarHBondContact O-CB 3.48Å; L7-A11 PolarHBondContact O-N 3Å; L7-A11 VanDerWaalsContact O-N 3.1Å |
| 8 | L | 91.7 | Very high | 87 | Confident | 110 Ų | 110 | 108.9 Ų | 108.9 | 58% | 0.576 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69 | -42.8 | 175.6 | -172.9 | 70.6 | 0 | 0 | 0 | 111.3 | K4 G5 A11 I12 | K4-L8 PolarHBondContact O-N 3.36Å; K4-L8 VanDerWaalsContact O-N 3.14Å; G5-L8 PolarHBondContact O-N 2.95Å; G5-L8 VanDerWaalsContact O-N 3.11Å; L8-A11 PolarHBondContact O-N 3.04Å; L8-I12 HydrophobicContact CG-CD1 4.07Å; L8-I12 WeakPolarHBondContact O-CG1 3.39Å; L8-I12 PolarHBondContact O-N 2.97Å |
| 9 | T | 93.1 | Very high | 87.5 | Confident | 80 Ų | 80 | 104.4 Ų | 104.4 | 49% | 0.491 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.5 | -46.3 | 178.7 | 54.2 | 0 | 0 | 0 | 0 | 111.5 | G5 P6 A11 I12 I13 | G5-T9 PolarHBondContact O-N 2.6Å; G5-T9 PolarHBondContact O-OG1 3.29Å; P6-T9 WeakPolarHBondContact CA-OG1 3.37Å; P6-T9 PolarHBondContact O-OG1 3.28Å; T9-A11 VanDerWaalsContact C-N 3.33Å; T9-A11 PolarHBondContact O-N 2.94Å; T9-I12 PolarHBondContact O-N 3.49Å; T9-I13 VanDerWaalsContact O-CG1 3.32Å; T9-I13 WeakPolarHBondContact O-CG1 3.29Å; T9-I13 PolarHBondContact O-N 3.01Å |
| 10 | S | 94.4 | Very high | 88.1 | Confident | 64 Ų | 64 | 102.2 Ų | 102.2 | 45% | 0.448 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.2 | -39.6 | 174.7 | 50.2 | 0 | 0 | 0 | 0 | 112.9 | P6 L7 F14 | P6-S10 WeakPolarHBondContact O-CB 3.41Å; P6-S10 PolarHBondContact O-N 3.11Å; P6-S10 VanDerWaalsContact O-N 3.12Å; P6-S10 PolarHBondContact O-OG 3.36Å; L7-S10 WeakPolarHBondContact CA-OG 3.36Å; L7-S10 PolarHBondContact O-OG 3.06Å; S10-F14 WeakPolarHBondContact O-CB 3.47Å; S10-F14 PolarHBondContact O-N 3.16Å |
| 11 | A | 95.1 | Very high | 88.5 | Confident | 50 Ų | 50 | 99.9 Ų | 99.9 | 41% | 0.413 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.4 | -39.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113 | L7 L8 T9 F14 Y15 | L7-A11 WeakPolarHBondContact O-CB 3.48Å; L7-A11 PolarHBondContact O-N 3Å; L7-A11 VanDerWaalsContact O-N 3.1Å; L8-A11 PolarHBondContact O-N 3.04Å; T9-A11 VanDerWaalsContact C-N 3.33Å; T9-A11 PolarHBondContact O-N 2.94Å; A11-F14 PolarHBondContact O-N 3.25Å; A11-Y15 WeakPolarHBondContact O-CB 3.45Å; A11-Y15 PolarHBondContact O-N 3.4Å |
| 12 | I | 95.1 | Very high | 90.8 | Very high | 88 Ų | 88 | 93.9 Ų | 93.9 | 45% | 0.451 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.2 | -45.7 | 176.3 | -69.5 | 168.2 | 0 | 0 | 0 | 110.7 | L8 T9 F14 Y15 L16 | L8-I12 HydrophobicContact CG-CD1 4.07Å; L8-I12 WeakPolarHBondContact O-CG1 3.39Å; L8-I12 PolarHBondContact O-N 2.97Å; T9-I12 PolarHBondContact O-N 3.49Å; I12-F14 VanDerWaalsContact C-N 3.28Å; I12-F14 PolarHBondContact O-N 3.42Å; I12-Y15 WeakPolarHBondContact O-CB 3.4Å; I12-Y15 PolarHBondContact O-N 2.9Å; I12-Y15 VanDerWaalsContact O-N 3.12Å; I12-L16 HydrophobicContact CG2-CD1 4.08Å; I12-L16 HydrophobicContact CG2-CG 4.33Å; I12-L16 WeakPolarHBondContact O-CG 3.47Å; I12-L16 PolarHBondContact O-N 3.32Å |
| 13 | I | 96.4 | Very high | 92.7 | Very high | 105 Ų | 105 | 94.3 Ų | 94.3 | 54% | 0.538 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.7 | -47.2 | 176.4 | -68.5 | 167.2 | 0 | 0 | 0 | 109.6 | T9 Y15 L16 S17 | T9-I13 VanDerWaalsContact O-CG1 3.32Å; T9-I13 WeakPolarHBondContact O-CG1 3.29Å; T9-I13 PolarHBondContact O-N 3.01Å; I13-Y15 PolarHBondContact O-N 3.41Å; I13-L16 PolarHBondContact O-N 3.3Å; I13-S17 PolarHBondContact O-N 3.01Å; I13-S17 PolarHBondContact O-OG 3.49Å |
| 14 | F | 96.9 | Very high | 94.3 | Very high | 135 Ų | 135 | 92.6 Ų | 92.6 | 59% | 0.592 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -41.5 | 176.8 | -176.7 | -109.5 | 0 | 0 | 0 | 113 | S10 A11 I12 S17 I18 | S10-F14 WeakPolarHBondContact O-CB 3.47Å; S10-F14 PolarHBondContact O-N 3.16Å; A11-F14 PolarHBondContact O-N 3.25Å; I12-F14 VanDerWaalsContact C-N 3.28Å; I12-F14 PolarHBondContact O-N 3.42Å; F14-S17 PolarHBondContact O-N 2.75Å; F14-I18 HydrophobicContact CD1-CD1 3.72Å; F14-I18 HydrophobicContact CD2-CD1 4.46Å; F14-I18 HydrophobicContact CE1-CD1 3.21Å; F14-I18 HydrophobicContact CE1-CG1 4.32Å; F14-I18 HydrophobicContact CE2-CD1 4.03Å; F14-I18 HydrophobicContact CE2-CG1 4.38Å; F14-I18 HydrophobicContact CG-CD1 4.34Å; F14-I18 HydrophobicContact CZ-CD1 3.39Å; F14-I18 HydrophobicContact CZ-CG1 4.2Å; F14-I18 WeakPolarHBondContact O-CG1 3.38Å; F14-I18 PolarHBondContact O-N 3.36Å |
| 15 | Y | 96.8 | Very high | 95.4 | Very high | 184 Ų | 184 | 91.1 Ų | 91.1 | 72% | 0.722 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.6 | -43.4 | 175.5 | -176.7 | -100.2 | 0 | 0 | 0 | 112 | A11 I12 I13 I18 G19 | A11-Y15 WeakPolarHBondContact O-CB 3.45Å; A11-Y15 PolarHBondContact O-N 3.4Å; I12-Y15 WeakPolarHBondContact O-CB 3.4Å; I12-Y15 PolarHBondContact O-N 2.9Å; I12-Y15 VanDerWaalsContact O-N 3.12Å; I13-Y15 PolarHBondContact O-N 3.41Å; Y15-I18 PolarHBondContact O-N 2.88Å; Y15-G19 PolarHBondContact O-N 3.25Å |
| 16 | L | 97.4 | Very high | 96 | Very high | 112 Ų | 112 | 94.7 Ų | 94.7 | 59% | 0.586 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.2 | -41.3 | 175.6 | -67.3 | 175.3 | 0 | 0 | 0 | 111.9 | I12 I13 G19 A20 | I12-L16 HydrophobicContact CG2-CD1 4.08Å; I12-L16 HydrophobicContact CG2-CG 4.33Å; I12-L16 WeakPolarHBondContact O-CG 3.47Å; I12-L16 PolarHBondContact O-N 3.32Å; I13-L16 PolarHBondContact O-N 3.3Å; L16-G19 PolarHBondContact O-N 3.18Å; L16-A20 WeakPolarHBondContact O-CB 3.28Å; L16-A20 PolarHBondContact O-N 3.16Å |
| 17 | S | 97.6 | Very high | 96.3 | Very high | 68 Ų | 68 | 95.5 Ų | 95.5 | 48% | 0.476 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 177.4 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | I13 F14 A21 | I13-S17 PolarHBondContact O-N 3.01Å; I13-S17 PolarHBondContact O-OG 3.49Å; F14-S17 PolarHBondContact O-N 2.75Å; S17-A21 WeakPolarHBondContact O-CB 3.46Å; S17-A21 PolarHBondContact O-N 3.46Å |
| 18 | I | 97.9 | Very high | 96.5 | Very high | 73 Ų | 73 | 92.3 Ų | 92.3 | 37% | 0.374 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 174 | -69.1 | 168.8 | 0 | 0 | 0 | 110.4 | F14 Y15 A20 A21 I22 | F14-I18 HydrophobicContact CD1-CD1 3.72Å; F14-I18 HydrophobicContact CD2-CD1 4.46Å; F14-I18 HydrophobicContact CE1-CD1 3.21Å; F14-I18 HydrophobicContact CE1-CG1 4.32Å; F14-I18 HydrophobicContact CE2-CD1 4.03Å; F14-I18 HydrophobicContact CE2-CG1 4.38Å; F14-I18 HydrophobicContact CG-CD1 4.34Å; F14-I18 HydrophobicContact CZ-CD1 3.39Å; F14-I18 HydrophobicContact CZ-CG1 4.2Å; F14-I18 WeakPolarHBondContact O-CG1 3.38Å; F14-I18 PolarHBondContact O-N 3.36Å; Y15-I18 PolarHBondContact O-N 2.88Å; I18-A20 PolarHBondContact O-N 2.84Å; I18-A21 PolarHBondContact O-N 2.91Å; I18-I22 HydrophobicContact CG2-CD1 3.62Å; I18-I22 HydrophobicContact CG2-CG1 4.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.19Å; I18-I22 PolarHBondContact O-N 3.03Å |
| 19 | G | 97.5 | Very high | 96.8 | Very high | 23 Ų | 23 | 90.3 Ų | 90.3 | 24% | 0.237 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -56.3 | -49.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | Y15 L16 A21 I22 F23 | Y15-G19 PolarHBondContact O-N 3.25Å; L16-G19 PolarHBondContact O-N 3.18Å; G19-A21 PolarHBondContact O-N 3.25Å; G19-I22 PolarHBondContact O-N 3.18Å; G19-F23 WeakPolarHBondContact O-CD2 3.23Å; G19-F23 PolarHBondContact O-N 3.12Å |
| 20 | A | 97.8 | Very high | 97 | Very high | 60 Ų | 60 | 91.5 Ų | 91.5 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -45.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L16 I18 I22 F23 Q24 | L16-A20 WeakPolarHBondContact O-CB 3.28Å; L16-A20 PolarHBondContact O-N 3.16Å; I18-A20 PolarHBondContact O-N 2.84Å; A20-I22 VanDerWaalsContact C-N 3.35Å; A20-I22 PolarHBondContact O-N 3.49Å; A20-F23 PolarHBondContact O-N 2.85Å; A20-Q24 VanDerWaalsContact O-CB 3.26Å; A20-Q24 WeakPolarHBondContact O-CB 3.4Å; A20-Q24 PolarHBondContact O-N 3.4Å |
| 21 | A | 97.9 | Very high | 97.1 | Very high | 53 Ų | 53 | 96.4 Ų | 96.4 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S17 I18 G19 V25 | S17-A21 WeakPolarHBondContact O-CB 3.46Å; S17-A21 PolarHBondContact O-N 3.46Å; I18-A21 PolarHBondContact O-N 2.91Å; G19-A21 PolarHBondContact O-N 3.25Å; A21-V25 WeakPolarHBondContact O-CG2 3.28Å; A21-V25 PolarHBondContact O-N 3.47Å; A21-V25 VanDerWaalsContact O-N 3.14Å |
| 22 | I | 98.1 | Very high | 97.2 | Very high | 91 Ų | 91 | 98.5 Ų | 98.5 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -68.2 | -48.6 | 178.3 | -66.8 | 172 | 0 | 0 | 0 | 110.7 | I18 G19 A20 Q24 V25 L26 | I18-I22 HydrophobicContact CG2-CD1 3.62Å; I18-I22 HydrophobicContact CG2-CG1 4.28Å; I18-I22 WeakPolarHBondContact O-CG1 3.19Å; I18-I22 PolarHBondContact O-N 3.03Å; G19-I22 PolarHBondContact O-N 3.18Å; A20-I22 VanDerWaalsContact C-N 3.35Å; A20-I22 PolarHBondContact O-N 3.49Å; I22-Q24 VanDerWaalsContact C-N 3.31Å; I22-Q24 PolarHBondContact O-N 2.96Å; I22-V25 PolarHBondContact O-N 3.49Å; I22-L26 HydrophobicContact CG2-CD1 3.64Å; I22-L26 HydrophobicContact CG2-CG 4.26Å; I22-L26 WeakPolarHBondContact O-CB 3.43Å; I22-L26 VanDerWaalsContact O-CG 3.31Å; I22-L26 WeakPolarHBondContact O-CG 3.29Å; I22-L26 PolarHBondContact O-N 2.87Å |
| 23 | F | 97.6 | Very high | 97.3 | Very high | 139 Ų | 139 | 97.9 Ų | 97.9 | 61% | 0.61 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.6 | -41.1 | 178.1 | -78.4 | -57.8 | 0 | 0 | 0 | 112 | G19 A20 V25 L26 E27 | G19-F23 WeakPolarHBondContact O-CD2 3.23Å; G19-F23 PolarHBondContact O-N 3.12Å; A20-F23 PolarHBondContact O-N 2.85Å; F23-V25 PolarHBondContact O-N 3.34Å; F23-L26 PolarHBondContact O-N 3.47Å; F23-E27 WeakPolarHBondContact O-CB 3.39Å; F23-E27 PolarHBondContact O-N 3.47Å |
| 24 | Q | 97.6 | Very high | 97.3 | Very high | 114 Ų | 114 | 95.1 Ų | 95.1 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 176.3 | -176.6 | 179 | -2.7 | 0 | 0 | 111.4 | A20 I22 L26 E28 | A20-Q24 VanDerWaalsContact O-CB 3.26Å; A20-Q24 WeakPolarHBondContact O-CB 3.4Å; A20-Q24 PolarHBondContact O-N 3.4Å; I22-Q24 VanDerWaalsContact C-N 3.31Å; I22-Q24 PolarHBondContact O-N 2.96Å; Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 3.36Å; Q24-E28 HydrophobicContact CG-CB 4.28Å; Q24-E28 WeakPolarHBondContact CG-OE2 3.28Å; Q24-E28 PolarHBondContact NE2-OE2 3.49Å; Q24-E28 WeakPolarHBondContact O-CB 3.44Å; Q24-E28 PolarHBondContact O-N 3.24Å |
| 25 | V | 98 | Very high | 97.3 | Very high | 109 Ų | 109 | 90.4 Ų | 90.4 | 66% | 0.661 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66 | -34.6 | -179.2 | 170.3 | 0 | 0 | 0 | 0 | 112.4 | A21 I22 F23 P29 | A21-V25 WeakPolarHBondContact O-CG2 3.28Å; A21-V25 PolarHBondContact O-N 3.47Å; A21-V25 VanDerWaalsContact O-N 3.14Å; I22-V25 PolarHBondContact O-N 3.49Å; F23-V25 PolarHBondContact O-N 3.34Å; V25-P29 WeakPolarHBondContact O-CD 3.45Å; V25-P29 WeakPolarHBondContact O-CG 3.5Å |
| 26 | L | 96.4 | Very high | 97.3 | Very high | 111 Ų | 111 | 87.8 Ų | 87.8 | 58% | 0.581 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -79.1 | -42.9 | -179.1 | -67.1 | 177.2 | 0 | 0 | 0 | 112.8 | I22 F23 Q24 | I22-L26 HydrophobicContact CG2-CD1 3.64Å; I22-L26 HydrophobicContact CG2-CG 4.26Å; I22-L26 WeakPolarHBondContact O-CB 3.43Å; I22-L26 VanDerWaalsContact O-CG 3.31Å; I22-L26 WeakPolarHBondContact O-CG 3.29Å; I22-L26 PolarHBondContact O-N 2.87Å; F23-L26 PolarHBondContact O-N 3.47Å; Q24-L26 VanDerWaalsContact C-N 3.31Å; Q24-L26 PolarHBondContact O-N 3.36Å |
| 27 | E | 96.8 | Very high | 97.3 | Very high | 106 Ų | 106 | 88.3 Ų | 88.3 | 50% | 0.495 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -98.5 | -31.3 | -169.9 | -62.4 | -58.6 | 150.8 | 0 | 0 | 113.9 | F23 N30 W31 | F23-E27 WeakPolarHBondContact O-CB 3.39Å; F23-E27 PolarHBondContact O-N 3.47Å; E27-N30 PolarHBondContact O-N 2.87Å; E27-W31 WeakPolarHBondContact O-CB 3.18Å; E27-W31 PolarHBondContact O-N 3.27Å |
| 28 | E | 97.2 | Very high | 97.2 | Very high | 63 Ų | 63 | 90.7 Ų | 90.7 | 29% | 0.294 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.3 | -40.6 | -176.9 | -169.4 | -176.5 | 165.1 | 0 | 0 | 113.3 | Q24 W31 K32 | Q24-E28 HydrophobicContact CG-CB 4.28Å; Q24-E28 WeakPolarHBondContact CG-OE2 3.28Å; Q24-E28 PolarHBondContact NE2-OE2 3.49Å; Q24-E28 WeakPolarHBondContact O-CB 3.44Å; Q24-E28 PolarHBondContact O-N 3.24Å; E28-W31 PolarHBondContact O-N 2.94Å; E28-K32 HydrophobicContact CG-CD 4.33Å; E28-K32 WeakPolarHBondContact O-CB 3.35Å; E28-K32 WeakPolarHBondContact O-CG 3.06Å; E28-K32 PolarHBondContact O-N 3.05Å; E28-K32 WeakPolarHBondContact OE1-CE 3.46Å; E28-K32 IonicContact OE1-NZ 2.63Å; E28-K32 PolarHBondContact OE1-NZ 2.94Å |
| 29 | P | 97.8 | Very high | 97.1 | Very high | 68 Ų | 68 | 94.9 Ų | 94.9 | 44% | 0.442 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 175.9 | -21.4 | 33.8 | 0 | 0 | 0 | 112.2 | V25 W31 K32 D33 | V25-P29 WeakPolarHBondContact O-CD 3.45Å; V25-P29 WeakPolarHBondContact O-CG 3.5Å; P29-W31 PolarHBondContact O-N 3.32Å; P29-K32 PolarHBondContact O-N 3.32Å; P29-D33 PolarHBondContact O-N 3.43Å |
| 30 | N | 96.9 | Very high | 97.1 | Very high | 106 Ų | 106 | 101.2 Ų | 101.2 | 57% | 0.567 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.5 | -42.9 | 179.4 | -174.6 | 50 | 0 | 0 | 0 | 111.2 | E27 D33 A34 | E27-N30 PolarHBondContact O-N 2.87Å; N30-D33 PolarHBondContact O-N 3.01Å; N30-A34 WeakPolarHBondContact O-CB 3.39Å; N30-A34 PolarHBondContact O-N 3.47Å |
| 31 | W | 97.1 | Very high | 97 | Very high | 167 Ų | 167 | 104 Ų | 104 | 63% | 0.633 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61.9 | -44.7 | 175.1 | 178.1 | 81.1 | 0 | 0 | 0 | 112.4 | E27 E28 P29 D33 A34 V35 | E27-W31 WeakPolarHBondContact O-CB 3.18Å; E27-W31 PolarHBondContact O-N 3.27Å; E28-W31 PolarHBondContact O-N 2.94Å; P29-W31 PolarHBondContact O-N 3.32Å; W31-D33 VanDerWaalsContact C-N 3.29Å; W31-D33 PolarHBondContact O-N 3.37Å; W31-A34 PolarHBondContact O-N 2.96Å; W31-V35 HydrophobicContact CD2-CG2 4.15Å; W31-V35 HydrophobicContact CH2-CG2 4.37Å; W31-V35 HydrophobicContact CZ2-CG2 3.9Å; W31-V35 WeakPolarHBondContact O-CG2 3.5Å; W31-V35 PolarHBondContact O-N 3.17Å |
| 32 | K | 97.4 | Very high | 96.8 | Very high | 94 Ų | 94 | 103.6 Ų | 103.6 | 41% | 0.409 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.8 | -40.5 | 176.1 | -77.9 | 175.5 | -178.1 | 167.4 | 0 | 111.8 | E28 P29 K36 | E28-K32 HydrophobicContact CG-CD 4.33Å; E28-K32 WeakPolarHBondContact O-CB 3.35Å; E28-K32 WeakPolarHBondContact O-CG 3.06Å; E28-K32 PolarHBondContact O-N 3.05Å; E28-K32 WeakPolarHBondContact OE1-CE 3.46Å; E28-K32 IonicContact OE1-NZ 2.63Å; E28-K32 PolarHBondContact OE1-NZ 2.94Å; P29-K32 PolarHBondContact O-N 3.32Å; K32-K36 WeakPolarHBondContact O-CG 3.14Å; K32-K36 PolarHBondContact O-N 2.92Å; K32-K36 VanDerWaalsContact O-N 3.1Å |
| 33 | D | 97.3 | Very high | 96.6 | Very high | 75 Ų | 75 | 104.9 Ų | 104.9 | 40% | 0.401 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.2 | -38.1 | 178.8 | -71.9 | -18 | 0 | 0 | 0 | 112 | P29 N30 W31 V35 K36 Q37 | P29-D33 PolarHBondContact O-N 3.43Å; N30-D33 PolarHBondContact O-N 3.01Å; W31-D33 VanDerWaalsContact C-N 3.29Å; W31-D33 PolarHBondContact O-N 3.37Å; D33-V35 PolarHBondContact O-N 3.15Å; D33-K36 PolarHBondContact O-N 3.25Å; D33-K36 IonicContact OD1-NZ 3.93Å; D33-K36 PolarHBondContact OD1-NZ 2.87Å; D33-Q37 WeakPolarHBondContact O-CG 3.33Å; D33-Q37 PolarHBondContact O-N 2.79Å |
| 34 | A | 96.5 | Very high | 96.5 | Very high | 47 Ų | 47 | 104 Ų | 104 | 39% | 0.388 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60 | -42.9 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | N30 W31 K36 Q37 Y38 | N30-A34 WeakPolarHBondContact O-CB 3.39Å; N30-A34 PolarHBondContact O-N 3.47Å; W31-A34 PolarHBondContact O-N 2.96Å; A34-K36 PolarHBondContact O-N 3.26Å; A34-Q37 PolarHBondContact O-N 2.87Å; A34-Y38 WeakPolarHBondContact O-CB 3.43Å; A34-Y38 PolarHBondContact O-N 3.38Å |
| 35 | V | 96.5 | Very high | 96.4 | Very high | 36 Ų | 36 | 102.1 Ų | 102.1 | 22% | 0.218 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 175.8 | 171.2 | 0 | 0 | 0 | 0 | 111.5 | W31 D33 Y38 R39 | W31-V35 HydrophobicContact CD2-CG2 4.15Å; W31-V35 HydrophobicContact CH2-CG2 4.37Å; W31-V35 HydrophobicContact CZ2-CG2 3.9Å; W31-V35 WeakPolarHBondContact O-CG2 3.5Å; W31-V35 PolarHBondContact O-N 3.17Å; D33-V35 PolarHBondContact O-N 3.15Å; V35-Y38 PolarHBondContact O-N 3.12Å; V35-R39 WeakPolarHBondContact O-CG 3.29Å; V35-R39 PolarHBondContact O-N 3.34Å |
| 36 | K | 97.1 | Very high | 96.3 | Very high | 129 Ų | 129 | 99 Ų | 99 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.5 | -44 | 175.4 | -69.7 | 171.1 | -158.9 | 156.7 | 0 | 111.4 | K32 D33 A34 R39 K40 | K32-K36 WeakPolarHBondContact O-CG 3.14Å; K32-K36 PolarHBondContact O-N 2.92Å; K32-K36 VanDerWaalsContact O-N 3.1Å; D33-K36 PolarHBondContact O-N 3.25Å; D33-K36 IonicContact OD1-NZ 3.93Å; D33-K36 PolarHBondContact OD1-NZ 2.87Å; A34-K36 PolarHBondContact O-N 3.26Å; K36-R39 PolarHBondContact O-N 3.38Å; K36-K40 WeakPolarHBondContact O-CB 3.34Å; K36-K40 PolarHBondContact O-N 3.46Å |
| 37 | Q | 97.3 | Very high | 96.2 | Very high | 122 Ų | 122 | 100.9 Ų | 100.9 | 57% | 0.57 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.3 | -44.4 | 177.6 | -72.9 | 178.3 | 13.8 | 0 | 0 | 111.4 | D33 A34 K40 Q41 | D33-Q37 WeakPolarHBondContact O-CG 3.33Å; D33-Q37 PolarHBondContact O-N 2.79Å; A34-Q37 PolarHBondContact O-N 2.87Å; Q37-K40 PolarHBondContact O-N 2.62Å; Q37-Q41 WeakPolarHBondContact O-CB 3.18Å; Q37-Q41 WeakPolarHBondContact O-CG 3.46Å; Q37-Q41 PolarHBondContact O-N 2.86Å |
| 38 | Y | 95.4 | Very high | 96.2 | Very high | 119 Ų | 119 | 100.4 Ų | 100.4 | 47% | 0.467 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.1 | -47.5 | 175.9 | 176.6 | -109.9 | 0 | 0 | 0 | 111.9 | A34 V35 K40 Q41 K42 | A34-Y38 WeakPolarHBondContact O-CB 3.43Å; A34-Y38 PolarHBondContact O-N 3.38Å; V35-Y38 PolarHBondContact O-N 3.12Å; Y38-K40 PolarHBondContact O-N 3.17Å; Y38-Q41 PolarHBondContact O-N 3.25Å; Y38-K42 WeakPolarHBondContact O-CB 3.29Å; Y38-K42 PolarHBondContact O-N 2.76Å |
| 39 | R | 95.6 | Very high | 96.1 | Very high | 160 Ų | 160 | 103.9 Ų | 103.9 | 60% | 0.604 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.6 | -45.8 | 175.8 | -72.2 | -179.6 | -170 | 178.9 | 2.8 | 112.1 | V35 K36 Q41 K42 E43 | V35-R39 WeakPolarHBondContact O-CG 3.29Å; V35-R39 PolarHBondContact O-N 3.34Å; K36-R39 PolarHBondContact O-N 3.38Å; R39-Q41 VanDerWaalsContact C-N 3.33Å; R39-Q41 PolarHBondContact O-N 3.06Å; R39-K42 WeakPolarHBondContact O-CB 3.38Å; R39-K42 PolarHBondContact O-N 3.42Å; R39-E43 WeakPolarHBondContact O-CG 3.45Å; R39-E43 PolarHBondContact O-N 3.49Å |
| 40 | K | 96.6 | Very high | 95.9 | Very high | 156 Ų | 156 | 106.3 Ų | 106.3 | 68% | 0.678 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.3 | -40.7 | 177.9 | -174.6 | 179.5 | -179.3 | 179.6 | 0 | 112.1 | K36 Q37 Y38 K44 | K36-K40 WeakPolarHBondContact O-CB 3.34Å; K36-K40 PolarHBondContact O-N 3.46Å; Q37-K40 PolarHBondContact O-N 2.62Å; Y38-K40 PolarHBondContact O-N 3.17Å; K40-K44 WeakPolarHBondContact O-CB 3.47Å; K40-K44 PolarHBondContact O-N 3.27Å |
| 41 | Q | 95.4 | Very high | 95.8 | Very high | 118 Ų | 118 | 106.9 Ų | 106.9 | 55% | 0.551 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.8 | -40.6 | 176 | -74.2 | 175.4 | -5.8 | 0 | 0 | 111.6 | Q37 Y38 R39 K44 I45 | Q37-Q41 WeakPolarHBondContact O-CB 3.18Å; Q37-Q41 WeakPolarHBondContact O-CG 3.46Å; Q37-Q41 PolarHBondContact O-N 2.86Å; Y38-Q41 PolarHBondContact O-N 3.25Å; R39-Q41 VanDerWaalsContact C-N 3.33Å; R39-Q41 PolarHBondContact O-N 3.06Å; Q41-K44 PolarHBondContact O-N 3.24Å; Q41-I45 VanDerWaalsContact O-CG1 3.32Å; Q41-I45 WeakPolarHBondContact O-CG1 3.49Å; Q41-I45 PolarHBondContact O-N 3.5Å |
| 42 | K | 94.3 | Very high | 95.7 | Very high | 46 Ų | 46 | 100.9 Ų | 100.9 | 20% | 0.2 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -60.7 | -45.7 | 175.2 | -169.8 | -178.7 | 177 | 176.6 | 0 | 111.8 | Y38 R39 I45 L46 L57 D58 L61 | Y38-K42 WeakPolarHBondContact O-CB 3.29Å; Y38-K42 PolarHBondContact O-N 2.76Å; R39-K42 WeakPolarHBondContact O-CB 3.38Å; R39-K42 PolarHBondContact O-N 3.42Å; K42-I45 PolarHBondContact O-N 3.37Å; K42-L46 PolarHBondContact O-N 3.48Å; K42-L57 HydrophobicContact CD-CD2 4.44Å; K42-L57 HydrophobicContact CG-CD2 3.64Å; K42-D58 WeakPolarHBondContact CE-OD1 3.45Å; K42-D58 IonicContact NZ-OD1 2.83Å; K42-D58 PolarHBondContact NZ-OD1 3.28Å; K42-D58 IonicContact NZ-OD2 2.57Å; K42-L61 HydrophobicContact CD-CD1 4.43Å |
| 43 | E | 94.3 | Very high | 95.5 | Very high | 117 Ų | 117 | 98.8 Ų | 98.8 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 174.8 | -74.3 | 168.8 | -174.4 | 0 | 0 | 111.4 | R39 I45 L46 E47 | R39-E43 WeakPolarHBondContact O-CG 3.45Å; R39-E43 PolarHBondContact O-N 3.49Å; E43-I45 VanDerWaalsContact C-N 3.29Å; E43-I45 PolarHBondContact O-N 2.85Å; E43-L46 WeakPolarHBondContact O-CB 3.27Å; E43-L46 PolarHBondContact O-N 3.2Å; E43-E47 PolarHBondContact O-N 3.29Å |
| 44 | K | 96 | Very high | 95.3 | Very high | 122 Ų | 122 | 101.5 Ų | 101.5 | 53% | 0.53 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.3 | -39.5 | 176.4 | -171.7 | -178.5 | 177.5 | -173.9 | 0 | 112.6 | K40 Q41 L46 E47 D48 | K40-K44 WeakPolarHBondContact O-CB 3.47Å; K40-K44 PolarHBondContact O-N 3.27Å; Q41-K44 PolarHBondContact O-N 3.24Å; K44-L46 VanDerWaalsContact C-N 3.33Å; K44-L46 PolarHBondContact O-N 3.29Å; K44-E47 PolarHBondContact O-N 3.49Å; K44-D48 WeakPolarHBondContact O-CB 3.49Å; K44-D48 VanDerWaalsContact O-CG 3.25Å; K44-D48 PolarHBondContact O-N 3.46Å |
| 45 | I | 95.6 | Very high | 95.2 | Very high | 73 Ų | 73 | 105.1 Ų | 105.1 | 37% | 0.374 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.5 | -40 | 175.9 | -69.1 | 164.9 | 0 | 0 | 0 | 110.8 | Q41 K42 E43 E47 D48 Y49 L52 | Q41-I45 VanDerWaalsContact O-CG1 3.32Å; Q41-I45 WeakPolarHBondContact O-CG1 3.49Å; Q41-I45 PolarHBondContact O-N 3.5Å; K42-I45 PolarHBondContact O-N 3.37Å; E43-I45 VanDerWaalsContact C-N 3.29Å; E43-I45 PolarHBondContact O-N 2.85Å; I45-E47 VanDerWaalsContact C-N 3.33Å; I45-D48 PolarHBondContact O-N 3.25Å; I45-Y49 HydrophobicContact CG2-CD2 4.14Å; I45-Y49 WeakPolarHBondContact O-CD2 3.44Å; I45-Y49 PolarHBondContact O-N 3.36Å; I45-L52 HydrophobicContact CG2-CD2 4.14Å |
| 46 | L | 94.9 | Very high | 95.1 | Very high | 45 Ų | 45 | 107.2 Ų | 107.2 | 24% | 0.236 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -67.6 | -34.2 | 176.1 | -67.3 | 170.3 | 0 | 0 | 0 | 112.3 | K42 E43 K44 Y49 L52 K54 L57 | K42-L46 PolarHBondContact O-N 3.48Å; E43-L46 WeakPolarHBondContact O-CB 3.27Å; E43-L46 PolarHBondContact O-N 3.2Å; K44-L46 VanDerWaalsContact C-N 3.33Å; K44-L46 PolarHBondContact O-N 3.29Å; L46-Y49 CarbonylContact O-C 3.54Å; L46-L52 HydrophobicContact CD2-CD2 4.44Å; L46-L52 HydrophobicContact CD2-CG 4.38Å; L46-K54 HydrophobicContact CD1-CB 4.46Å; L46-K54 HydrophobicContact CD1-CG 4.45Å; L46-L57 HydrophobicContact CD1-CD2 4.22Å; L46-L57 HydrophobicContact CD2-CB 4.16Å; L46-L57 HydrophobicContact CD2-CD2 3.73Å; L46-L57 HydrophobicContact CG-CD2 3.76Å |
| 47 | E | 95.1 | Very high | 95 | Very high | 149 Ų | 149 | 101.7 Ų | 101.7 | 70% | 0.696 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.7 | -43.3 | 173.9 | -69.9 | 179.1 | 174.9 | 0 | 0 | 112.3 | E43 K44 I45 Y49 | E43-E47 PolarHBondContact O-N 3.29Å; K44-E47 PolarHBondContact O-N 3.49Å; I45-E47 VanDerWaalsContact C-N 3.33Å; E47-Y49 VanDerWaalsContact C-N 3.28Å; E47-Y49 PolarHBondContact O-N 3.3Å |
| 48 | D | 96.6 | Very high | 94.8 | Very high | 96 Ų | 96 | 98.6 Ų | 98.6 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.4 | -27.6 | -179.4 | -72.5 | -19.4 | 0 | 0 | 0 | 111.9 | K44 I45 | K44-D48 WeakPolarHBondContact O-CB 3.49Å; K44-D48 VanDerWaalsContact O-CG 3.25Å; K44-D48 PolarHBondContact O-N 3.46Å; I45-D48 PolarHBondContact O-N 3.25Å |
| 49 | Y | 95.3 | Very high | 94.8 | Very high | 136 Ų | 136 | 99.4 Ų | 99.4 | 53% | 0.533 | 49% | 0.487 | S | S | . | . | trans | -125.1 | 83.4 | -179.4 | -59.5 | -77 | 0 | 0 | 0 | 112.3 | I45 L46 E47 C51 L52 | I45-Y49 HydrophobicContact CG2-CD2 4.14Å; I45-Y49 WeakPolarHBondContact O-CD2 3.44Å; I45-Y49 PolarHBondContact O-N 3.36Å; L46-Y49 CarbonylContact O-C 3.54Å; E47-Y49 VanDerWaalsContact C-N 3.28Å; E47-Y49 PolarHBondContact O-N 3.3Å; Y49-C51 PolarHBondContact O-N 3.23Å; Y49-L52 WeakPolarHBondContact O-CB 3.42Å; Y49-L52 PolarHBondContact O-N 3.06Å | ||
| 50 | P | 92.5 | Very high | 94.8 | Very high | 120 Ų | 120 | 96 Ų | 96 | 78% | 0.779 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -18 | -178.3 | -22 | 32.2 | 0 | 0 | 0 | 114.8 | L52 | P50-L52 VanDerWaalsContact C-N 3.3Š|
| 51 | C | 94.5 | Very high | 94.6 | Very high | 118 Ų | 118 | 91.2 Ų | 91.2 | 80% | 0.797 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -11.5 | 175.3 | 57.8 | 0 | 0 | 0 | 0 | 113.6 | Y49 | Y49-C51 PolarHBondContact O-N 3.23Š|
| 52 | L | 95.3 | Very high | 94.5 | Very high | 40 Ų | 40 | 91.3 Ų | 91.3 | 21% | 0.209 | 46% | 0.462 | C | S | . | . | trans | -95.3 | 114.4 | -179.7 | -175.3 | 67.5 | 0 | 0 | 0 | 109.5 | I45 L46 Y49 P50 D56 L57 I60 | I45-L52 HydrophobicContact CG2-CD2 4.14Å; L46-L52 HydrophobicContact CD2-CD2 4.44Å; L46-L52 HydrophobicContact CD2-CG 4.38Å; Y49-L52 WeakPolarHBondContact O-CB 3.42Å; Y49-L52 PolarHBondContact O-N 3.06Å; P50-L52 VanDerWaalsContact C-N 3.3Å; L52-D56 HydrophobicContact CD1-CB 3.75Å; L52-L57 HydrophobicContact CD2-CB 4.04Å; L52-L57 HydrophobicContact CD2-CD1 4.09Å; L52-L57 HydrophobicContact CD2-CG 4.45Å; L52-L57 HydrophobicContact CG-CB 4.24Å; L52-I60 HydrophobicContact CD1-CD1 3.94Å | ||
| 53 | S | 94.1 | Very high | 94.5 | Very high | 50 Ų | 50 | 93.5 Ų | 93.5 | 35% | 0.35 | 48% | 0.479 | S | S | . | . | trans | -74.9 | 161.3 | 173.1 | 79.3 | 0 | 0 | 0 | 0 | 111.1 | D55 D56 L57 | S53-D55 VanDerWaalsContact C-N 3.29Å; S53-D55 PolarHBondContact O-N 3.43Å; S53-D56 WeakPolarHBondContact CB-OD2 3.39Å; S53-D56 PolarHBondContact O-N 2.92Å; S53-D56 WeakPolarHBondContact OG-CB 3.47Å; S53-D56 PolarHBondContact OG-N 3.2Å; S53-D56 VanDerWaalsContact OG-N 3.11Å; S53-D56 PolarHBondContact OG-OD2 3.47Å; S53-L57 PolarHBondContact O-N 3.3Å | ||
| 54 | K | 92.7 | Very high | 94.4 | Very high | 132 Ų | 132 | 90.6 Ų | 90.6 | 57% | 0.574 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.4 | -40.9 | 175.5 | -174 | -176.8 | 172.9 | -169.6 | 0 | 111.7 | L46 L57 D58 | L46-K54 HydrophobicContact CD1-CB 4.46Å; L46-K54 HydrophobicContact CD1-CG 4.45Å; K54-L57 PolarHBondContact O-N 2.84Å; K54-D58 PolarHBondContact O-N 3.07Å |
| 55 | D | 94.1 | Very high | 94.2 | Very high | 124 Ų | 124 | 88.4 Ų | 88.4 | 66% | 0.663 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -68.3 | -37.9 | -179.3 | -59.5 | -23.1 | 0 | 0 | 0 | 111.1 | S53 D58 K59 | S53-D55 VanDerWaalsContact C-N 3.29Å; S53-D55 PolarHBondContact O-N 3.43Å; D55-D58 PolarHBondContact O-N 3.12Å; D55-K59 WeakPolarHBondContact O-CB 3.46Å; D55-K59 PolarHBondContact O-N 2.75Å |
| 56 | D | 94.4 | Very high | 93.9 | Very high | 80 Ų | 80 | 89.7 Ų | 89.7 | 43% | 0.428 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 174.4 | -65.2 | -44.1 | 0 | 0 | 0 | 111.6 | L52 S53 K59 I60 | L52-D56 HydrophobicContact CD1-CB 3.75Å; S53-D56 WeakPolarHBondContact CB-OD2 3.39Å; S53-D56 PolarHBondContact O-N 2.92Å; S53-D56 WeakPolarHBondContact OG-CB 3.47Å; S53-D56 PolarHBondContact OG-N 3.2Å; S53-D56 VanDerWaalsContact OG-N 3.11Å; S53-D56 PolarHBondContact OG-OD2 3.47Å; D56-K59 PolarHBondContact O-N 3.17Å; D56-I60 VanDerWaalsContact O-CG1 3.29Å; D56-I60 WeakPolarHBondContact O-CG1 3.43Å; D56-I60 PolarHBondContact O-N 2.89Å |
| 57 | L | 94.4 | Very high | 93.6 | Very high | 12 Ų | 12 | 89.6 Ų | 89.6 | 6% | 0.063 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -64.4 | -41.1 | 175.2 | 179.3 | 58.2 | 0 | 0 | 0 | 111.6 | K42 L46 L52 S53 K54 K59 I60 L61 | K42-L57 HydrophobicContact CD-CD2 4.44Å; K42-L57 HydrophobicContact CG-CD2 3.64Å; L46-L57 HydrophobicContact CD1-CD2 4.22Å; L46-L57 HydrophobicContact CD2-CB 4.16Å; L46-L57 HydrophobicContact CD2-CD2 3.73Å; L46-L57 HydrophobicContact CG-CD2 3.76Å; L52-L57 HydrophobicContact CD2-CB 4.04Å; L52-L57 HydrophobicContact CD2-CD1 4.09Å; L52-L57 HydrophobicContact CD2-CG 4.45Å; L52-L57 HydrophobicContact CG-CB 4.24Å; S53-L57 PolarHBondContact O-N 3.3Å; K54-L57 PolarHBondContact O-N 2.84Å; L57-K59 VanDerWaalsContact C-N 3.33Å; L57-I60 PolarHBondContact O-N 2.83Å; L57-L61 HydrophobicContact CD1-CD1 4.44Å; L57-L61 HydrophobicContact CD1-CG 4.35Å; L57-L61 HydrophobicContact CG-CD1 4.23Å; L57-L61 VanDerWaalsContact O-CG 3.29Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.3Å |
| 58 | D | 94.1 | Very high | 93.2 | Very high | 58 Ų | 58 | 84 Ų | 84 | 31% | 0.31 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -63 | -41.1 | 176.1 | -76.5 | -27.3 | 0 | 0 | 0 | 111.5 | K42 K54 D55 I60 L61 E62 | K42-D58 WeakPolarHBondContact CE-OD1 3.45Å; K42-D58 IonicContact NZ-OD1 2.83Å; K42-D58 PolarHBondContact NZ-OD1 3.28Å; K42-D58 IonicContact NZ-OD2 2.57Å; K54-D58 PolarHBondContact O-N 3.07Å; D55-D58 PolarHBondContact O-N 3.12Å; D58-I60 PolarHBondContact O-N 3.14Å; D58-L61 PolarHBondContact O-N 2.9Å; D58-E62 WeakPolarHBondContact O-CB 3.34Å; D58-E62 PolarHBondContact O-N 2.9Å |
| 59 | K | 95.6 | Very high | 92.6 | Very high | 135 Ų | 135 | 81.3 Ų | 81.3 | 59% | 0.587 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -63.1 | -40 | 173.4 | -172.6 | 175 | -176.7 | 174.8 | 0 | 112.9 | D55 D56 L57 L61 E62 V63 | D55-K59 WeakPolarHBondContact O-CB 3.46Å; D55-K59 PolarHBondContact O-N 2.75Å; D56-K59 PolarHBondContact O-N 3.17Å; L57-K59 VanDerWaalsContact C-N 3.33Å; K59-L61 VanDerWaalsContact C-N 3.35Å; K59-E62 PolarHBondContact O-N 2.57Å; K59-V63 WeakPolarHBondContact O-CG2 3.32Å; K59-V63 PolarHBondContact O-N 3.45Å |
| 60 | I | 94.4 | Very high | 92 | Very high | 88 Ų | 88 | 80.9 Ų | 80.9 | 45% | 0.451 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 174.5 | -69.3 | 165.2 | 0 | 0 | 0 | 110.2 | L52 D56 L57 D58 E62 V63 V64 | L52-I60 HydrophobicContact CD1-CD1 3.94Å; D56-I60 VanDerWaalsContact O-CG1 3.29Å; D56-I60 WeakPolarHBondContact O-CG1 3.43Å; D56-I60 PolarHBondContact O-N 2.89Å; L57-I60 PolarHBondContact O-N 2.83Å; D58-I60 PolarHBondContact O-N 3.14Å; I60-E62 VanDerWaalsContact C-N 3.32Å; I60-E62 PolarHBondContact O-N 3.24Å; I60-V63 PolarHBondContact O-N 3.34Å; I60-V64 HydrophobicContact CG2-CG2 4.4Å; I60-V64 WeakPolarHBondContact O-CB 3.43Å; I60-V64 VanDerWaalsContact O-CG2 3.28Å; I60-V64 WeakPolarHBondContact O-CG2 3.32Å; I60-V64 PolarHBondContact O-N 2.97Å |
| 61 | L | 93.1 | Very high | 91.4 | Very high | 56 Ų | 56 | 76.7 Ų | 76.7 | 29% | 0.293 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.5 | -36.8 | 178.9 | -70.2 | 171.2 | 0 | 0 | 0 | 112.1 | K42 L57 D58 K59 V64 S65 | K42-L61 HydrophobicContact CD-CD1 4.43Å; L57-L61 HydrophobicContact CD1-CD1 4.44Å; L57-L61 HydrophobicContact CD1-CG 4.35Å; L57-L61 HydrophobicContact CG-CD1 4.23Å; L57-L61 VanDerWaalsContact O-CG 3.29Å; L57-L61 WeakPolarHBondContact O-CG 3.4Å; L57-L61 PolarHBondContact O-N 3.3Å; D58-L61 PolarHBondContact O-N 2.9Å; K59-L61 VanDerWaalsContact C-N 3.35Å; L61-V64 PolarHBondContact O-N 3.3Å; L61-S65 VanDerWaalsContact O-CB 3.23Å; L61-S65 WeakPolarHBondContact O-CB 3.37Å; L61-S65 PolarHBondContact O-N 3.05Å |
| 62 | E | 94.2 | Very high | 90.9 | Very high | 121 Ų | 121 | 74.7 Ų | 74.7 | 57% | 0.565 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -61.7 | -50.8 | 173.7 | -173.6 | 177.3 | -164.1 | 0 | 0 | 111.2 | D58 K59 I60 V64 S65 D66 | D58-E62 WeakPolarHBondContact O-CB 3.34Å; D58-E62 PolarHBondContact O-N 2.9Å; K59-E62 PolarHBondContact O-N 2.57Å; I60-E62 VanDerWaalsContact C-N 3.32Å; I60-E62 PolarHBondContact O-N 3.24Å; E62-V64 VanDerWaalsContact C-N 3.31Å; E62-V64 PolarHBondContact O-N 3.49Å; E62-S65 WeakPolarHBondContact O-CB 3.16Å; E62-S65 PolarHBondContact O-N 3.32Å; E62-S65 VanDerWaalsContact O-N 3.12Å; E62-D66 PolarHBondContact O-N 3.27Å |
| 63 | V | 93.5 | Very high | 90 | Very high | 92 Ų | 92 | 74.9 Ų | 74.9 | 56% | 0.558 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.9 | -41.7 | 177.4 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | K59 I60 D66 A67 | K59-V63 WeakPolarHBondContact O-CG2 3.32Å; K59-V63 PolarHBondContact O-N 3.45Å; I60-V63 PolarHBondContact O-N 3.34Å; V63-D66 PolarHBondContact O-N 2.95Å; V63-A67 WeakPolarHBondContact O-CB 3.19Å; V63-A67 PolarHBondContact O-N 2.94Å |
| 64 | V | 92 | Very high | 89.2 | Confident | 55 Ų | 55 | 77.9 Ų | 77.9 | 33% | 0.333 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 176.6 | 170.3 | 0 | 0 | 0 | 0 | 111 | I60 L61 E62 A67 A68 I74 | I60-V64 HydrophobicContact CG2-CG2 4.4Å; I60-V64 WeakPolarHBondContact O-CB 3.43Å; I60-V64 VanDerWaalsContact O-CG2 3.28Å; I60-V64 WeakPolarHBondContact O-CG2 3.32Å; I60-V64 PolarHBondContact O-N 2.97Å; L61-V64 PolarHBondContact O-N 3.3Å; E62-V64 VanDerWaalsContact C-N 3.31Å; E62-V64 PolarHBondContact O-N 3.49Å; V64-A67 PolarHBondContact O-N 3.46Å; V64-A68 VanDerWaalsContact O-CB 3.28Å; V64-A68 WeakPolarHBondContact O-CB 3.13Å; V64-A68 PolarHBondContact O-N 3.24Å; V64-I74 HydrophobicContact CG1-CD1 4.1Å; V64-I74 HydrophobicContact CG1-CG1 4.17Å; V64-I74 HydrophobicContact CG1-CG2 3.65Å |
| 65 | S | 91 | Very high | 88.1 | Confident | 77 Ų | 77 | 76.4 Ų | 76.4 | 54% | 0.538 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.2 | -43.7 | 177.2 | -179.8 | 0 | 0 | 0 | 0 | 111.6 | L61 E62 A68 G69 | L61-S65 VanDerWaalsContact O-CB 3.23Å; L61-S65 WeakPolarHBondContact O-CB 3.37Å; L61-S65 PolarHBondContact O-N 3.05Å; E62-S65 WeakPolarHBondContact O-CB 3.16Å; E62-S65 PolarHBondContact O-N 3.32Å; E62-S65 VanDerWaalsContact O-N 3.12Å; S65-A68 PolarHBondContact O-N 3Å; S65-G69 PolarHBondContact O-N 3.31Å |
| 66 | D | 90.6 | Very high | 86.7 | Confident | 100 Ų | 100 | 72.9 Ų | 72.9 | 54% | 0.535 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 178 | -76.8 | -11.5 | 0 | 0 | 0 | 111.9 | E62 V63 A68 G69 Q70 | E62-D66 PolarHBondContact O-N 3.27Å; V63-D66 PolarHBondContact O-N 2.95Å; D66-A68 PolarHBondContact O-N 3.35Å; D66-G69 PolarHBondContact O-N 2.96Å; D66-Q70 PolarHBondContact O-N 2.96Å; D66-Q70 VanDerWaalsContact O-N 3.16Å |
| 67 | A | 88.4 | Confident | 85.1 | Confident | 42 Ų | 42 | 75.2 Ų | 75.2 | 35% | 0.347 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62.5 | -42.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | V63 V64 G69 Q70 V72 | V63-A67 WeakPolarHBondContact O-CB 3.19Å; V63-A67 PolarHBondContact O-N 2.94Å; V64-A67 PolarHBondContact O-N 3.46Å; A67-G69 VanDerWaalsContact C-N 3.31Å; A67-G69 PolarHBondContact O-N 3.1Å; A67-Q70 PolarHBondContact O-N 3.36Å; A67-V72 WeakPolarHBondContact O-CB 3.16Å; A67-V72 PolarHBondContact O-N 3.15Å |
| 68 | A | 86.1 | Confident | 83.5 | Confident | 33 Ų | 33 | 82.2 Ų | 82.2 | 27% | 0.273 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.9 | -39.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V64 S65 D66 Q70 G71 I74 | V64-A68 VanDerWaalsContact O-CB 3.28Å; V64-A68 WeakPolarHBondContact O-CB 3.13Å; V64-A68 PolarHBondContact O-N 3.24Å; S65-A68 PolarHBondContact O-N 3Å; D66-A68 PolarHBondContact O-N 3.35Å; A68-Q70 PolarHBondContact O-N 2.96Å; A68-G71 WeakPolarHBondContact O-CA 3.13Å; A68-G71 PolarHBondContact O-N 3.38Å; A68-I74 HydrophobicContact CB-CD1 3.57Å; A68-I74 HydrophobicContact CB-CG1 3.65Å |
| 69 | G | 83.4 | Confident | 82.1 | Confident | 38 Ų | 38 | 84.8 Ų | 84.8 | 39% | 0.392 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.9 | -28.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S65 D66 A67 G71 K107 | S65-G69 PolarHBondContact O-N 3.31Å; D66-G69 PolarHBondContact O-N 2.96Å; A67-G69 VanDerWaalsContact C-N 3.31Å; A67-G69 PolarHBondContact O-N 3.1Å; G69-G71 VanDerWaalsContact C-N 3.29Å; G69-K107 WeakPolarHBondContact O-CE 3.33Å; G69-K107 PolarHBondContact O-NZ 3.49Å |
| 70 | Q | 84.6 | Confident | 80.8 | Confident | 127 Ų | 127 | 80.7 Ų | 80.7 | 59% | 0.593 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -6.9 | 172.5 | -61.1 | -55.3 | -36 | 0 | 0 | 113.8 | D66 A67 A68 | D66-Q70 PolarHBondContact O-N 2.96Å; D66-Q70 VanDerWaalsContact O-N 3.16Å; A67-Q70 PolarHBondContact O-N 3.36Å; A68-Q70 PolarHBondContact O-N 2.96Å |
| 71 | G | 79.3 | Confident | 79.9 | Confident | 32 Ų | 32 | 81.1 Ų | 81.1 | 33% | 0.33 | 49% | 0.487 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 88.9 | 19.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | A68 G69 N82 | A68-G71 WeakPolarHBondContact O-CA 3.13Å; A68-G71 PolarHBondContact O-N 3.38Å; G69-G71 VanDerWaalsContact C-N 3.29Å; G71-N82 PolarHBondContact O-ND2 3.25Å; G71-N82 VanDerWaalsContact O-ND2 3.12Å |
| 72 | V | 82.8 | Confident | 79.1 | Confident | 77 Ų | 77 | 79.8 Ų | 79.8 | 47% | 0.467 | 48% | 0.48 | S | S | . | . | trans | -79.6 | 134.4 | 171.3 | -175.4 | 0 | 0 | 0 | 0 | 109.1 | A67 I74 | A67-V72 WeakPolarHBondContact O-CB 3.16Å; A67-V72 PolarHBondContact O-N 3.15Å; V72-I74 PolarHBondContact O-N 3.49Å | ||
| 73 | T | 77.3 | Confident | 78.8 | Confident | 43 Ų | 43 | 80.1 Ų | 80.1 | 26% | 0.264 | 48% | 0.476 | S | S | . | . | trans | -67.1 | 116.8 | 174.8 | 50.4 | 0 | 0 | 0 | 0 | 109.8 | T75 F80 P215 | T73-T75 PolarHBondContact O-N 3.02Å; T73-F80 HydrophobicContact CG2-CB 4.39Å; T73-P215 HydrophobicContact CG2-CG 4.19Å | ||
| 74 | I | 77.6 | Confident | 78.5 | Confident | 114 Ų | 114 | 78.3 Ų | 78.3 | 59% | 0.585 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -63.1 | -34 | -179.6 | -58 | 172.6 | 0 | 0 | 0 | 111.3 | V64 A68 V72 | V64-I74 HydrophobicContact CG1-CD1 4.1Å; V64-I74 HydrophobicContact CG1-CG1 4.17Å; V64-I74 HydrophobicContact CG1-CG2 3.65Å; A68-I74 HydrophobicContact CB-CD1 3.57Å; A68-I74 HydrophobicContact CB-CG1 3.65Å; V72-I74 PolarHBondContact O-N 3.49Å |
| 75 | T | 70.1 | Confident | 78.3 | Confident | 101 Ų | 101 | 85.4 Ų | 85.4 | 62% | 0.62 | 48% | 0.484 | S | S | * | . | S | Bend | trans | -115.2 | 145.3 | -174.5 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | T73 | T73-T75 PolarHBondContact O-N 3.02Š|
| 76 | G | 64.1 | Low | 78 | Confident | 50 Ų | 50 | 84.1 Ų | 84.1 | 52% | 0.515 | 47% | 0.474 | S | S | . | . | trans | 108.6 | 146.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K78 | G76-K78 VanDerWaalsContact C-N 3.29Š| ||
| 77 | S | 60.3 | Low | 77.8 | Confident | 128 Ų | 128 | 79.4 Ų | 79.4 | 90% | 0.895 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -79.3 | -12 | 177.2 | 56.6 | 0 | 0 | 0 | 0 | 113.4 | ||
| 78 | K | 61.8 | Low | 78 | Confident | 159 Ų | 159 | 78.9 Ų | 78.9 | 69% | 0.691 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -116.3 | 116.1 | 178.9 | -66.1 | -178.5 | -178.8 | 175.9 | 0 | 109 | G76 F80 | G76-K78 VanDerWaalsContact C-N 3.29Å; K78-F80 PolarHBondContact O-N 3.41Å |
| 79 | T | 63.8 | Low | 78.2 | Confident | 112 Ų | 112 | 80.5 Ų | 80.5 | 69% | 0.687 | 45% | 0.45 | S | S | * | . | trans | -67.9 | 117.5 | 169.9 | 54.3 | 0 | 0 | 0 | 0 | 109 | N81 | T79-N81 PolarHBondContact O-N 2.87Š| ||
| 80 | F | 68.8 | Low | 78.4 | Confident | 50 Ų | 50 | 80.2 Ų | 80.2 | 22% | 0.219 | 44% | 0.439 | C | S | . | . | trans | -72.3 | 116.4 | 172.3 | -177.6 | -96.9 | 0 | 0 | 0 | 109 | T73 K78 N82 N87 P215 | T73-F80 HydrophobicContact CG2-CB 4.39Å; K78-F80 PolarHBondContact O-N 3.41Å; F80-N82 WeakPolarHBondContact CD1-OD1 3.49Å; F80-N82 WeakPolarHBondContact CE1-OD1 3.33Å; F80-N82 PolarHBondContact O-N 2.83Å; F80-N87 VanDerWaalsContact CE1-ND2 3.34Å; F80-N87 WeakPolarHBondContact CE1-ND2 3.07Å; F80-N87 WeakPolarHBondContact CZ-ND2 3.36Å; F80-P215 HydrophobicContact CB-CB 4.09Å; F80-P215 HydrophobicContact CB-CG 3.81Å; F80-P215 HydrophobicContact CG-CG 4.43Å | ||
| 81 | N | 75.6 | Confident | 78.8 | Confident | 97 Ų | 97 | 76 Ų | 76 | 52% | 0.519 | 42% | 0.419 | S | S | . | . | trans | -73.3 | 92.2 | 179.8 | -178.2 | 2.7 | 0 | 0 | 0 | 110.6 | T79 W83 N84 N87 | T79-N81 PolarHBondContact O-N 2.87Å; N81-W83 PolarHBondContact O-N 3.34Å; N81-W83 VanDerWaalsContact O-N 3.15Å; N81-W83 PolarHBondContact OD1-N 3.49Å; N81-N84 PolarHBondContact O-N 3.19Å; N81-N84 PolarHBondContact O-ND2 3.14Å; N81-N84 PolarHBondContact OD1-N 3.43Å; N81-N87 PolarHBondContact O-ND2 3.03Å | ||
| 82 | N | 75.8 | Confident | 79.5 | Confident | 28 Ų | 28 | 75.7 Ų | 75.7 | 15% | 0.15 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -20.3 | 178.1 | -77.3 | -38.1 | 0 | 0 | 0 | 114.4 | G71 F80 N87 I104 | G71-N82 PolarHBondContact O-ND2 3.25Å; G71-N82 VanDerWaalsContact O-ND2 3.12Å; F80-N82 WeakPolarHBondContact CD1-OD1 3.49Å; F80-N82 WeakPolarHBondContact CE1-OD1 3.33Å; F80-N82 PolarHBondContact O-N 2.83Å; N82-N87 WeakPolarHBondContact O-CB 3.41Å; N82-I104 HydrophobicContact CB-CD1 3.93Å; N82-I104 HydrophobicContact CB-CG1 4.15Å; N82-I104 HydrophobicContact CB-CG2 4.37Å; N82-I104 WeakPolarHBondContact OD1-CD1 3.31Å |
| 83 | W | 87.2 | Confident | 79.9 | Confident | 128 Ų | 128 | 72.2 Ų | 72.2 | 49% | 0.485 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | 25.1 | -174.7 | -66.8 | 108.6 | 0 | 0 | 0 | 113.9 | N81 F91 I104 | N81-W83 PolarHBondContact O-N 3.34Å; N81-W83 VanDerWaalsContact O-N 3.15Å; N81-W83 PolarHBondContact OD1-N 3.49Å; W83-F91 AromaticContact CH2-CD1 3.95Å; W83-F91 HydrophobicContact CH2-CD1 3.95Å; W83-F91 HydrophobicContact CH2-CD2 4.32Å; W83-F91 AromaticContact CH2-CE1 3.94Å; W83-F91 HydrophobicContact CH2-CE1 3.94Å; W83-F91 HydrophobicContact CH2-CE2 4.31Å; W83-F91 HydrophobicContact CH2-CG 4.15Å; W83-F91 HydrophobicContact CH2-CZ 4.14Å; W83-F91 AromaticContact CZ3-CD1 3.76Å; W83-F91 HydrophobicContact CZ3-CD1 3.76Å; W83-F91 HydrophobicContact CZ3-CE1 4.11Å; W83-F91 HydrophobicContact CZ3-CG 4.09Å; W83-I104 HydrophobicContact CD2-CG2 4.45Å; W83-I104 HydrophobicContact CH2-CG2 3.9Å; W83-I104 HydrophobicContact CZ2-CG2 3.49Å; W83-I104 VanDerWaalsContact CZ2-CG2 3.49Å |
| 84 | N | 88 | Confident | 80.7 | Confident | 54 Ų | 54 | 70.7 Ų | 70.7 | 29% | 0.289 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -68.2 | 162.7 | 164.9 | 70.5 | 30.4 | 0 | 0 | 0 | 111.2 | N81 P86 N87 A88 | N81-N84 PolarHBondContact O-N 3.19Å; N81-N84 PolarHBondContact O-ND2 3.14Å; N81-N84 PolarHBondContact OD1-N 3.43Å; N84-P86 WeakPolarHBondContact OD1-CD 3.32Å; N84-N87 PolarHBondContact ND2-ND2 3.37Å; N84-N87 PolarHBondContact O-N 3.35Å; N84-N87 WeakPolarHBondContact OD1-CB 3.34Å; N84-N87 PolarHBondContact OD1-N 3.3Å; N84-N87 PolarHBondContact OD1-ND2 2.99Å; N84-N87 VanDerWaalsContact OD1-ND2 3.17Å; N84-A88 WeakPolarHBondContact O-CB 3.38Å; N84-A88 PolarHBondContact O-N 2.7Å |
| 85 | W | 88.3 | Confident | 81.6 | Confident | 204 Ų | 204 | 66.6 Ų | 66.6 | 77% | 0.773 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -54.9 | -49.4 | -176 | 175.4 | -100.4 | 0 | 0 | 0 | 114.1 | N87 A88 V89 | W85-N87 VanDerWaalsContact C-N 3.35Å; W85-N87 PolarHBondContact O-N 3.48Å; W85-A88 PolarHBondContact O-N 3.29Å; W85-V89 HydrophobicContact CD2-CG2 4.36Å; W85-V89 HydrophobicContact CZ2-CG2 4.18Å; W85-V89 WeakPolarHBondContact O-CG2 3.44Å; W85-V89 PolarHBondContact O-N 3.36Å |
| 86 | P | 85.1 | Confident | 82.8 | Confident | 49 Ų | 49 | 63.3 Ų | 63.3 | 32% | 0.318 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.7 | -41.5 | 176.2 | -25.6 | 34.6 | 0 | 0 | 0 | 114 | N84 V89 I90 | N84-P86 WeakPolarHBondContact OD1-CD 3.32Å; P86-V89 PolarHBondContact O-N 3.11Å; P86-I90 WeakPolarHBondContact O-CG1 3.34Å; P86-I90 PolarHBondContact O-N 3.4Å; P86-I90 VanDerWaalsContact O-N 3.14Å |
| 87 | N | 86.2 | Confident | 84.2 | Confident | 2 Ų | 2 | 61.1 Ų | 61.1 | 1% | 0.011 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 178 | -71.1 | -20.7 | 0 | 0 | 0 | 111.9 | F80 N81 N82 N84 W85 V89 I90 F91 R224 | F80-N87 VanDerWaalsContact CE1-ND2 3.34Å; F80-N87 WeakPolarHBondContact CE1-ND2 3.07Å; F80-N87 WeakPolarHBondContact CZ-ND2 3.36Å; N81-N87 PolarHBondContact O-ND2 3.03Å; N82-N87 WeakPolarHBondContact O-CB 3.41Å; N84-N87 PolarHBondContact ND2-ND2 3.37Å; N84-N87 PolarHBondContact O-N 3.35Å; N84-N87 WeakPolarHBondContact OD1-CB 3.34Å; N84-N87 PolarHBondContact OD1-N 3.3Å; N84-N87 PolarHBondContact OD1-ND2 2.99Å; N84-N87 VanDerWaalsContact OD1-ND2 3.17Å; W85-N87 VanDerWaalsContact C-N 3.35Å; W85-N87 PolarHBondContact O-N 3.48Å; N87-V89 VanDerWaalsContact C-N 3.31Å; N87-V89 PolarHBondContact O-N 3.45Å; N87-I90 PolarHBondContact O-N 2.9Å; N87-F91 WeakPolarHBondContact O-CB 3.25Å; N87-F91 PolarHBondContact O-N 3.48Å; N87-R224 PolarHBondContact OD1-NH1 2.65Å; N87-R224 PolarHBondContact OD1-NH2 2.92Å |
| 88 | A | 91.4 | Very high | 85.8 | Confident | 30 Ų | 30 | 58.1 Ų | 58.1 | 25% | 0.248 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | N84 W85 F91 A92 | N84-A88 WeakPolarHBondContact O-CB 3.38Å; N84-A88 PolarHBondContact O-N 2.7Å; W85-A88 PolarHBondContact O-N 3.29Å; A88-F91 PolarHBondContact O-N 3.21Å; A88-A92 VanDerWaalsContact O-CB 3.27Å; A88-A92 WeakPolarHBondContact O-CB 3.38Å; A88-A92 PolarHBondContact O-N 2.94Å |
| 89 | V | 90.3 | Very high | 87.4 | Confident | 67 Ų | 67 | 50.8 Ų | 50.8 | 41% | 0.406 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 174.2 | 172 | 0 | 0 | 0 | 0 | 111.3 | W85 P86 N87 A92 A93 | W85-V89 HydrophobicContact CD2-CG2 4.36Å; W85-V89 HydrophobicContact CZ2-CG2 4.18Å; W85-V89 WeakPolarHBondContact O-CG2 3.44Å; W85-V89 PolarHBondContact O-N 3.36Å; P86-V89 PolarHBondContact O-N 3.11Å; N87-V89 VanDerWaalsContact C-N 3.31Å; N87-V89 PolarHBondContact O-N 3.45Å; V89-A92 PolarHBondContact O-N 3.46Å; V89-A93 WeakPolarHBondContact O-CB 3.3Å; V89-A93 PolarHBondContact O-N 3Å |
| 90 | I | 88.6 | Confident | 88.8 | Confident | 32 Ų | 32 | 47.6 Ų | 47.6 | 16% | 0.164 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.8 | -40.7 | 176.9 | -62.9 | 163.9 | 0 | 0 | 0 | 110.5 | P86 N87 A93 T94 R224 | P86-I90 WeakPolarHBondContact O-CG1 3.34Å; P86-I90 PolarHBondContact O-N 3.4Å; P86-I90 VanDerWaalsContact O-N 3.14Å; N87-I90 PolarHBondContact O-N 2.9Å; I90-A93 WeakPolarHBondContact O-CB 3.44Å; I90-A93 PolarHBondContact O-N 3.45Å; I90-T94 HydrophobicContact CG2-CG2 4.41Å; I90-T94 VanDerWaalsContact O-CG2 3.25Å; I90-T94 WeakPolarHBondContact O-CG2 3.1Å; I90-T94 PolarHBondContact O-N 3.17Å; I90-T94 PolarHBondContact O-OG1 3.31Å; I90-R224 HydrophobicContact CD1-CB 4.08Å |
| 91 | F | 91.9 | Very high | 89.9 | Confident | 39 Ų | 39 | 45.9 Ų | 45.9 | 17% | 0.171 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -58.2 | -50.6 | 172.4 | 170.4 | -99.1 | 0 | 0 | 0 | 110.8 | W83 N87 A88 A93 T94 V95 I104 | W83-F91 AromaticContact CH2-CD1 3.95Å; W83-F91 HydrophobicContact CH2-CD1 3.95Å; W83-F91 HydrophobicContact CH2-CD2 4.32Å; W83-F91 AromaticContact CH2-CE1 3.94Å; W83-F91 HydrophobicContact CH2-CE1 3.94Å; W83-F91 HydrophobicContact CH2-CE2 4.31Å; W83-F91 HydrophobicContact CH2-CG 4.15Å; W83-F91 HydrophobicContact CH2-CZ 4.14Å; W83-F91 AromaticContact CZ3-CD1 3.76Å; W83-F91 HydrophobicContact CZ3-CD1 3.76Å; W83-F91 HydrophobicContact CZ3-CE1 4.11Å; W83-F91 HydrophobicContact CZ3-CG 4.09Å; N87-F91 WeakPolarHBondContact O-CB 3.25Å; N87-F91 PolarHBondContact O-N 3.48Å; A88-F91 PolarHBondContact O-N 3.21Å; F91-A93 VanDerWaalsContact C-N 3.26Å; F91-A93 PolarHBondContact O-N 3.42Å; F91-T94 PolarHBondContact O-N 2.86Å; F91-T94 VanDerWaalsContact O-N 3.12Å; F91-T94 PolarHBondContact O-OG1 3.3Å; F91-V95 HydrophobicContact CE1-CG2 4.01Å; F91-V95 HydrophobicContact CE2-CG2 4.01Å; F91-V95 HydrophobicContact CZ-CG2 3.71Å; F91-V95 WeakPolarHBondContact O-CG2 3.39Å; F91-V95 PolarHBondContact O-N 2.93Å; F91-V95 VanDerWaalsContact O-N 3.07Å; F91-I104 HydrophobicContact CD2-CG2 4.41Å; F91-I104 WeakPolarHBondContact CE2-O 3.16Å |
| 92 | A | 94.3 | Very high | 90.4 | Very high | 25 Ų | 25 | 44 Ų | 44 | 21% | 0.207 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59 | -38.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | A88 V89 I96 Y118 | A88-A92 VanDerWaalsContact O-CB 3.27Å; A88-A92 WeakPolarHBondContact O-CB 3.38Å; A88-A92 PolarHBondContact O-N 2.94Å; V89-A92 PolarHBondContact O-N 3.46Å; A92-I96 PolarHBondContact O-N 2.78Å; A92-Y118 HydrophobicContact CB-CE1 4.07Å; A92-Y118 WeakPolarHBondContact O-CE1 3.44Å; A92-Y118 PolarHBondContact O-OH 2.82Å |
| 93 | A | 92.5 | Very high | 90.9 | Very high | 5 Ų | 5 | 45.8 Ų | 45.8 | 4% | 0.041 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | V89 I90 F91 V95 I96 T97 E228 Y232 | V89-A93 WeakPolarHBondContact O-CB 3.3Å; V89-A93 PolarHBondContact O-N 3Å; I90-A93 WeakPolarHBondContact O-CB 3.44Å; I90-A93 PolarHBondContact O-N 3.45Å; F91-A93 VanDerWaalsContact C-N 3.26Å; F91-A93 PolarHBondContact O-N 3.42Å; A93-V95 VanDerWaalsContact C-N 3.27Å; A93-V95 PolarHBondContact O-N 2.69Å; A93-I96 WeakPolarHBondContact O-CG1 3.29Å; A93-I96 PolarHBondContact O-N 2.6Å; A93-T97 WeakPolarHBondContact O-CB 3.41Å; A93-T97 VanDerWaalsContact O-CG2 3.3Å; A93-T97 WeakPolarHBondContact O-CG2 3.32Å; A93-T97 PolarHBondContact O-N 2.72Å; A93-T97 PolarHBondContact O-OG1 3.01Å; A93-E228 WeakPolarHBondContact CB-OE1 3.34Å; A93-Y232 WeakPolarHBondContact CB-OH 3.44Å |
| 94 | T | 93.4 | Very high | 90.8 | Very high | 10 Ų | 10 | 40.6 Ų | 40.6 | 6% | 0.061 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.6 | -29.8 | 179.6 | 60.6 | 0 | 0 | 0 | 0 | 112.6 | I90 F91 T97 T98 I99 G100 Y101 | I90-T94 HydrophobicContact CG2-CG2 4.41Å; I90-T94 VanDerWaalsContact O-CG2 3.25Å; I90-T94 WeakPolarHBondContact O-CG2 3.1Å; I90-T94 PolarHBondContact O-N 3.17Å; I90-T94 PolarHBondContact O-OG1 3.31Å; F91-T94 PolarHBondContact O-N 2.86Å; F91-T94 VanDerWaalsContact O-N 3.12Å; F91-T94 PolarHBondContact O-OG1 3.3Å; T94-T97 WeakPolarHBondContact CA-OG1 3.45Å; T94-T97 PolarHBondContact O-OG1 3.39Å; T94-T98 PolarHBondContact O-N 2.93Å; T94-I99 PolarHBondContact O-N 3.37Å; T94-I99 VanDerWaalsContact O-N 3.14Å; T94-G100 PolarHBondContact O-N 2.98Å; T94-Y101 HydrophobicContact CG2-CD2 3.67Å; T94-Y101 HydrophobicContact CG2-CE2 3.84Å |
| 95 | V | 95.6 | Very high | 90.9 | Very high | 28 Ų | 28 | 39.9 Ų | 39.9 | 17% | 0.17 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -67.8 | -52.4 | 173 | 175 | 0 | 0 | 0 | 0 | 111.2 | F91 A93 T97 T98 Y118 | F91-V95 HydrophobicContact CE1-CG2 4.01Å; F91-V95 HydrophobicContact CE2-CG2 4.01Å; F91-V95 HydrophobicContact CZ-CG2 3.71Å; F91-V95 WeakPolarHBondContact O-CG2 3.39Å; F91-V95 PolarHBondContact O-N 2.93Å; F91-V95 VanDerWaalsContact O-N 3.07Å; A93-V95 VanDerWaalsContact C-N 3.27Å; A93-V95 PolarHBondContact O-N 2.69Å; V95-T97 VanDerWaalsContact C-N 3.33Å; V95-T97 PolarHBondContact O-N 2.54Å; V95-T98 PolarHBondContact O-N 3.21Å; V95-Y118 HydrophobicContact CB-CD1 4.38Å; V95-Y118 HydrophobicContact CB-CE1 4.26Å; V95-Y118 HydrophobicContact CG1-CD1 3.91Å; V95-Y118 HydrophobicContact CG1-CE1 4.23Å |
| 96 | I | 95.7 | Very high | 91.2 | Very high | 32 Ų | 32 | 31.3 Ų | 31.3 | 16% | 0.164 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -72.2 | -26.8 | -175.7 | 64.8 | 177.2 | 0 | 0 | 0 | 113.3 | A92 A93 T98 Y118 C126 | A92-I96 PolarHBondContact O-N 2.78Å; A93-I96 WeakPolarHBondContact O-CG1 3.29Å; A93-I96 PolarHBondContact O-N 2.6Å; I96-T98 PolarHBondContact O-N 3.12Å; I96-Y118 HydrophobicContact CG2-CD1 4.28Å; I96-Y118 HydrophobicContact CG2-CE1 3.48Å; I96-Y118 VanDerWaalsContact CG2-CE1 3.48Å; I96-Y118 WeakPolarHBondContact CG2-OH 3.47Å; I96-C126 HydrophobicContact CB-CB 4.09Å; I96-C126 HydrophobicContact CD1-CB 4.49Å; I96-C126 HydrophobicContact CG1-CB 4.3Å; I96-C126 VanDerWaalsContact O-CB 3.29Å; I96-C126 WeakPolarHBondContact O-CB 3.32Å |
| 97 | T | 93.7 | Very high | 91.4 | Very high | 5 Ų | 5 | 33.3 Ų | 33.3 | 3% | 0.031 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -2.7 | 175 | 52.7 | 0 | 0 | 0 | 0 | 113.2 | A93 T94 V95 I99 Y232 L235 | A93-T97 WeakPolarHBondContact O-CB 3.41Å; A93-T97 VanDerWaalsContact O-CG2 3.3Å; A93-T97 WeakPolarHBondContact O-CG2 3.32Å; A93-T97 PolarHBondContact O-N 2.72Å; A93-T97 PolarHBondContact O-OG1 3.01Å; T94-T97 WeakPolarHBondContact CA-OG1 3.45Å; T94-T97 PolarHBondContact O-OG1 3.39Å; V95-T97 VanDerWaalsContact C-N 3.33Å; V95-T97 PolarHBondContact O-N 2.54Å; T97-I99 PolarHBondContact O-N 3.36Å; T97-I99 WeakPolarHBondContact OG1-CD1 3.23Å; T97-I99 WeakPolarHBondContact OG1-CG1 3.48Å; T97-Y232 HydrophobicContact CG2-CD1 4.19Å; T97-Y232 HydrophobicContact CG2-CE1 3.65Å; T97-L235 HydrophobicContact CG2-CD1 3.85Å |
| 98 | T | 95 | Very high | 91.8 | Very high | 65 Ų | 65 | 37.5 Ų | 37.5 | 40% | 0.399 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.1 | 18.8 | -176.6 | 67.5 | 0 | 0 | 0 | 0 | 114.3 | T94 V95 I96 V123 | T94-T98 PolarHBondContact O-N 2.93Å; V95-T98 PolarHBondContact O-N 3.21Å; I96-T98 PolarHBondContact O-N 3.12Å; T98-V123 HydrophobicContact CG2-CB 4.23Å; T98-V123 HydrophobicContact CG2-CG1 3.47Å; T98-V123 VanDerWaalsContact CG2-CG1 3.47Å; T98-V123 HydrophobicContact CG2-CG2 3.69Å |
| 99 | I | 94.7 | Very high | 92 | Very high | 5 Ų | 5 | 40.6 Ų | 40.6 | 3% | 0.026 | 26% | 0.261 | C | S | . | . | trans | -74.1 | -52.5 | 174.3 | -62.1 | 169.8 | 0 | 0 | 0 | 109.2 | T94 T97 Y101 T200 T203 G205 I231 L235 | T94-I99 PolarHBondContact O-N 3.37Å; T94-I99 VanDerWaalsContact O-N 3.14Å; T97-I99 PolarHBondContact O-N 3.36Å; T97-I99 WeakPolarHBondContact OG1-CD1 3.23Å; T97-I99 WeakPolarHBondContact OG1-CG1 3.48Å; I99-Y101 HydrophobicContact CG2-CD1 3.92Å; I99-Y101 HydrophobicContact CG2-CD2 4.27Å; I99-Y101 HydrophobicContact CG2-CE1 3.69Å; I99-Y101 HydrophobicContact CG2-CE2 4.06Å; I99-Y101 HydrophobicContact CG2-CG 4.21Å; I99-T200 HydrophobicContact CD1-CG2 4.24Å; I99-T203 HydrophobicContact CG1-CG2 4.07Å; I99-G205 WeakPolarHBondContact O-CA 3.44Å; I99-I231 HydrophobicContact CD1-CG2 3.57Å; I99-L235 HydrophobicContact CD1-CD1 4.45Å | ||
| 100 | G | 92.8 | Very high | 92.4 | Very high | 44 Ų | 44 | 45.2 Ų | 45.2 | 45% | 0.454 | 28% | 0.278 | S | S | . | . | trans | 53 | 58.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | T94 G102 | T94-G100 PolarHBondContact O-N 2.98Å; G100-G102 PolarHBondContact O-N 3.34Å | ||
| 101 | Y | 91.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 44.7 Ų | 44.7 | 6% | 0.055 | 28% | 0.28 | C | S | . | . | trans | -49.2 | -33 | -178.4 | -70 | -57.6 | 0 | 0 | 0 | 114.4 | T94 I99 N103 F196 T200 G205 F206 G207 V210 | T94-Y101 HydrophobicContact CG2-CD2 3.67Å; T94-Y101 HydrophobicContact CG2-CE2 3.84Å; I99-Y101 HydrophobicContact CG2-CD1 3.92Å; I99-Y101 HydrophobicContact CG2-CD2 4.27Å; I99-Y101 HydrophobicContact CG2-CE1 3.69Å; I99-Y101 HydrophobicContact CG2-CE2 4.06Å; I99-Y101 HydrophobicContact CG2-CG 4.21Å; Y101-N103 WeakPolarHBondContact CB-OD1 3.36Å; Y101-N103 PolarHBondContact O-N 3.27Å; Y101-N103 VanDerWaalsContact O-N 3.11Å; Y101-F196 HydrophobicContact CE1-CE2 4.12Å; Y101-F196 WeakPolarHBondContact OH-CE2 3.43Å; Y101-T200 WeakPolarHBondContact OH-CG2 3.46Å; Y101-T200 PolarHBondContact OH-OG1 3.22Å; Y101-G205 VanDerWaalsContact CA-O 3.3Å; Y101-G205 WeakPolarHBondContact CA-O 3.44Å; Y101-F206 CarbonylContact O-C 3.51Å; Y101-G207 WeakPolarHBondContact O-CA 3.4Å; Y101-G207 PolarHBondContact O-N 3.02Å; Y101-V210 HydrophobicContact CD1-CG2 4.14Å; Y101-V210 HydrophobicContact CD2-CG1 4.34Å; Y101-V210 HydrophobicContact CD2-CG2 4.3Å; Y101-V210 HydrophobicContact CE2-CG1 4.42Å; Y101-V210 HydrophobicContact CG-CG2 3.96Å | ||
| 102 | G | 87.7 | Confident | 92.9 | Very high | 57 Ų | 57 | 49.2 Ų | 49.2 | 59% | 0.588 | 30% | 0.296 | S | S | * | . | trans | 75.8 | -3.1 | 176 | 0 | 0 | 0 | 0 | 0 | 115.1 | G100 I104 | G100-G102 PolarHBondContact O-N 3.34Å; G102-I104 PolarHBondContact O-N 2.94Å | ||
| 103 | N | 84.8 | Confident | 93.1 | Very high | 66 Ų | 66 | 51.8 Ų | 51.8 | 35% | 0.353 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -63.3 | -27.8 | 169.8 | 67.1 | -40.9 | 0 | 0 | 0 | 112.5 | Y101 V210 | Y101-N103 WeakPolarHBondContact CB-OD1 3.36Å; Y101-N103 PolarHBondContact O-N 3.27Å; Y101-N103 VanDerWaalsContact O-N 3.11Å; N103-V210 HydrophobicContact CB-CG2 4.38Å |
| 104 | I | 86.4 | Confident | 93.3 | Very high | 20 Ų | 20 | 58.1 Ų | 58.1 | 10% | 0.103 | 34% | 0.336 | C | S | . | . | S | Bend | trans | -128.7 | 130.6 | 173 | -56.9 | 169.2 | 0 | 0 | 0 | 107.8 | N82 W83 F91 G102 | N82-I104 HydrophobicContact CB-CD1 3.93Å; N82-I104 HydrophobicContact CB-CG1 4.15Å; N82-I104 HydrophobicContact CB-CG2 4.37Å; N82-I104 WeakPolarHBondContact OD1-CD1 3.31Å; W83-I104 HydrophobicContact CD2-CG2 4.45Å; W83-I104 HydrophobicContact CH2-CG2 3.9Å; W83-I104 HydrophobicContact CZ2-CG2 3.49Å; W83-I104 VanDerWaalsContact CZ2-CG2 3.49Å; F91-I104 HydrophobicContact CD2-CG2 4.41Å; F91-I104 WeakPolarHBondContact CE2-O 3.16Å; G102-I104 PolarHBondContact O-N 2.94Å |
| 105 | A | 90.1 | Very high | 93.5 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 31% | 0.314 | 34% | 0.343 | S | S | . | . | trans | -148.3 | 147.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | K107 | A105-K107 PolarHBondContact O-N 3.23Š| ||
| 106 | P | 93.1 | Very high | 93.6 | Very high | 25 Ų | 25 | 63.4 Ų | 63.4 | 16% | 0.162 | 36% | 0.363 | C | S | . | . | trans | -65.7 | 126.6 | 177.9 | 26.6 | -33.5 | 0 | 0 | 0 | 111.1 | R112 C115 | P106-R112 HydrophobicContact CB-CG 4.32Å; P106-R112 HydrophobicContact CG-CG 4.17Å; P106-R112 WeakPolarHBondContact O-CG 3.35Å; P106-R112 PolarHBondContact O-NE 2.99Å; P106-R112 VanDerWaalsContact O-NE 3.17Å; P106-C115 HydrophobicContact CG-CB 4.17Å | ||
| 107 | K | 90.5 | Very high | 93.7 | Very high | 91 Ų | 91 | 67.3 Ų | 67.3 | 40% | 0.396 | 38% | 0.38 | S | S | . | . | trans | -98.4 | -22.5 | 179.4 | -55.4 | -62.8 | 172.8 | 164.4 | 0 | 112.8 | G69 A105 | G69-K107 WeakPolarHBondContact O-CE 3.33Å; G69-K107 PolarHBondContact O-NZ 3.49Å; A105-K107 PolarHBondContact O-N 3.23Å | ||
| 108 | T | 94.3 | Very high | 93.8 | Very high | 89 Ų | 89 | 70.7 Ų | 70.7 | 55% | 0.546 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -78.5 | 145 | 176.7 | 58.9 | 0 | 0 | 0 | 0 | 111.4 | E110 G111 R112 | T108-E110 VanDerWaalsContact C-N 3.3Å; T108-E110 PolarHBondContact O-N 3.03Å; T108-G111 PolarHBondContact O-N 3.45Å; T108-G111 PolarHBondContact OG1-N 2.83Å; T108-G111 VanDerWaalsContact OG1-N 3.16Å; T108-R112 WeakPolarHBondContact O-CG 3.29Å; T108-R112 PolarHBondContact O-N 3.28Å |
| 109 | S | 96.3 | Very high | 93.9 | Very high | 95 Ų | 95 | 68.3 Ų | 68.3 | 66% | 0.664 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -58.1 | -44.2 | 176 | -56 | 0 | 0 | 0 | 0 | 111.5 | G111 R112 V113 | S109-G111 PolarHBondContact O-N 3.42Å; S109-R112 PolarHBondContact O-N 3.46Å; S109-V113 WeakPolarHBondContact O-CG2 3.32Å; S109-V113 PolarHBondContact O-N 3.28Å |
| 110 | E | 96.9 | Very high | 94 | Very high | 165 Ų | 165 | 73.2 Ų | 73.2 | 77% | 0.771 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.6 | -45.4 | 176.5 | -63 | 176.7 | 179.6 | 0 | 0 | 112.1 | T108 R112 V113 F114 | T108-E110 VanDerWaalsContact C-N 3.3Å; T108-E110 PolarHBondContact O-N 3.03Å; E110-R112 VanDerWaalsContact C-N 3.32Å; E110-R112 PolarHBondContact O-N 3.19Å; E110-V113 PolarHBondContact O-N 3.35Å; E110-F114 WeakPolarHBondContact O-CB 3.46Å; E110-F114 PolarHBondContact O-N 2.93Å |
| 111 | G | 95.8 | Very high | 94.2 | Very high | 20 Ų | 20 | 78 Ų | 78 | 21% | 0.206 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -64.3 | -35.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T108 S109 C115 | T108-G111 PolarHBondContact O-N 3.45Å; T108-G111 PolarHBondContact OG1-N 2.83Å; T108-G111 VanDerWaalsContact OG1-N 3.16Å; S109-G111 PolarHBondContact O-N 3.42Å; G111-C115 VanDerWaalsContact O-CB 3.28Å; G111-C115 WeakPolarHBondContact O-CB 3.29Å; G111-C115 PolarHBondContact O-N 2.85Å |
| 112 | R | 96.2 | Very high | 94.4 | Very high | 135 Ų | 135 | 78 Ų | 78 | 51% | 0.509 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -67.5 | -46 | 174.6 | -71.2 | 174.2 | -179.3 | 179.1 | 1.1 | 111.7 | P106 T108 S109 E110 F114 C115 I116 | P106-R112 HydrophobicContact CB-CG 4.32Å; P106-R112 HydrophobicContact CG-CG 4.17Å; P106-R112 WeakPolarHBondContact O-CG 3.35Å; P106-R112 PolarHBondContact O-NE 2.99Å; P106-R112 VanDerWaalsContact O-NE 3.17Å; T108-R112 WeakPolarHBondContact O-CG 3.29Å; T108-R112 PolarHBondContact O-N 3.28Å; S109-R112 PolarHBondContact O-N 3.46Å; E110-R112 VanDerWaalsContact C-N 3.32Å; E110-R112 PolarHBondContact O-N 3.19Å; R112-F114 VanDerWaalsContact C-N 3.35Å; R112-F114 PolarHBondContact O-N 3.47Å; R112-C115 WeakPolarHBondContact O-CB 3.43Å; R112-C115 PolarHBondContact O-N 3.28Å; R112-I116 WeakPolarHBondContact O-CG1 3.3Å; R112-I116 PolarHBondContact O-N 3.26Å |
| 113 | V | 97.9 | Very high | 94.8 | Very high | 78 Ų | 78 | 76.9 Ų | 76.9 | 47% | 0.473 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 176.2 | 173.4 | 0 | 0 | 0 | 0 | 110.6 | S109 E110 C115 I116 F117 | S109-V113 WeakPolarHBondContact O-CG2 3.32Å; S109-V113 PolarHBondContact O-N 3.28Å; E110-V113 PolarHBondContact O-N 3.35Å; V113-C115 VanDerWaalsContact C-N 3.34Å; V113-C115 PolarHBondContact O-N 3.48Å; V113-I116 WeakPolarHBondContact O-CB 3.44Å; V113-I116 PolarHBondContact O-N 3.46Å; V113-F117 HydrophobicContact CG1-CD2 4.13Å; V113-F117 HydrophobicContact CG1-CE2 3.79Å; V113-F117 VanDerWaalsContact O-CD2 3.29Å; V113-F117 WeakPolarHBondContact O-CD2 3.45Å; V113-F117 PolarHBondContact O-N 3.41Å |
| 114 | F | 97.6 | Very high | 95.3 | Very high | 139 Ų | 139 | 77 Ų | 77 | 61% | 0.61 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -59.1 | -44.3 | 174.4 | 176 | -102.3 | 0 | 0 | 0 | 112.1 | E110 R112 I116 F117 Y118 | E110-F114 WeakPolarHBondContact O-CB 3.46Å; E110-F114 PolarHBondContact O-N 2.93Å; R112-F114 VanDerWaalsContact C-N 3.35Å; R112-F114 PolarHBondContact O-N 3.47Å; F114-I116 VanDerWaalsContact C-N 3.26Å; F114-I116 PolarHBondContact O-N 2.98Å; F114-F117 PolarHBondContact O-N 3.32Å; F114-Y118 HydrophobicContact CE1-CG 4.37Å; F114-Y118 HydrophobicContact CZ-CD2 4.25Å; F114-Y118 HydrophobicContact CZ-CG 4.49Å; F114-Y118 VanDerWaalsContact O-CB 3.29Å; F114-Y118 WeakPolarHBondContact O-CB 3.29Å; F114-Y118 PolarHBondContact O-N 3.2Å |
| 115 | C | 96.9 | Very high | 95.7 | Very high | 32 Ų | 32 | 81.8 Ų | 81.8 | 22% | 0.216 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -60.5 | -34.3 | 178.8 | -168.6 | 0 | 0 | 0 | 0 | 112.7 | P106 G111 R112 V113 G119 | P106-C115 HydrophobicContact CG-CB 4.17Å; G111-C115 VanDerWaalsContact O-CB 3.28Å; G111-C115 WeakPolarHBondContact O-CB 3.29Å; G111-C115 PolarHBondContact O-N 2.85Å; R112-C115 WeakPolarHBondContact O-CB 3.43Å; R112-C115 PolarHBondContact O-N 3.28Å; V113-C115 VanDerWaalsContact C-N 3.34Å; V113-C115 PolarHBondContact O-N 3.48Å; C115-G119 PolarHBondContact O-N 3.1Å |
| 116 | I | 97.3 | Very high | 95.9 | Very high | 116 Ų | 116 | 80 Ų | 80 | 60% | 0.595 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.1 | -53.1 | 175.6 | -67.9 | 165.2 | 0 | 0 | 0 | 110.2 | R112 V113 F114 Y118 G119 L120 | R112-I116 WeakPolarHBondContact O-CG1 3.3Å; R112-I116 PolarHBondContact O-N 3.26Å; V113-I116 WeakPolarHBondContact O-CB 3.44Å; V113-I116 PolarHBondContact O-N 3.46Å; F114-I116 VanDerWaalsContact C-N 3.26Å; F114-I116 PolarHBondContact O-N 2.98Å; I116-Y118 PolarHBondContact O-N 2.91Å; I116-G119 PolarHBondContact O-N 3.38Å; I116-L120 WeakPolarHBondContact O-CB 3.29Å; I116-L120 PolarHBondContact O-N 2.85Å |
| 117 | F | 97.8 | Very high | 95.7 | Very high | 115 Ų | 115 | 83.5 Ų | 83.5 | 50% | 0.504 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.9 | -40.8 | 178.8 | -70.2 | -69 | 0 | 0 | 0 | 112 | V113 F114 G119 L120 F121 | V113-F117 HydrophobicContact CG1-CD2 4.13Å; V113-F117 HydrophobicContact CG1-CE2 3.79Å; V113-F117 VanDerWaalsContact O-CD2 3.29Å; V113-F117 WeakPolarHBondContact O-CD2 3.45Å; V113-F117 PolarHBondContact O-N 3.41Å; F114-F117 PolarHBondContact O-N 3.32Å; F117-G119 PolarHBondContact O-N 3.04Å; F117-L120 PolarHBondContact O-N 3.47Å; F117-F121 HydrophobicContact CD1-CE2 4.39Å; F117-F121 WeakPolarHBondContact O-CD2 3.24Å; F117-F121 PolarHBondContact O-N 3.43Å |
| 118 | Y | 97.6 | Very high | 95.8 | Very high | 75 Ų | 75 | 83.3 Ų | 83.3 | 29% | 0.294 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61 | -43.3 | 177.4 | -175.8 | -107 | 0 | 0 | 0 | 111.9 | A92 V95 I96 F114 I116 G122 | A92-Y118 HydrophobicContact CB-CE1 4.07Å; A92-Y118 WeakPolarHBondContact O-CE1 3.44Å; A92-Y118 PolarHBondContact O-OH 2.82Å; V95-Y118 HydrophobicContact CB-CD1 4.38Å; V95-Y118 HydrophobicContact CB-CE1 4.26Å; V95-Y118 HydrophobicContact CG1-CD1 3.91Å; V95-Y118 HydrophobicContact CG1-CE1 4.23Å; I96-Y118 HydrophobicContact CG2-CD1 4.28Å; I96-Y118 HydrophobicContact CG2-CE1 3.48Å; I96-Y118 VanDerWaalsContact CG2-CE1 3.48Å; I96-Y118 WeakPolarHBondContact CG2-OH 3.47Å; F114-Y118 HydrophobicContact CE1-CG 4.37Å; F114-Y118 HydrophobicContact CZ-CD2 4.25Å; F114-Y118 HydrophobicContact CZ-CG 4.49Å; F114-Y118 VanDerWaalsContact O-CB 3.29Å; F114-Y118 WeakPolarHBondContact O-CB 3.29Å; F114-Y118 PolarHBondContact O-N 3.2Å; I116-Y118 PolarHBondContact O-N 2.91Å; Y118-G122 VanDerWaalsContact O-CA 3.31Å; Y118-G122 WeakPolarHBondContact O-CA 3.02Å; Y118-G122 PolarHBondContact O-N 3.16Å |
| 119 | G | 96.4 | Very high | 95.7 | Very high | 16 Ų | 16 | 84 Ų | 84 | 17% | 0.165 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | C115 I116 F117 F121 G122 V123 | C115-G119 PolarHBondContact O-N 3.1Å; I116-G119 PolarHBondContact O-N 3.38Å; F117-G119 PolarHBondContact O-N 3.04Å; G119-F121 VanDerWaalsContact C-N 3.34Å; G119-F121 PolarHBondContact O-N 2.89Å; G119-G122 PolarHBondContact O-N 2.95Å; G119-V123 WeakPolarHBondContact O-CB 3.35Å; G119-V123 WeakPolarHBondContact O-CG2 3.39Å; G119-V123 PolarHBondContact O-N 2.98Å |
| 120 | L | 96.5 | Very high | 95.3 | Very high | 108 Ų | 108 | 80.3 Ų | 80.3 | 57% | 0.565 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -57 | -44.1 | -178.8 | -178.6 | 65.3 | 0 | 0 | 0 | 112.6 | I116 F117 P124 | I116-L120 WeakPolarHBondContact O-CB 3.29Å; I116-L120 PolarHBondContact O-N 2.85Å; F117-L120 PolarHBondContact O-N 3.47Å; L120-P124 WeakPolarHBondContact O-CD 3.37Å; L120-P124 WeakPolarHBondContact O-CG 3.47Å |
| 121 | F | 96.1 | Very high | 94.8 | Very high | 145 Ų | 145 | 74.2 Ų | 74.2 | 64% | 0.636 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -90.4 | -35.3 | 179.2 | -61.4 | -65.6 | 0 | 0 | 0 | 113 | F117 G119 L125 | F117-F121 HydrophobicContact CD1-CE2 4.39Å; F117-F121 WeakPolarHBondContact O-CD2 3.24Å; F117-F121 PolarHBondContact O-N 3.43Å; G119-F121 VanDerWaalsContact C-N 3.34Å; G119-F121 PolarHBondContact O-N 2.89Å; F121-L125 WeakPolarHBondContact O-CB 3.44Å; F121-L125 PolarHBondContact O-N 2.94Å |
| 122 | G | 96.6 | Very high | 94.5 | Very high | 12 Ų | 12 | 79.4 Ų | 79.4 | 12% | 0.124 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -72.3 | -39.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y118 G119 L125 C126 | Y118-G122 VanDerWaalsContact O-CA 3.31Å; Y118-G122 WeakPolarHBondContact O-CA 3.02Å; Y118-G122 PolarHBondContact O-N 3.16Å; G119-G122 PolarHBondContact O-N 2.95Å; G122-L125 PolarHBondContact O-N 3.32Å; G122-C126 WeakPolarHBondContact O-CB 3.5Å; G122-C126 PolarHBondContact O-N 2.74Å |
| 123 | V | 95.9 | Very high | 94.1 | Very high | 34 Ų | 34 | 75.1 Ų | 75.1 | 21% | 0.206 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.1 | -50.8 | -178.5 | 170.9 | 0 | 0 | 0 | 0 | 112.1 | T98 G119 L125 C126 L127 | T98-V123 HydrophobicContact CG2-CB 4.23Å; T98-V123 HydrophobicContact CG2-CG1 3.47Å; T98-V123 VanDerWaalsContact CG2-CG1 3.47Å; T98-V123 HydrophobicContact CG2-CG2 3.69Å; G119-V123 WeakPolarHBondContact O-CB 3.35Å; G119-V123 WeakPolarHBondContact O-CG2 3.39Å; G119-V123 PolarHBondContact O-N 2.98Å; V123-L125 VanDerWaalsContact C-N 3.31Å; V123-L125 PolarHBondContact O-N 2.84Å; V123-C126 PolarHBondContact O-N 3.06Å; V123-L127 HydrophobicContact CG1-CD1 4.01Å; V123-L127 HydrophobicContact CG1-CG 4.37Å; V123-L127 WeakPolarHBondContact O-CG 3.32Å; V123-L127 PolarHBondContact O-N 3.41Å |
| 124 | P | 95.9 | Very high | 93.4 | Very high | 70 Ų | 70 | 71.4 Ų | 71.4 | 46% | 0.455 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58 | -42.7 | 175.9 | -25.4 | 35.2 | 0 | 0 | 0 | 112.8 | L120 L127 T128 | L120-P124 WeakPolarHBondContact O-CD 3.37Å; L120-P124 WeakPolarHBondContact O-CG 3.47Å; P124-L127 PolarHBondContact O-N 3.25Å; P124-T128 WeakPolarHBondContact O-CG2 3.2Å; P124-T128 PolarHBondContact O-N 3.36Å |
| 125 | L | 94.5 | Very high | 92.8 | Very high | 119 Ų | 119 | 71.4 Ų | 71.4 | 62% | 0.623 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.1 | -46.4 | 178.1 | -175.4 | 136.5 | 0 | 0 | 0 | 111.4 | F121 G122 V123 L127 T128 W129 | F121-L125 WeakPolarHBondContact O-CB 3.44Å; F121-L125 PolarHBondContact O-N 2.94Å; G122-L125 PolarHBondContact O-N 3.32Å; V123-L125 VanDerWaalsContact C-N 3.31Å; V123-L125 PolarHBondContact O-N 2.84Å; L125-L127 PolarHBondContact O-N 2.96Å; L125-T128 PolarHBondContact O-N 3.46Å; L125-T128 PolarHBondContact O-OG1 3.22Å; L125-W129 PolarHBondContact O-N 3Å |
| 126 | C | 93.5 | Very high | 92.2 | Very high | 2 Ų | 2 | 74.6 Ų | 74.6 | 1% | 0.014 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 176.6 | -169.1 | 0 | 0 | 0 | 0 | 112.1 | I96 G122 V123 T128 W129 I130 | I96-C126 HydrophobicContact CB-CB 4.09Å; I96-C126 HydrophobicContact CD1-CB 4.49Å; I96-C126 HydrophobicContact CG1-CB 4.3Å; I96-C126 VanDerWaalsContact O-CB 3.29Å; I96-C126 WeakPolarHBondContact O-CB 3.32Å; G122-C126 WeakPolarHBondContact O-CB 3.5Å; G122-C126 PolarHBondContact O-N 2.74Å; V123-C126 PolarHBondContact O-N 3.06Å; C126-T128 VanDerWaalsContact C-N 3.34Å; C126-T128 PolarHBondContact O-N 3.34Å; C126-W129 PolarHBondContact O-N 3.37Å; C126-I130 WeakPolarHBondContact O-CB 3.36Å; C126-I130 VanDerWaalsContact O-CG1 3.32Å; C126-I130 WeakPolarHBondContact O-CG1 3.38Å; C126-I130 PolarHBondContact O-N 3.33Å |
| 127 | L | 90.1 | Very high | 91.4 | Very high | 98 Ų | 98 | 71.7 Ų | 71.7 | 51% | 0.513 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.6 | -38.8 | 177.2 | -71 | 175.3 | 0 | 0 | 0 | 112.6 | V123 P124 L125 S131 | V123-L127 HydrophobicContact CG1-CD1 4.01Å; V123-L127 HydrophobicContact CG1-CG 4.37Å; V123-L127 WeakPolarHBondContact O-CG 3.32Å; V123-L127 PolarHBondContact O-N 3.41Å; P124-L127 PolarHBondContact O-N 3.25Å; L125-L127 PolarHBondContact O-N 2.96Å; L127-S131 VanDerWaalsContact O-CB 3.3Å; L127-S131 WeakPolarHBondContact O-CB 3.47Å; L127-S131 PolarHBondContact O-N 2.9Å |
| 128 | T | 91.4 | Very high | 90.6 | Very high | 86 Ų | 86 | 67 Ų | 67 | 53% | 0.528 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.7 | -44.7 | 174 | 59.7 | 0 | 0 | 0 | 0 | 111.5 | P124 L125 C126 S131 E132 | P124-T128 WeakPolarHBondContact O-CG2 3.2Å; P124-T128 PolarHBondContact O-N 3.36Å; L125-T128 PolarHBondContact O-N 3.46Å; L125-T128 PolarHBondContact O-OG1 3.22Å; C126-T128 VanDerWaalsContact C-N 3.34Å; C126-T128 PolarHBondContact O-N 3.34Å; T128-S131 WeakPolarHBondContact O-CB 3.41Å; T128-S131 PolarHBondContact O-N 3.19Å; T128-E132 WeakPolarHBondContact O-CG 3.36Å; T128-E132 PolarHBondContact O-N 3.18Å |
| 129 | W | 91.9 | Very high | 89.8 | Confident | 105 Ų | 105 | 65.2 Ų | 65.2 | 40% | 0.398 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.7 | -46.6 | 177 | 176 | 63.8 | 0 | 0 | 0 | 112.5 | L125 C126 S131 E132 L133 Y232 | L125-W129 PolarHBondContact O-N 3Å; C126-W129 PolarHBondContact O-N 3.37Å; W129-S131 VanDerWaalsContact C-N 3.29Å; W129-S131 PolarHBondContact O-N 2.87Å; W129-E132 PolarHBondContact O-N 3.42Å; W129-L133 HydrophobicContact CD2-CD1 3.89Å; W129-L133 VanDerWaalsContact CE2-CD1 3.47Å; W129-L133 HydrophobicContact CE3-CD1 4.26Å; W129-L133 HydrophobicContact CH2-CD1 3.96Å; W129-L133 HydrophobicContact CZ2-CD1 3.54Å; W129-L133 HydrophobicContact CZ3-CD1 4.29Å; W129-L133 WeakPolarHBondContact O-CG 3.37Å; W129-L133 PolarHBondContact O-N 3.46Å; W129-Y232 AromaticContact CH2-CD1 3.98Å; W129-Y232 HydrophobicContact CH2-CD1 3.98Å; W129-Y232 HydrophobicContact CH2-CD2 4.16Å; W129-Y232 HydrophobicContact CH2-CE1 4.41Å; W129-Y232 AromaticContact CH2-CG 3.86Å; W129-Y232 HydrophobicContact CH2-CG 3.86Å; W129-Y232 AromaticContact CZ3-CD1 3.71Å; W129-Y232 HydrophobicContact CZ3-CD1 3.71Å; W129-Y232 HydrophobicContact CZ3-CE1 4.04Å; W129-Y232 HydrophobicContact CZ3-CG 4.09Å |
| 130 | I | 89 | Confident | 89 | Confident | 16 Ų | 16 | 71.8 Ų | 71.8 | 8% | 0.082 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.3 | -39.8 | 175.6 | -70.6 | 169.4 | 0 | 0 | 0 | 110.8 | C126 L133 G134 L235 S239 | C126-I130 WeakPolarHBondContact O-CB 3.36Å; C126-I130 VanDerWaalsContact O-CG1 3.32Å; C126-I130 WeakPolarHBondContact O-CG1 3.38Å; C126-I130 PolarHBondContact O-N 3.33Å; I130-L133 PolarHBondContact O-N 2.94Å; I130-G134 PolarHBondContact O-N 3.24Å; I130-L235 HydrophobicContact CD1-CB 4.18Å; I130-L235 HydrophobicContact CD1-CD1 4.13Å; I130-L235 HydrophobicContact CG2-CB 4.48Å; I130-S239 PolarHBondContact O-OG 3.45Å |
| 131 | S | 86.7 | Confident | 88 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 27% | 0.266 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 176.6 | -175.3 | 0 | 0 | 0 | 0 | 112.3 | L127 T128 W129 G134 K135 | L127-S131 VanDerWaalsContact O-CB 3.3Å; L127-S131 WeakPolarHBondContact O-CB 3.47Å; L127-S131 PolarHBondContact O-N 2.9Å; T128-S131 WeakPolarHBondContact O-CB 3.41Å; T128-S131 PolarHBondContact O-N 3.19Å; W129-S131 VanDerWaalsContact C-N 3.29Å; W129-S131 PolarHBondContact O-N 2.87Å; S131-G134 PolarHBondContact O-N 3.47Å; S131-K135 WeakPolarHBondContact O-CG 3.5Å; S131-K135 PolarHBondContact O-N 2.98Å |
| 132 | E | 89.1 | Confident | 87 | Confident | 129 Ų | 129 | 65.8 Ų | 65.8 | 60% | 0.603 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -67 | -44.2 | 174.9 | -71.6 | -170.2 | 169.1 | 0 | 0 | 112.4 | T128 W129 G134 K135 F136 | T128-E132 WeakPolarHBondContact O-CG 3.36Å; T128-E132 PolarHBondContact O-N 3.18Å; W129-E132 PolarHBondContact O-N 3.42Å; E132-G134 VanDerWaalsContact C-N 3.3Å; E132-G134 PolarHBondContact O-N 2.86Å; E132-K135 PolarHBondContact O-N 3.43Å; E132-F136 WeakPolarHBondContact O-CB 3.11Å; E132-F136 PolarHBondContact O-N 3.48Å |
| 133 | L | 87.1 | Confident | 86.2 | Confident | 44 Ų | 44 | 71.4 Ų | 71.4 | 23% | 0.23 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -58.2 | -44.2 | 172.8 | -74.4 | 178.3 | 0 | 0 | 0 | 111.3 | W129 I130 K135 F136 F137 A236 | W129-L133 HydrophobicContact CD2-CD1 3.89Å; W129-L133 VanDerWaalsContact CE2-CD1 3.47Å; W129-L133 HydrophobicContact CE3-CD1 4.26Å; W129-L133 HydrophobicContact CH2-CD1 3.96Å; W129-L133 HydrophobicContact CZ2-CD1 3.54Å; W129-L133 HydrophobicContact CZ3-CD1 4.29Å; W129-L133 WeakPolarHBondContact O-CG 3.37Å; W129-L133 PolarHBondContact O-N 3.46Å; I130-L133 PolarHBondContact O-N 2.94Å; L133-K135 PolarHBondContact O-N 3.07Å; L133-F136 WeakPolarHBondContact O-CB 3.39Å; L133-F136 PolarHBondContact O-N 3.5Å; L133-F137 WeakPolarHBondContact O-CD2 3.5Å; L133-F137 PolarHBondContact O-N 2.93Å; L133-A236 HydrophobicContact CB-CB 3.79Å; L133-A236 HydrophobicContact CD1-CB 4.42Å |
| 134 | G | 84.3 | Confident | 85.1 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -55.6 | -52 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | I130 S131 E132 F136 F137 G138 S239 L240 | I130-G134 PolarHBondContact O-N 3.24Å; S131-G134 PolarHBondContact O-N 3.47Å; E132-G134 VanDerWaalsContact C-N 3.3Å; E132-G134 PolarHBondContact O-N 2.86Å; G134-F136 VanDerWaalsContact C-N 3.29Å; G134-F136 PolarHBondContact O-N 2.66Å; G134-F137 PolarHBondContact O-N 3.35Å; G134-G138 PolarHBondContact O-N 3.18Å; G134-S239 WeakPolarHBondContact CA-OG 3.35Å; G134-L240 WeakPolarHBondContact O-CD1 3.25Å; G134-L240 WeakPolarHBondContact O-CD2 3.36Å; G134-L240 VanDerWaalsContact O-CG 3.23Å; G134-L240 WeakPolarHBondContact O-CG 3.45Å |
| 135 | K | 83.9 | Confident | 83.9 | Confident | 140 Ų | 140 | 71.9 Ų | 71.9 | 61% | 0.609 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -58.4 | -39.9 | 177.3 | -71 | 169.4 | -170.4 | 168 | 0 | 112.3 | S131 E132 L133 G138 G139 | S131-K135 WeakPolarHBondContact O-CG 3.5Å; S131-K135 PolarHBondContact O-N 2.98Å; E132-K135 PolarHBondContact O-N 3.43Å; L133-K135 PolarHBondContact O-N 3.07Å; K135-G138 PolarHBondContact O-N 3.42Å; K135-G139 PolarHBondContact O-N 2.93Å |
| 136 | F | 85.3 | Confident | 82.9 | Confident | 98 Ų | 98 | 71.7 Ų | 71.7 | 43% | 0.43 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.8 | -52.1 | 176.6 | 175 | -95.8 | 0 | 0 | 0 | 111.6 | E132 L133 G134 G138 G139 R140 | E132-F136 WeakPolarHBondContact O-CB 3.11Å; E132-F136 PolarHBondContact O-N 3.48Å; L133-F136 WeakPolarHBondContact O-CB 3.39Å; L133-F136 PolarHBondContact O-N 3.5Å; G134-F136 VanDerWaalsContact C-N 3.29Å; G134-F136 PolarHBondContact O-N 2.66Å; F136-G138 VanDerWaalsContact C-N 3.31Å; F136-G138 PolarHBondContact O-N 3.02Å; F136-G139 PolarHBondContact O-N 3.28Å; F136-G139 VanDerWaalsContact O-N 3.14Å; F136-R140 HydrophobicContact CE1-CG 4.4Å; F136-R140 VanDerWaalsContact CE2-CZ 3.46Å; F136-R140 VanDerWaalsContact CZ-NH1 3.29Å; F136-R140 WeakPolarHBondContact O-CG 3.3Å; F136-R140 PolarHBondContact O-N 3.28Å |
| 137 | F | 80.6 | Confident | 82 | Confident | 56 Ų | 56 | 78.2 Ų | 78.2 | 25% | 0.246 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.6 | -39.1 | 175.9 | -75 | -64.2 | 0 | 0 | 0 | 112.2 | L133 G134 G139 R140 A141 F166 L233 A236 L240 | L133-F137 WeakPolarHBondContact O-CD2 3.5Å; L133-F137 PolarHBondContact O-N 2.93Å; G134-F137 PolarHBondContact O-N 3.35Å; F137-G139 VanDerWaalsContact C-N 3.33Å; F137-G139 PolarHBondContact O-N 3.31Å; F137-R140 PolarHBondContact O-N 3.5Å; F137-A141 WeakPolarHBondContact O-CB 3.48Å; F137-A141 PolarHBondContact O-N 3.37Å; F137-F166 HydrophobicContact CB-CZ 4.08Å; F137-L233 HydrophobicContact CE2-CD2 4.1Å; F137-L233 HydrophobicContact CZ-CD2 3.62Å; F137-A236 HydrophobicContact CD2-CB 4.09Å; F137-A236 HydrophobicContact CE2-CB 4.02Å; F137-L240 HydrophobicContact CB-CD1 3.64Å |
| 138 | G | 79.7 | Confident | 81.1 | Confident | 15 Ų | 15 | 77 Ų | 77 | 16% | 0.155 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -64.1 | -36.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | G134 K135 F136 K142 | G134-G138 PolarHBondContact O-N 3.18Å; K135-G138 PolarHBondContact O-N 3.42Å; F136-G138 VanDerWaalsContact C-N 3.31Å; F136-G138 PolarHBondContact O-N 3.02Å; G138-K142 WeakPolarHBondContact O-CG 3.18Å; G138-K142 PolarHBondContact O-N 2.88Å |
| 139 | G | 80.7 | Confident | 80.1 | Confident | 38 Ų | 38 | 74 Ų | 74 | 39% | 0.392 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | K135 F136 F137 K142 H143 | K135-G139 PolarHBondContact O-N 2.93Å; F136-G139 PolarHBondContact O-N 3.28Å; F136-G139 VanDerWaalsContact O-N 3.14Å; F137-G139 VanDerWaalsContact C-N 3.33Å; F137-G139 PolarHBondContact O-N 3.31Å; G139-K142 WeakPolarHBondContact O-CB 3.37Å; G139-K142 PolarHBondContact O-N 2.83Å; G139-H143 PolarHBondContact O-N 2.96Å |
| 140 | R | 80.2 | Confident | 79.1 | Confident | 154 Ų | 154 | 78 Ų | 78 | 58% | 0.581 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -65.5 | -41.4 | 176.1 | -62.1 | -64.5 | 165.2 | 92.2 | -6.6 | 112.2 | F136 F137 K142 H143 L144 | F136-R140 HydrophobicContact CE1-CG 4.4Å; F136-R140 VanDerWaalsContact CE2-CZ 3.46Å; F136-R140 VanDerWaalsContact CZ-NH1 3.29Å; F136-R140 WeakPolarHBondContact O-CG 3.3Å; F136-R140 PolarHBondContact O-N 3.28Å; F137-R140 PolarHBondContact O-N 3.5Å; R140-K142 VanDerWaalsContact C-N 3.31Å; R140-K142 PolarHBondContact O-N 2.99Å; R140-H143 PolarHBondContact O-N 2.81Å; R140-L144 PolarHBondContact O-N 2.88Å |
| 141 | A | 75.6 | Confident | 78.3 | Confident | 12 Ų | 12 | 85.8 Ų | 85.8 | 10% | 0.099 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -61.4 | -38.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F137 G145 F166 | F137-A141 WeakPolarHBondContact O-CB 3.48Å; F137-A141 PolarHBondContact O-N 3.37Å; A141-G145 PolarHBondContact O-N 3.5Å; A141-F166 HydrophobicContact CB-CB 4.36Å; A141-F166 HydrophobicContact CB-CD2 4.01Å; A141-F166 HydrophobicContact CB-CE2 4.48Å; A141-F166 HydrophobicContact CB-CG 4.03Å |
| 142 | K | 76.1 | Confident | 77.4 | Confident | 116 Ų | 116 | 87.4 Ų | 87.4 | 50% | 0.504 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -66.2 | -42.4 | 173.7 | -76.1 | 174.9 | -176.5 | 176.5 | 0 | 112.3 | G138 G139 R140 L144 G145 Q146 | G138-K142 WeakPolarHBondContact O-CG 3.18Å; G138-K142 PolarHBondContact O-N 2.88Å; G139-K142 WeakPolarHBondContact O-CB 3.37Å; G139-K142 PolarHBondContact O-N 2.83Å; R140-K142 VanDerWaalsContact C-N 3.31Å; R140-K142 PolarHBondContact O-N 2.99Å; K142-L144 VanDerWaalsContact C-N 3.34Å; K142-G145 CarbonylContact O-C 3.5Å; K142-G145 WeakPolarHBondContact O-CA 3.39Å; K142-G145 PolarHBondContact O-N 3.45Å; K142-G145 VanDerWaalsContact O-N 3.15Å; K142-Q146 WeakPolarHBondContact O-CG 3.15Å; K142-Q146 PolarHBondContact O-N 2.83Å |
| 143 | H | 78.3 | Confident | 76.2 | Confident | 130 Ų | 130 | 88.1 Ų | 88.1 | 60% | 0.602 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62.8 | -42.8 | 178 | -167.8 | -97.2 | 0 | 0 | 0 | 111.3 | G139 R140 G145 Q146 F147 | G139-H143 PolarHBondContact O-N 2.96Å; R140-H143 PolarHBondContact O-N 2.81Å; H143-G145 VanDerWaalsContact C-N 3.31Å; H143-G145 PolarHBondContact O-N 3.26Å; H143-Q146 PolarHBondContact O-N 3.49Å; H143-F147 PolarHBondContact O-N 3.12Å |
| 144 | L | 72.4 | Confident | 75.5 | Confident | 109 Ų | 109 | 89.6 Ų | 89.6 | 57% | 0.571 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -61.8 | -40 | 172.4 | -172.6 | 63.4 | 0 | 0 | 0 | 111.7 | R140 K142 F147 L148 | R140-L144 PolarHBondContact O-N 2.88Å; K142-L144 VanDerWaalsContact C-N 3.34Å; L144-F147 WeakPolarHBondContact O-CB 3.43Å; L144-F147 PolarHBondContact O-N 3.49Å; L144-L148 HydrophobicContact CG-CD1 4.5Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3Å |
| 145 | G | 71.8 | Confident | 74.7 | Confident | 4 Ų | 4 | 95.8 Ų | 95.8 | 4% | 0.041 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -65.8 | -36.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A141 K142 H143 L148 T149 C162 | A141-G145 PolarHBondContact O-N 3.5Å; K142-G145 CarbonylContact O-C 3.5Å; K142-G145 WeakPolarHBondContact O-CA 3.39Å; K142-G145 PolarHBondContact O-N 3.45Å; K142-G145 VanDerWaalsContact O-N 3.15Å; H143-G145 VanDerWaalsContact C-N 3.31Å; H143-G145 PolarHBondContact O-N 3.26Å; G145-L148 PolarHBondContact O-N 3.31Å; G145-T149 WeakPolarHBondContact O-CB 3.37Å; G145-T149 PolarHBondContact O-N 3.49Å; G145-T149 PolarHBondContact O-OG1 2.93Å; G145-C162 WeakPolarHBondContact CA-SG 3.3Å |
| 146 | Q | 73.2 | Confident | 74 | Confident | 115 Ų | 115 | 99.7 Ų | 99.7 | 54% | 0.537 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 173.6 | -73.4 | 174.7 | -7.4 | 0 | 0 | 111.4 | K142 H143 T149 K150 | K142-Q146 WeakPolarHBondContact O-CG 3.15Å; K142-Q146 PolarHBondContact O-N 2.83Å; H143-Q146 PolarHBondContact O-N 3.49Å; Q146-T149 WeakPolarHBondContact O-CB 3.39Å; Q146-T149 PolarHBondContact O-N 3.06Å; Q146-K150 PolarHBondContact O-N 2.91Å |
| 147 | F | 74.2 | Confident | 73.4 | Confident | 140 Ų | 140 | 102.6 Ų | 102.6 | 61% | 0.614 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60.2 | -44.3 | 172.5 | -175.4 | -96.3 | 0 | 0 | 0 | 111.9 | H143 L144 T149 K150 | H143-F147 PolarHBondContact O-N 3.12Å; L144-F147 WeakPolarHBondContact O-CB 3.43Å; L144-F147 PolarHBondContact O-N 3.49Å; F147-T149 VanDerWaalsContact C-N 3.31Å; F147-T149 PolarHBondContact O-N 2.86Å; F147-K150 PolarHBondContact O-N 3.31Å |
| 148 | L | 70.8 | Confident | 73 | Confident | 72 Ų | 72 | 100.2 Ų | 100.2 | 38% | 0.377 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.9 | -30.3 | 175.2 | -69.9 | 168.2 | 0 | 0 | 0 | 112.9 | L144 G145 K151 | L144-L148 HydrophobicContact CG-CD1 4.5Å; L144-L148 WeakPolarHBondContact O-CG 3.46Å; L144-L148 PolarHBondContact O-N 3Å; G145-L148 PolarHBondContact O-N 3.31Å; L148-K151 WeakPolarHBondContact O-CB 3.32Å; L148-K151 PolarHBondContact O-N 3.36Å |
| 149 | T | 71.4 | Confident | 72.7 | Confident | 22 Ų | 22 | 104.4 Ų | 104.4 | 14% | 0.135 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -68.7 | -36.3 | 176.3 | -54.7 | 0 | 0 | 0 | 0 | 111.5 | G145 Q146 F147 K151 G152 F153 L155 A158 | G145-T149 WeakPolarHBondContact O-CB 3.37Å; G145-T149 PolarHBondContact O-N 3.49Å; G145-T149 PolarHBondContact O-OG1 2.93Å; Q146-T149 WeakPolarHBondContact O-CB 3.39Å; Q146-T149 PolarHBondContact O-N 3.06Å; F147-T149 VanDerWaalsContact C-N 3.31Å; F147-T149 PolarHBondContact O-N 2.86Å; T149-K151 PolarHBondContact O-N 3.48Å; T149-G152 PolarHBondContact O-N 2.82Å; T149-F153 VanDerWaalsContact CG2-O 3.25Å; T149-F153 WeakPolarHBondContact CG2-O 3.1Å; T149-L155 HydrophobicContact CG2-CB 4.42Å; T149-L155 HydrophobicContact CG2-CD2 3.76Å; T149-L155 HydrophobicContact CG2-CG 3.74Å; T149-A158 HydrophobicContact CG2-CB 4.44Å; T149-A158 VanDerWaalsContact OG1-CB 3.31Å; T149-A158 WeakPolarHBondContact OG1-CB 3.36Å |
| 150 | K | 70.2 | Confident | 72.5 | Confident | 191 Ų | 191 | 107.5 Ų | 107.5 | 83% | 0.83 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -19.1 | 172.3 | -71.5 | -176.1 | 177.7 | -174.9 | 0 | 112.9 | Q146 F147 | Q146-K150 PolarHBondContact O-N 2.91Å; F147-K150 PolarHBondContact O-N 3.31Å |
| 151 | K | 72.6 | Confident | 72.5 | Confident | 178 Ų | 178 | 103.7 Ų | 103.7 | 77% | 0.774 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.3 | 9.8 | 177.2 | -145.9 | 171.4 | -179.1 | 176.9 | 0 | 114.2 | L148 T149 | L148-K151 WeakPolarHBondContact O-CB 3.32Å; L148-K151 PolarHBondContact O-N 3.36Å; T149-K151 PolarHBondContact O-N 3.48Å |
| 152 | G | 68.4 | Low | 72.6 | Confident | 72 Ų | 72 | 104 Ų | 104 | 74% | 0.742 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 114.7 | 9.8 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | T149 | T149-G152 PolarHBondContact O-N 2.82Š|
| 153 | F | 64.2 | Low | 72.8 | Confident | 145 Ų | 145 | 100.1 Ų | 100.1 | 64% | 0.636 | 49% | 0.493 | S | S | * | . | trans | -90.3 | 149.3 | 178.1 | -71.9 | -89.5 | 0 | 0 | 0 | 112.8 | T149 L155 A158 | T149-F153 VanDerWaalsContact CG2-O 3.25Å; T149-F153 WeakPolarHBondContact CG2-O 3.1Å; F153-L155 PolarHBondContact O-N 2.87Å; F153-A158 HydrophobicContact CB-CB 3.84Å | ||
| 154 | S | 72.4 | Confident | 73 | Confident | 75 Ų | 75 | 95.3 Ų | 95.3 | 52% | 0.524 | 48% | 0.476 | S | S | . | . | trans | -63.9 | 121.9 | 172.4 | 177.7 | 0 | 0 | 0 | 0 | 111.1 | R156 K157 A158 | S154-R156 VanDerWaalsContact C-N 3.27Å; S154-R156 PolarHBondContact O-N 3.45Å; S154-K157 PolarHBondContact O-N 3.23Å; S154-A158 WeakPolarHBondContact O-CB 3.39Å; S154-A158 PolarHBondContact O-N 3.27Å | ||
| 155 | L | 66.9 | Low | 73.6 | Confident | 129 Ų | 129 | 94.9 Ų | 94.9 | 68% | 0.675 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -39.5 | -48.3 | -177 | -83.6 | 152.8 | 0 | 0 | 0 | 114.7 | T149 F153 Q159 | T149-L155 HydrophobicContact CG2-CB 4.42Å; T149-L155 HydrophobicContact CG2-CD2 3.76Å; T149-L155 HydrophobicContact CG2-CG 3.74Å; F153-L155 PolarHBondContact O-N 2.87Å; L155-Q159 WeakPolarHBondContact O-CB 3.2Å; L155-Q159 PolarHBondContact O-N 2.73Å |
| 156 | R | 69.4 | Low | 74.2 | Confident | 222 Ų | 222 | 96.8 Ų | 96.8 | 84% | 0.838 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -72.2 | -38.6 | -175.1 | -121.9 | -174.2 | -76.2 | 173 | -4.4 | 113 | S154 | S154-R156 VanDerWaalsContact C-N 3.27Å; S154-R156 PolarHBondContact O-N 3.45Å |
| 157 | K | 72.2 | Confident | 74.8 | Confident | 160 Ų | 160 | 92.2 Ų | 92.2 | 70% | 0.696 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -76.1 | -41 | 177.2 | -67 | -176.7 | 179.8 | 178.8 | 0 | 110.4 | S154 Q159 F160 T161 | S154-K157 PolarHBondContact O-N 3.23Å; K157-Q159 PolarHBondContact O-N 2.91Å; K157-F160 PolarHBondContact O-N 2.83Å; K157-T161 WeakPolarHBondContact O-CB 3.47Å; K157-T161 PolarHBondContact O-N 3.3Å; K157-T161 PolarHBondContact O-OG1 2.93Å |
| 158 | A | 71.5 | Confident | 75.5 | Confident | 6 Ų | 6 | 91.4 Ų | 91.4 | 5% | 0.05 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | T149 F153 S154 F160 T161 C162 | T149-A158 HydrophobicContact CG2-CB 4.44Å; T149-A158 VanDerWaalsContact OG1-CB 3.31Å; T149-A158 WeakPolarHBondContact OG1-CB 3.36Å; F153-A158 HydrophobicContact CB-CB 3.84Å; S154-A158 WeakPolarHBondContact O-CB 3.39Å; S154-A158 PolarHBondContact O-N 3.27Å; A158-F160 PolarHBondContact O-N 2.73Å; A158-T161 PolarHBondContact O-N 3.28Å; A158-C162 WeakPolarHBondContact O-CB 3.44Å; A158-C162 PolarHBondContact O-N 3.45Å; A158-C162 PolarHBondContact O-SG 3.14Å |
| 159 | Q | 73.8 | Confident | 76.4 | Confident | 102 Ų | 102 | 94.4 Ų | 94.4 | 48% | 0.477 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 178.4 | -174 | 178.4 | -18 | 0 | 0 | 112.2 | L155 K157 C162 T163 | L155-Q159 WeakPolarHBondContact O-CB 3.2Å; L155-Q159 PolarHBondContact O-N 2.73Å; K157-Q159 PolarHBondContact O-N 2.91Å; Q159-C162 PolarHBondContact O-N 3.45Å; Q159-T163 WeakPolarHBondContact O-CG2 3.17Å; Q159-T163 PolarHBondContact O-N 3Å; Q159-T163 PolarHBondContact O-OG1 3.35Å |
| 160 | F | 77.1 | Confident | 77.3 | Confident | 104 Ų | 104 | 93.3 Ų | 93.3 | 46% | 0.456 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.1 | -46.6 | 177.7 | -172.3 | -92.8 | 0 | 0 | 0 | 111.6 | K157 A158 C162 T163 A164 W244 | K157-F160 PolarHBondContact O-N 2.83Å; A158-F160 PolarHBondContact O-N 2.73Å; F160-C162 VanDerWaalsContact C-N 3.34Å; F160-C162 PolarHBondContact O-N 3.19Å; F160-T163 WeakPolarHBondContact CA-OG1 3.3Å; F160-T163 PolarHBondContact O-N 3.25Å; F160-T163 PolarHBondContact O-OG1 2.85Å; F160-A164 WeakPolarHBondContact O-CB 3.17Å; F160-A164 PolarHBondContact O-N 3.21Å; F160-W244 AromaticContact CE2-CZ2 3.83Å; F160-W244 HydrophobicContact CE2-CZ2 3.83Å; F160-W244 AromaticContact CZ-CZ2 3.9Å; F160-W244 HydrophobicContact CZ-CZ2 3.9Å |
| 161 | T | 79.8 | Confident | 78.4 | Confident | 73 Ų | 73 | 87 Ų | 87 | 45% | 0.448 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 177.5 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | K157 A158 A164 I165 | K157-T161 WeakPolarHBondContact O-CB 3.47Å; K157-T161 PolarHBondContact O-N 3.3Å; K157-T161 PolarHBondContact O-OG1 2.93Å; A158-T161 PolarHBondContact O-N 3.28Å; T161-A164 PolarHBondContact O-N 2.63Å; T161-I165 HydrophobicContact CG2-CD1 3.88Å; T161-I165 HydrophobicContact CG2-CG1 4.45Å; T161-I165 VanDerWaalsContact O-CG1 3.26Å; T161-I165 WeakPolarHBondContact O-CG1 3.31Å; T161-I165 PolarHBondContact O-N 3.22Å |
| 162 | C | 78.7 | Confident | 79.4 | Confident | 18 Ų | 18 | 82.3 Ų | 82.3 | 12% | 0.122 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -66.2 | -40.3 | 177.5 | -66.2 | 0 | 0 | 0 | 0 | 112.2 | G145 A158 Q159 F160 A164 I165 F166 | G145-C162 WeakPolarHBondContact CA-SG 3.3Å; A158-C162 WeakPolarHBondContact O-CB 3.44Å; A158-C162 PolarHBondContact O-N 3.45Å; A158-C162 PolarHBondContact O-SG 3.14Å; Q159-C162 PolarHBondContact O-N 3.45Å; F160-C162 VanDerWaalsContact C-N 3.34Å; F160-C162 PolarHBondContact O-N 3.19Å; C162-A164 VanDerWaalsContact C-N 3.33Å; C162-A164 PolarHBondContact O-N 3.32Å; C162-I165 PolarHBondContact O-N 3.33Å; C162-F166 WeakPolarHBondContact O-CB 3.14Å; C162-F166 PolarHBondContact O-N 3.48Å |
| 163 | T | 78.8 | Confident | 80.6 | Confident | 35 Ų | 35 | 80.7 Ų | 80.7 | 22% | 0.215 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -63.9 | -39 | 173.8 | 52.3 | 0 | 0 | 0 | 0 | 112.1 | Q159 F160 F166 L167 | Q159-T163 WeakPolarHBondContact O-CG2 3.17Å; Q159-T163 PolarHBondContact O-N 3Å; Q159-T163 PolarHBondContact O-OG1 3.35Å; F160-T163 WeakPolarHBondContact CA-OG1 3.3Å; F160-T163 PolarHBondContact O-N 3.25Å; F160-T163 PolarHBondContact O-OG1 2.85Å; T163-F166 PolarHBondContact O-N 2.88Å; T163-L167 WeakPolarHBondContact O-CG 3.39Å; T163-L167 PolarHBondContact O-N 3.33Å |
| 164 | A | 82.9 | Confident | 82 | Confident | 30 Ų | 30 | 74.2 Ų | 74.2 | 25% | 0.248 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | F160 T161 C162 F166 L167 L168 | F160-A164 WeakPolarHBondContact O-CB 3.17Å; F160-A164 PolarHBondContact O-N 3.21Å; T161-A164 PolarHBondContact O-N 2.63Å; C162-A164 VanDerWaalsContact C-N 3.33Å; C162-A164 PolarHBondContact O-N 3.32Å; A164-F166 VanDerWaalsContact C-N 3.33Å; A164-F166 PolarHBondContact O-N 3.27Å; A164-L167 PolarHBondContact O-N 2.68Å; A164-L168 WeakPolarHBondContact O-CG 3.35Å; A164-L168 PolarHBondContact O-N 3.42Å |
| 165 | I | 86 | Confident | 83.1 | Confident | 100 Ų | 100 | 72.4 Ų | 72.4 | 51% | 0.513 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -59.8 | -44.1 | 174.8 | -70.1 | 166.4 | 0 | 0 | 0 | 110.6 | T161 C162 L167 L168 W169 | T161-I165 HydrophobicContact CG2-CD1 3.88Å; T161-I165 HydrophobicContact CG2-CG1 4.45Å; T161-I165 VanDerWaalsContact O-CG1 3.26Å; T161-I165 WeakPolarHBondContact O-CG1 3.31Å; T161-I165 PolarHBondContact O-N 3.22Å; C162-I165 PolarHBondContact O-N 3.33Å; I165-L167 PolarHBondContact O-N 3.44Å; I165-L168 PolarHBondContact O-N 2.82Å; I165-W169 WeakPolarHBondContact O-CB 3.26Å; I165-W169 PolarHBondContact O-N 2.97Å |
| 166 | F | 84.4 | Confident | 84.4 | Confident | 44 Ų | 44 | 68.7 Ų | 68.7 | 19% | 0.193 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.3 | -40 | 178.4 | -174.9 | -95.3 | 0 | 0 | 0 | 112.4 | F137 A141 C162 T163 A164 W169 G170 W237 L240 | F137-F166 HydrophobicContact CB-CZ 4.08Å; A141-F166 HydrophobicContact CB-CB 4.36Å; A141-F166 HydrophobicContact CB-CD2 4.01Å; A141-F166 HydrophobicContact CB-CE2 4.48Å; A141-F166 HydrophobicContact CB-CG 4.03Å; C162-F166 WeakPolarHBondContact O-CB 3.14Å; C162-F166 PolarHBondContact O-N 3.48Å; T163-F166 PolarHBondContact O-N 2.88Å; A164-F166 VanDerWaalsContact C-N 3.33Å; A164-F166 PolarHBondContact O-N 3.27Å; F166-W169 HydrophobicContact CE2-CE3 4.32Å; F166-W169 HydrophobicContact CE2-CZ3 4.38Å; F166-W169 PolarHBondContact O-N 3.37Å; F166-G170 PolarHBondContact O-N 3.13Å; F166-W237 AromaticContact CE1-CD1 3.89Å; F166-L240 HydrophobicContact CD1-CD1 4.44Å; F166-L240 HydrophobicContact CE1-CD1 3.59Å; F166-L240 HydrophobicContact CZ-CD1 4.28Å |
| 167 | L | 85.4 | Confident | 85.6 | Confident | 19 Ų | 19 | 62.2 Ų | 62.2 | 10% | 0.099 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 174 | -71 | 176.8 | 0 | 0 | 0 | 111.7 | T163 A164 I165 W169 G170 V171 W237 F241 W244 | T163-L167 WeakPolarHBondContact O-CG 3.39Å; T163-L167 PolarHBondContact O-N 3.33Å; A164-L167 PolarHBondContact O-N 2.68Å; I165-L167 PolarHBondContact O-N 3.44Å; L167-W169 VanDerWaalsContact C-N 3.35Å; L167-W169 PolarHBondContact O-N 3.11Å; L167-G170 PolarHBondContact O-N 3.39Å; L167-V171 WeakPolarHBondContact O-CG2 3.14Å; L167-V171 PolarHBondContact O-N 3.34Å; L167-W237 HydrophobicContact CD2-CZ2 4.4Å; L167-W237 WeakPolarHBondContact O-CZ2 3.37Å; L167-F241 HydrophobicContact CD1-CD2 4.31Å; L167-F241 HydrophobicContact CD2-CB 3.95Å; L167-F241 HydrophobicContact CD2-CD2 4.12Å; L167-W244 HydrophobicContact CD1-CB 4.43Å; L167-W244 HydrophobicContact CD1-CD2 3.57Å; L167-W244 HydrophobicContact CD1-CE3 3.51Å; L167-W244 HydrophobicContact CD1-CG 3.99Å; L167-W244 HydrophobicContact CD1-CH2 4.38Å; L167-W244 HydrophobicContact CD1-CZ2 4.44Å; L167-W244 HydrophobicContact CD1-CZ3 3.94Å |
| 168 | L | 89.3 | Confident | 86.8 | Confident | 122 Ų | 122 | 55 Ų | 55 | 64% | 0.639 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.5 | -41.4 | 176.2 | -72.4 | 170.9 | 0 | 0 | 0 | 112.2 | A164 I165 G170 V171 L172 | A164-L168 WeakPolarHBondContact O-CG 3.35Å; A164-L168 PolarHBondContact O-N 3.42Å; I165-L168 PolarHBondContact O-N 2.82Å; L168-G170 VanDerWaalsContact C-N 3.33Å; L168-G170 PolarHBondContact O-N 3.4Å; L168-V171 PolarHBondContact O-N 3.48Å; L168-L172 PolarHBondContact O-N 2.95Å |
| 169 | W | 89.7 | Confident | 87.9 | Confident | 135 Ų | 135 | 54.8 Ų | 54.8 | 51% | 0.511 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62 | -41.5 | 174.8 | 178.6 | 80.9 | 0 | 0 | 0 | 111.6 | I165 F166 L167 L172 V173 | I165-W169 WeakPolarHBondContact O-CB 3.26Å; I165-W169 PolarHBondContact O-N 2.97Å; F166-W169 HydrophobicContact CE2-CE3 4.32Å; F166-W169 HydrophobicContact CE2-CZ3 4.38Å; F166-W169 PolarHBondContact O-N 3.37Å; L167-W169 VanDerWaalsContact C-N 3.35Å; L167-W169 PolarHBondContact O-N 3.11Å; W169-L172 WeakPolarHBondContact O-CB 3.48Å; W169-L172 PolarHBondContact O-N 3.27Å; W169-V173 HydrophobicContact CD2-CG2 4.03Å; W169-V173 HydrophobicContact CH2-CG2 4.22Å; W169-V173 HydrophobicContact CZ2-CG2 3.69Å; W169-V173 WeakPolarHBondContact O-CG2 3.23Å; W169-V173 PolarHBondContact O-N 2.65Å |
| 170 | G | 90.5 | Very high | 89 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.5 | -35.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F166 L167 L168 L172 V173 H174 | F166-G170 PolarHBondContact O-N 3.13Å; L167-G170 PolarHBondContact O-N 3.39Å; L168-G170 VanDerWaalsContact C-N 3.33Å; L168-G170 PolarHBondContact O-N 3.4Å; G170-L172 VanDerWaalsContact C-N 3.32Å; G170-L172 PolarHBondContact O-N 2.97Å; G170-V173 PolarHBondContact O-N 3.24Å; G170-H174 VanDerWaalsContact O-CB 3.31Å; G170-H174 WeakPolarHBondContact O-CB 3.43Å; G170-H174 PolarHBondContact O-N 2.84Å; G170-H174 PolarHBondContact O-ND1 3.45Å |
| 171 | V | 92.5 | Very high | 89.8 | Confident | 57 Ų | 57 | 53.9 Ų | 53.9 | 35% | 0.345 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 169.9 | 172.2 | 0 | 0 | 0 | 0 | 110.6 | L167 L168 L175 V176 W237 | L167-V171 WeakPolarHBondContact O-CG2 3.14Å; L167-V171 PolarHBondContact O-N 3.34Å; L168-V171 PolarHBondContact O-N 3.48Å; V171-L175 HydrophobicContact CG1-CD1 4.43Å; V171-L175 WeakPolarHBondContact O-CA 3.27Å; V171-L175 WeakPolarHBondContact O-CB 3.18Å; V171-L175 PolarHBondContact O-N 3.14Å; V171-V176 HydrophobicContact CG1-CG2 4.5Å; V171-V176 PolarHBondContact O-N 3.04Å; V171-W237 HydrophobicContact CG2-CH2 3.72Å; V171-W237 HydrophobicContact CG2-CZ2 3.73Å |
| 172 | L | 94 | Very high | 90.5 | Very high | 80 Ų | 80 | 50.7 Ų | 50.7 | 42% | 0.419 | 27% | 0.265 | S | S | . | . | I | π-helix | trans | -60 | -50.8 | 177.3 | -179.5 | 69.6 | 0 | 0 | 0 | 111.3 | L168 W169 G170 V176 L177 | L168-L172 PolarHBondContact O-N 2.95Å; W169-L172 WeakPolarHBondContact O-CB 3.48Å; W169-L172 PolarHBondContact O-N 3.27Å; G170-L172 VanDerWaalsContact C-N 3.32Å; G170-L172 PolarHBondContact O-N 2.97Å; L172-V176 HydrophobicContact CD1-CB 4.07Å; L172-V176 HydrophobicContact CD1-CG1 4.07Å; L172-V176 PolarHBondContact O-N 3.03Å; L172-L177 HydrophobicContact CD1-CG 4.32Å; L172-L177 HydrophobicContact CG-CD1 4.23Å; L172-L177 HydrophobicContact CG-CG 4.24Å; L172-L177 WeakPolarHBondContact O-CG 3.08Å; L172-L177 PolarHBondContact O-N 3.39Å |
| 173 | V | 93.4 | Very high | 91.2 | Very high | 39 Ų | 39 | 53.7 Ų | 53.7 | 24% | 0.236 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -72.8 | -32.9 | -174.8 | 172.7 | 0 | 0 | 0 | 0 | 113.4 | W169 G170 P178 | W169-V173 HydrophobicContact CD2-CG2 4.03Å; W169-V173 HydrophobicContact CH2-CG2 4.22Å; W169-V173 HydrophobicContact CZ2-CG2 3.69Å; W169-V173 WeakPolarHBondContact O-CG2 3.23Å; W169-V173 PolarHBondContact O-N 2.65Å; G170-V173 PolarHBondContact O-N 3.24Å; V173-P178 WeakPolarHBondContact O-CD 3.36Å; V173-P178 WeakPolarHBondContact O-CG 2.96Å |
| 174 | H | 93.6 | Very high | 91.8 | Very high | 8 Ų | 8 | 55.9 Ų | 55.9 | 4% | 0.037 | 30% | 0.295 | C | S | . | . | I | π-helix | trans | -104.2 | -19.1 | -173.4 | -58.9 | 95.5 | 0 | 0 | 0 | 114.4 | G170 L201 W230 G234 | G170-H174 VanDerWaalsContact O-CB 3.31Å; G170-H174 WeakPolarHBondContact O-CB 3.43Å; G170-H174 PolarHBondContact O-N 2.84Å; G170-H174 PolarHBondContact O-ND1 3.45Å; H174-L201 HydrophobicContact CB-CD1 3.65Å; H174-L201 VanDerWaalsContact O-CD1 3.31Å; H174-L201 WeakPolarHBondContact O-CD1 3.36Å; H174-W230 AromaticContact CD2-CD1 3.85Å; H174-W230 AromaticContact CD2-NE1 3.73Å; H174-G234 WeakPolarHBondContact CD2-CA 3.43Å; H174-G234 PolarHBondContact CD2-N 3.08Å; H174-G234 WeakPolarHBondContact NE2-CA 3.43Å; H174-G234 PolarHBondContact NE2-N 3.49Å |
| 175 | L | 94.5 | Very high | 92.2 | Very high | 38 Ų | 38 | 58 Ų | 58 | 20% | 0.199 | 30% | 0.3 | C | S | . | . | I | π-helix | trans | -118.9 | -36.6 | 178.8 | -66.8 | 176.1 | 0 | 0 | 0 | 113.9 | V171 P179 L194 F198 L201 | V171-L175 HydrophobicContact CG1-CD1 4.43Å; V171-L175 WeakPolarHBondContact O-CA 3.27Å; V171-L175 WeakPolarHBondContact O-CB 3.18Å; V171-L175 PolarHBondContact O-N 3.14Å; L175-P179 WeakPolarHBondContact O-CD 3.37Å; L175-P179 WeakPolarHBondContact O-CG 3.25Å; L175-L194 HydrophobicContact CB-CD1 4.29Å; L175-L194 WeakPolarHBondContact O-CD1 3.2Å; L175-F198 HydrophobicContact CD2-CB 4.3Å; L175-L201 HydrophobicContact CD2-CD1 4.03Å |
| 176 | V | 95.2 | Very high | 92.4 | Very high | 51 Ų | 51 | 53.5 Ų | 53.5 | 31% | 0.309 | 28% | 0.277 | S | S | . | . | I | π-helix | trans | -92.7 | -41.3 | -172.3 | -179.9 | 0 | 0 | 0 | 0 | 112.7 | V171 L172 F180 | V171-V176 HydrophobicContact CG1-CG2 4.5Å; V171-V176 PolarHBondContact O-N 3.04Å; L172-V176 HydrophobicContact CD1-CB 4.07Å; L172-V176 HydrophobicContact CD1-CG1 4.07Å; L172-V176 PolarHBondContact O-N 3.03Å; V176-F180 VanDerWaalsContact O-CD2 3.3Å; V176-F180 WeakPolarHBondContact O-CD2 3.26Å; V176-F180 WeakPolarHBondContact O-CE2 3.42Å |
| 177 | L | 95.4 | Very high | 92.7 | Very high | 85 Ų | 85 | 54.1 Ų | 54.1 | 45% | 0.445 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -77.4 | -42.2 | -179.6 | -67.5 | 178.4 | 0 | 0 | 0 | 114.7 | L172 P179 F180 | L172-L177 HydrophobicContact CD1-CG 4.32Å; L172-L177 HydrophobicContact CG-CD1 4.23Å; L172-L177 HydrophobicContact CG-CG 4.24Å; L172-L177 WeakPolarHBondContact O-CG 3.08Å; L172-L177 PolarHBondContact O-N 3.39Å; L177-P179 VanDerWaalsContact C-CD 3.44Å; L177-F180 PolarHBondContact O-N 2.89Å; L177-F180 VanDerWaalsContact O-N 3.14Å |
| 178 | P | 95.5 | Very high | 93.2 | Very high | 10 Ų | 10 | 55 Ų | 55 | 7% | 0.065 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.3 | -37.6 | -176.4 | -25.6 | 36.8 | 0 | 0 | 0 | 114.9 | V173 F180 V181 F182 W230 | V173-P178 WeakPolarHBondContact O-CD 3.36Å; V173-P178 WeakPolarHBondContact O-CG 2.96Å; P178-F180 PolarHBondContact O-N 2.92Å; P178-V181 WeakPolarHBondContact O-CA 3.34Å; P178-V181 WeakPolarHBondContact O-CB 3.23Å; P178-V181 PolarHBondContact O-N 2.93Å; P178-F182 HydrophobicContact CB-CD2 4.17Å; P178-F182 HydrophobicContact CB-CE2 3.61Å; P178-F182 HydrophobicContact CB-CZ 4.39Å; P178-F182 WeakPolarHBondContact O-CD2 3.43Å; P178-F182 PolarHBondContact O-N 2.81Å; P178-W230 HydrophobicContact CB-CZ2 3.81Å; P178-W230 HydrophobicContact CG-CZ2 3.79Å |
| 179 | P | 96 | Very high | 93.5 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -54.4 | -37.1 | 175.6 | -28.4 | 36 | 0 | 0 | 0 | 113.7 | L175 L177 V181 F182 M183 Y190 L194 | L175-P179 WeakPolarHBondContact O-CD 3.37Å; L175-P179 WeakPolarHBondContact O-CG 3.25Å; L177-P179 VanDerWaalsContact C-CD 3.44Å; P179-V181 VanDerWaalsContact C-N 3.32Å; P179-V181 PolarHBondContact O-N 3.49Å; P179-F182 PolarHBondContact O-N 2.93Å; P179-M183 VanDerWaalsContact O-CG 3.23Å; P179-M183 WeakPolarHBondContact O-CG 3.05Å; P179-M183 PolarHBondContact O-N 3.36Å; P179-Y190 HydrophobicContact CB-CD2 3.65Å; P179-Y190 HydrophobicContact CB-CE2 3.6Å; P179-Y190 HydrophobicContact CB-CG 4.28Å; P179-Y190 HydrophobicContact CG-CE2 4.23Å; P179-L194 HydrophobicContact CG-CB 3.93Å; P179-L194 HydrophobicContact CG-CD1 4.37Å |
| 180 | F | 95.8 | Very high | 93.9 | Very high | 114 Ų | 114 | 50 Ų | 50 | 50% | 0.5 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66 | -35.1 | 175.8 | -64.7 | -72.8 | 0 | 0 | 0 | 112.6 | V176 L177 P178 M183 S184 Y190 | V176-F180 VanDerWaalsContact O-CD2 3.3Å; V176-F180 WeakPolarHBondContact O-CD2 3.26Å; V176-F180 WeakPolarHBondContact O-CE2 3.42Å; L177-F180 PolarHBondContact O-N 2.89Å; L177-F180 VanDerWaalsContact O-N 3.14Å; P178-F180 PolarHBondContact O-N 2.92Å; F180-M183 HydrophobicContact CD1-SD 4.31Å; F180-S184 PolarHBondContact O-N 3.28Å; F180-Y190 HydrophobicContact CD1-CD2 4.21Å; F180-Y190 HydrophobicContact CD1-CE2 4.31Å; F180-Y190 HydrophobicContact CD2-CE2 4.02Å; F180-Y190 AromaticContact CE1-CD2 3.93Å; F180-Y190 HydrophobicContact CE1-CD2 3.93Å; F180-Y190 AromaticContact CE1-CE2 3.89Å; F180-Y190 HydrophobicContact CE1-CE2 3.89Å; F180-Y190 HydrophobicContact CE2-CD2 4.39Å; F180-Y190 AromaticContact CE2-CE2 3.58Å; F180-Y190 HydrophobicContact CE2-CE2 3.58Å; F180-Y190 HydrophobicContact CG-CE2 4.37Å; F180-Y190 HydrophobicContact CZ-CD2 4.03Å; F180-Y190 AromaticContact CZ-CE2 3.51Å; F180-Y190 HydrophobicContact CZ-CE2 3.51Å |
| 181 | V | 93.9 | Very high | 94.1 | Very high | 74 Ų | 74 | 56.1 Ų | 56.1 | 45% | 0.448 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.9 | -47.5 | 174.5 | -178.5 | 0 | 0 | 0 | 0 | 109.6 | P178 P179 M183 S184 Q185 | P178-V181 WeakPolarHBondContact O-CA 3.34Å; P178-V181 WeakPolarHBondContact O-CB 3.23Å; P178-V181 PolarHBondContact O-N 2.93Å; P179-V181 VanDerWaalsContact C-N 3.32Å; P179-V181 PolarHBondContact O-N 3.49Å; V181-M183 VanDerWaalsContact C-N 3.32Å; V181-M183 PolarHBondContact O-N 3.4Å; V181-S184 PolarHBondContact O-N 2.88Å; V181-S184 PolarHBondContact O-OG 2.92Å; V181-Q185 HydrophobicContact CG1-CG 4.21Å; V181-Q185 WeakPolarHBondContact O-CG 3.43Å; V181-Q185 PolarHBondContact O-N 3.25Å |
| 182 | F | 94.3 | Very high | 94.3 | Very high | 6 Ų | 6 | 57.2 Ų | 57.2 | 3% | 0.026 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.3 | -34.8 | 177.8 | -61.2 | -53.5 | 0 | 0 | 0 | 112.7 | P178 P179 S184 Q185 E186 G187 W188 F196 A211 Y223 V227 W230 | P178-F182 HydrophobicContact CB-CD2 4.17Å; P178-F182 HydrophobicContact CB-CE2 3.61Å; P178-F182 HydrophobicContact CB-CZ 4.39Å; P178-F182 WeakPolarHBondContact O-CD2 3.43Å; P178-F182 PolarHBondContact O-N 2.81Å; P179-F182 PolarHBondContact O-N 2.93Å; F182-S184 VanDerWaalsContact C-N 3.27Å; F182-S184 PolarHBondContact O-N 2.89Å; F182-Q185 PolarHBondContact O-N 3.24Å; F182-E186 HydrophobicContact CB-CG 4.43Å; F182-E186 HydrophobicContact CD1-CG 4.06Å; F182-E186 CarbonylContact O-C 3.56Å; F182-E186 VanDerWaalsContact O-CA 3.29Å; F182-E186 WeakPolarHBondContact O-CA 3.36Å; F182-E186 VanDerWaalsContact O-CB 3.25Å; F182-E186 WeakPolarHBondContact O-CB 3.35Å; F182-E186 PolarHBondContact O-N 2.85Å; F182-G187 PolarHBondContact O-N 2.97Å; F182-W188 HydrophobicContact CB-CE3 3.76Å; F182-W188 HydrophobicContact CB-CZ3 4.2Å; F182-W188 HydrophobicContact CD1-CZ3 4.2Å; F182-W188 HydrophobicContact CG-CE3 4.16Å; F182-W188 HydrophobicContact CG-CZ3 4.09Å; F182-F196 HydrophobicContact CD2-CD1 4.08Å; F182-F196 HydrophobicContact CE1-CD1 4.36Å; F182-F196 AromaticContact CE1-CE1 3.95Å; F182-F196 HydrophobicContact CE1-CE1 3.95Å; F182-F196 AromaticContact CE2-CD1 3.65Å; F182-F196 HydrophobicContact CE2-CD1 3.65Å; F182-F196 AromaticContact CE2-CE1 3.82Å; F182-F196 HydrophobicContact CE2-CE1 3.82Å; F182-F196 AromaticContact CZ-CD1 3.84Å; F182-F196 HydrophobicContact CZ-CD1 3.84Å; F182-F196 AromaticContact CZ-CE1 3.5Å; F182-F196 HydrophobicContact CZ-CE1 3.5Å; F182-F196 VanDerWaalsContact CZ-CE1 3.5Å; F182-A211 HydrophobicContact CD1-CB 4.32Å; F182-A211 HydrophobicContact CE1-CB 3.86Å; F182-Y223 WeakPolarHBondContact CD1-OH 3.39Å; F182-Y223 WeakPolarHBondContact CE1-OH 3.34Å; F182-V227 HydrophobicContact CE1-CG2 4.3Å; F182-W230 HydrophobicContact CE2-CH2 4.03Å; F182-W230 HydrophobicContact CE2-CZ2 4.49Å; F182-W230 HydrophobicContact CE2-CZ3 4.34Å; F182-W230 HydrophobicContact CZ-CE3 4.35Å; F182-W230 HydrophobicContact CZ-CH2 4.04Å; F182-W230 AromaticContact CZ-CZ3 3.86Å; F182-W230 HydrophobicContact CZ-CZ3 3.86Å |
| 183 | M | 94.3 | Very high | 94.4 | Very high | 81 Ų | 81 | 53.4 Ų | 53.4 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -58.3 | -40.7 | 171.5 | -72.9 | 176.3 | 72.6 | 0 | 0 | 112.1 | P179 F180 V181 G187 W188 Y190 | P179-M183 VanDerWaalsContact O-CG 3.23Å; P179-M183 WeakPolarHBondContact O-CG 3.05Å; P179-M183 PolarHBondContact O-N 3.36Å; F180-M183 HydrophobicContact CD1-SD 4.31Å; V181-M183 VanDerWaalsContact C-N 3.32Å; V181-M183 PolarHBondContact O-N 3.4Å; M183-G187 WeakPolarHBondContact O-CA 3.47Å; M183-G187 PolarHBondContact O-N 3.28Å; M183-W188 WeakPolarHBondContact CA-O 3.45Å; M183-W188 VanDerWaalsContact CG-O 3.25Å; M183-W188 WeakPolarHBondContact CG-O 3.47Å; M183-Y190 HydrophobicContact SD-CD2 4Å; M183-Y190 HydrophobicContact SD-CG 4.34Å |
| 184 | S | 90.9 | Very high | 94.6 | Very high | 80 Ų | 80 | 54.6 Ų | 54.6 | 56% | 0.559 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -76.5 | -39 | -179.4 | 73.6 | 0 | 0 | 0 | 0 | 113.8 | F180 V181 F182 | F180-S184 PolarHBondContact O-N 3.28Å; V181-S184 PolarHBondContact O-N 2.88Å; V181-S184 PolarHBondContact O-OG 2.92Å; F182-S184 VanDerWaalsContact C-N 3.27Å; F182-S184 PolarHBondContact O-N 2.89Å |
| 185 | Q | 90.8 | Very high | 94.7 | Very high | 76 Ų | 76 | 58.2 Ų | 58.2 | 36% | 0.355 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -93 | -45.5 | -173.5 | -58.8 | -56.7 | -47.4 | 0 | 0 | 112 | V181 F182 Y223 | V181-Q185 HydrophobicContact CG1-CG 4.21Å; V181-Q185 WeakPolarHBondContact O-CG 3.43Å; V181-Q185 PolarHBondContact O-N 3.25Å; F182-Q185 PolarHBondContact O-N 3.24Å; Q185-Y223 HydrophobicContact CB-CE2 4Å; Q185-Y223 HydrophobicContact CG-CD2 4.4Å; Q185-Y223 HydrophobicContact CG-CE2 3.86Å |
| 186 | E | 90.8 | Very high | 94.8 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 2% | 0.023 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | -7.4 | -176.1 | -58.9 | -64.3 | 173 | 0 | 0 | 113.1 | F182 W188 A211 G212 K217 Y219 Y223 | F182-E186 HydrophobicContact CB-CG 4.43Å; F182-E186 HydrophobicContact CD1-CG 4.06Å; F182-E186 CarbonylContact O-C 3.56Å; F182-E186 VanDerWaalsContact O-CA 3.29Å; F182-E186 WeakPolarHBondContact O-CA 3.36Å; F182-E186 VanDerWaalsContact O-CB 3.25Å; F182-E186 WeakPolarHBondContact O-CB 3.35Å; F182-E186 PolarHBondContact O-N 2.85Å; E186-W188 HydrophobicContact CB-CB 4.49Å; E186-W188 HydrophobicContact CB-CD2 3.49Å; E186-W188 VanDerWaalsContact CB-CD2 3.49Å; E186-W188 HydrophobicContact CB-CE3 4Å; E186-W188 HydrophobicContact CB-CG 3.71Å; E186-W188 HydrophobicContact CB-CH2 4.45Å; E186-W188 HydrophobicContact CB-CZ2 4.02Å; E186-W188 HydrophobicContact CB-CZ3 4.44Å; E186-W188 HydrophobicContact CG-CD2 4.12Å; E186-W188 HydrophobicContact CG-CE3 4.21Å; E186-W188 HydrophobicContact CG-CH2 4.06Å; E186-W188 HydrophobicContact CG-CZ2 3.97Å; E186-W188 HydrophobicContact CG-CZ3 4.18Å; E186-W188 PolarHBondContact O-N 3.36Å; E186-W188 VanDerWaalsContact O-N 3.12Å; E186-A211 VanDerWaalsContact OE1-CA 3.23Å; E186-A211 WeakPolarHBondContact OE1-CA 3.34Å; E186-G212 PolarHBondContact OE1-N 3.32Å; E186-K217 PolarHBondContact O-NZ 3.23Å; E186-Y219 WeakPolarHBondContact OE1-CE1 3.33Å; E186-Y219 WeakPolarHBondContact OE2-CE1 3.33Å; E186-Y219 PolarHBondContact OE2-OH 3.02Å; E186-Y223 VanDerWaalsContact OE1-CE1 3.29Å; E186-Y223 WeakPolarHBondContact OE1-CE1 3.34Å; E186-Y223 PolarHBondContact OE1-OH 3.08Å |
| 187 | G | 91.6 | Very high | 94.9 | Very high | 56 Ų | 56 | 54.1 Ų | 54.1 | 58% | 0.577 | 29% | 0.287 | S | S | * | . | trans | 61.8 | 16 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | F182 M183 | F182-G187 PolarHBondContact O-N 2.97Å; M183-G187 WeakPolarHBondContact O-CA 3.47Å; M183-G187 PolarHBondContact O-N 3.28Å | ||
| 188 | W | 95 | Very high | 94.9 | Very high | 39 Ų | 39 | 55.3 Ų | 55.3 | 15% | 0.148 | 29% | 0.288 | C | S | . | . | trans | -71.9 | 159.4 | 175.8 | -63.4 | -17.6 | 0 | 0 | 0 | 110.7 | F182 M183 E186 E192 F196 L209 A211 | F182-W188 HydrophobicContact CB-CE3 3.76Å; F182-W188 HydrophobicContact CB-CZ3 4.2Å; F182-W188 HydrophobicContact CD1-CZ3 4.2Å; F182-W188 HydrophobicContact CG-CE3 4.16Å; F182-W188 HydrophobicContact CG-CZ3 4.09Å; M183-W188 WeakPolarHBondContact CA-O 3.45Å; M183-W188 VanDerWaalsContact CG-O 3.25Å; M183-W188 WeakPolarHBondContact CG-O 3.47Å; E186-W188 HydrophobicContact CB-CB 4.49Å; E186-W188 HydrophobicContact CB-CD2 3.49Å; E186-W188 VanDerWaalsContact CB-CD2 3.49Å; E186-W188 HydrophobicContact CB-CE3 4Å; E186-W188 HydrophobicContact CB-CG 3.71Å; E186-W188 HydrophobicContact CB-CH2 4.45Å; E186-W188 HydrophobicContact CB-CZ2 4.02Å; E186-W188 HydrophobicContact CB-CZ3 4.44Å; E186-W188 HydrophobicContact CG-CD2 4.12Å; E186-W188 HydrophobicContact CG-CE3 4.21Å; E186-W188 HydrophobicContact CG-CH2 4.06Å; E186-W188 HydrophobicContact CG-CZ2 3.97Å; E186-W188 HydrophobicContact CG-CZ3 4.18Å; E186-W188 PolarHBondContact O-N 3.36Å; E186-W188 VanDerWaalsContact O-N 3.12Å; W188-E192 HydrophobicContact CB-CB 3.98Å; W188-E192 HydrophobicContact CG-CB 4.44Å; W188-F196 HydrophobicContact CE3-CB 4.45Å; W188-F196 HydrophobicContact CH2-CD1 4.34Å; W188-F196 HydrophobicContact CH2-CD2 4.15Å; W188-F196 HydrophobicContact CH2-CE2 4.48Å; W188-F196 HydrophobicContact CH2-CG 4.06Å; W188-F196 HydrophobicContact CZ3-CB 3.84Å; W188-F196 AromaticContact CZ3-CD1 3.73Å; W188-F196 HydrophobicContact CZ3-CD1 3.73Å; W188-F196 HydrophobicContact CZ3-CD2 4.17Å; W188-F196 HydrophobicContact CZ3-CE1 4.35Å; W188-F196 AromaticContact CZ3-CG 3.62Å; W188-F196 HydrophobicContact CZ3-CG 3.62Å; W188-L209 HydrophobicContact CH2-CB 4Å; W188-L209 HydrophobicContact CZ2-CB 4.06Å; W188-L209 HydrophobicContact CZ2-CD2 4.18Å; W188-L209 HydrophobicContact CZ3-CB 4.49Å; W188-A211 HydrophobicContact CH2-CB 4.24Å | ||
| 189 | T | 96.8 | Very high | 94.9 | Very high | 76 Ų | 76 | 55 Ų | 55 | 47% | 0.466 | 29% | 0.286 | S | S | . | . | trans | -70.4 | 160.5 | 165 | 65.2 | 0 | 0 | 0 | 0 | 110.6 | I191 E192 G193 | T189-I191 PolarHBondContact O-N 3.36Å; T189-E192 WeakPolarHBondContact CB-OE2 3.38Å; T189-E192 WeakPolarHBondContact CG2-OE2 3.47Å; T189-E192 PolarHBondContact N-OE2 3.29Å; T189-E192 PolarHBondContact O-N 3.45Å; T189-E192 VanDerWaalsContact OG1-CD 3.24Å; T189-E192 VanDerWaalsContact OG1-CG 3.27Å; T189-E192 WeakPolarHBondContact OG1-CG 3.31Å; T189-E192 PolarHBondContact OG1-N 2.91Å; T189-E192 PolarHBondContact OG1-OE2 3.45Å; T189-G193 PolarHBondContact O-N 2.89Å | ||
| 190 | Y | 96.4 | Very high | 94.9 | Very high | 74 Ų | 74 | 55 Ų | 55 | 29% | 0.29 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -56.9 | -37.9 | 176.1 | -177.2 | -92.9 | 0 | 0 | 0 | 112.2 | P179 F180 M183 G193 L194 | P179-Y190 HydrophobicContact CB-CD2 3.65Å; P179-Y190 HydrophobicContact CB-CE2 3.6Å; P179-Y190 HydrophobicContact CB-CG 4.28Å; P179-Y190 HydrophobicContact CG-CE2 4.23Å; F180-Y190 HydrophobicContact CD1-CD2 4.21Å; F180-Y190 HydrophobicContact CD1-CE2 4.31Å; F180-Y190 HydrophobicContact CD2-CE2 4.02Å; F180-Y190 AromaticContact CE1-CD2 3.93Å; F180-Y190 HydrophobicContact CE1-CD2 3.93Å; F180-Y190 AromaticContact CE1-CE2 3.89Å; F180-Y190 HydrophobicContact CE1-CE2 3.89Å; F180-Y190 HydrophobicContact CE2-CD2 4.39Å; F180-Y190 AromaticContact CE2-CE2 3.58Å; F180-Y190 HydrophobicContact CE2-CE2 3.58Å; F180-Y190 HydrophobicContact CG-CE2 4.37Å; F180-Y190 HydrophobicContact CZ-CD2 4.03Å; F180-Y190 AromaticContact CZ-CE2 3.51Å; F180-Y190 HydrophobicContact CZ-CE2 3.51Å; M183-Y190 HydrophobicContact SD-CD2 4Å; M183-Y190 HydrophobicContact SD-CG 4.34Å; Y190-G193 PolarHBondContact O-N 3.46Å; Y190-L194 HydrophobicContact CE1-CB 4.49Å; Y190-L194 HydrophobicContact CE1-CD2 4.28Å; Y190-L194 WeakPolarHBondContact O-CB 3.2Å; Y190-L194 PolarHBondContact O-N 3.29Å |
| 191 | I | 96.6 | Very high | 94.8 | Very high | 130 Ų | 130 | 49.8 Ų | 49.8 | 67% | 0.667 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -68.7 | -44 | -178.2 | -60.6 | 178.1 | 0 | 0 | 0 | 110.4 | T189 L194 Y195 | T189-I191 PolarHBondContact O-N 3.36Å; I191-L194 PolarHBondContact O-N 3.41Å; I191-Y195 VanDerWaalsContact O-CB 3.26Å; I191-Y195 WeakPolarHBondContact O-CB 3.18Å; I191-Y195 PolarHBondContact O-N 2.83Å |
| 192 | E | 96.2 | Very high | 94.8 | Very high | 79 Ų | 79 | 48.2 Ų | 48.2 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 174.7 | -73.9 | 163.3 | 155.3 | 0 | 0 | 111.5 | W188 T189 L194 Y195 F196 L209 | W188-E192 HydrophobicContact CB-CB 3.98Å; W188-E192 HydrophobicContact CG-CB 4.44Å; T189-E192 WeakPolarHBondContact CB-OE2 3.38Å; T189-E192 WeakPolarHBondContact CG2-OE2 3.47Å; T189-E192 PolarHBondContact N-OE2 3.29Å; T189-E192 PolarHBondContact O-N 3.45Å; T189-E192 VanDerWaalsContact OG1-CD 3.24Å; T189-E192 VanDerWaalsContact OG1-CG 3.27Å; T189-E192 WeakPolarHBondContact OG1-CG 3.31Å; T189-E192 PolarHBondContact OG1-N 2.91Å; T189-E192 PolarHBondContact OG1-OE2 3.45Å; E192-L194 VanDerWaalsContact C-N 3.35Å; E192-L194 PolarHBondContact O-N 3.14Å; E192-Y195 PolarHBondContact O-N 3.47Å; E192-F196 WeakPolarHBondContact O-CB 3.35Å; E192-F196 PolarHBondContact O-N 2.8Å; E192-L209 HydrophobicContact CB-CD1 3.87Å; E192-L209 HydrophobicContact CG-CD1 4.31Å |
| 193 | G | 96.3 | Very high | 94.8 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -62.9 | -38.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | T189 Y190 S197 | T189-G193 PolarHBondContact O-N 2.89Å; Y190-G193 PolarHBondContact O-N 3.46Å; G193-S197 WeakPolarHBondContact O-CB 3.42Å; G193-S197 PolarHBondContact O-N 3Å; G193-S197 PolarHBondContact O-OG 3.27Å |
| 194 | L | 96.9 | Very high | 94.8 | Very high | 64 Ų | 64 | 50.1 Ų | 50.1 | 34% | 0.335 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -68.7 | -43.4 | 175.8 | 178.1 | 63.9 | 0 | 0 | 0 | 111.6 | L175 P179 Y190 I191 E192 S197 F198 | L175-L194 HydrophobicContact CB-CD1 4.29Å; L175-L194 WeakPolarHBondContact O-CD1 3.2Å; P179-L194 HydrophobicContact CG-CB 3.93Å; P179-L194 HydrophobicContact CG-CD1 4.37Å; Y190-L194 HydrophobicContact CE1-CB 4.49Å; Y190-L194 HydrophobicContact CE1-CD2 4.28Å; Y190-L194 WeakPolarHBondContact O-CB 3.2Å; Y190-L194 PolarHBondContact O-N 3.29Å; I191-L194 PolarHBondContact O-N 3.41Å; E192-L194 VanDerWaalsContact C-N 3.35Å; E192-L194 PolarHBondContact O-N 3.14Å; L194-S197 PolarHBondContact O-N 3.26Å; L194-F198 WeakPolarHBondContact O-CB 3.32Å; L194-F198 PolarHBondContact O-N 3.42Å |
| 195 | Y | 96.8 | Very high | 95 | Very high | 85 Ų | 85 | 46.5 Ų | 46.5 | 33% | 0.333 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.9 | -49.9 | 175.2 | 166.4 | -98.3 | 0 | 0 | 0 | 110.9 | I191 E192 S197 F198 V199 F206 D208 L209 | I191-Y195 VanDerWaalsContact O-CB 3.26Å; I191-Y195 WeakPolarHBondContact O-CB 3.18Å; I191-Y195 PolarHBondContact O-N 2.83Å; E192-Y195 PolarHBondContact O-N 3.47Å; Y195-S197 VanDerWaalsContact C-N 3.32Å; Y195-S197 PolarHBondContact O-N 3.4Å; Y195-F198 PolarHBondContact O-N 2.87Å; Y195-V199 HydrophobicContact CD2-CG2 3.89Å; Y195-V199 HydrophobicContact CE1-CG2 4.27Å; Y195-V199 HydrophobicContact CE2-CG2 3.59Å; Y195-V199 HydrophobicContact CG-CG2 4.36Å; Y195-V199 WeakPolarHBondContact O-CB 3.3Å; Y195-V199 VanDerWaalsContact O-CG2 3.3Å; Y195-V199 WeakPolarHBondContact O-CG2 3.38Å; Y195-V199 PolarHBondContact O-N 2.94Å; Y195-F206 WeakPolarHBondContact OH-CD2 3.33Å; Y195-D208 WeakPolarHBondContact CE1-OD2 3.49Å; Y195-D208 VanDerWaalsContact CZ-OD2 3.31Å; Y195-D208 PolarHBondContact OH-OD2 3.28Å; Y195-L209 HydrophobicContact CD1-CD1 3.97Å; Y195-L209 HydrophobicContact CE1-CD1 4.36Å |
| 196 | F | 96.3 | Very high | 95.1 | Very high | 3 Ų | 3 | 49 Ų | 49 | 1% | 0.013 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.1 | -45.7 | 174.4 | 170.3 | -103.2 | 0 | 0 | 0 | 111.9 | Y101 F182 W188 E192 F198 V199 T200 L209 A211 W230 | Y101-F196 HydrophobicContact CE1-CE2 4.12Å; Y101-F196 WeakPolarHBondContact OH-CE2 3.43Å; F182-F196 HydrophobicContact CD2-CD1 4.08Å; F182-F196 HydrophobicContact CE1-CD1 4.36Å; F182-F196 AromaticContact CE1-CE1 3.95Å; F182-F196 HydrophobicContact CE1-CE1 3.95Å; F182-F196 AromaticContact CE2-CD1 3.65Å; F182-F196 HydrophobicContact CE2-CD1 3.65Å; F182-F196 AromaticContact CE2-CE1 3.82Å; F182-F196 HydrophobicContact CE2-CE1 3.82Å; F182-F196 AromaticContact CZ-CD1 3.84Å; F182-F196 HydrophobicContact CZ-CD1 3.84Å; F182-F196 AromaticContact CZ-CE1 3.5Å; F182-F196 HydrophobicContact CZ-CE1 3.5Å; F182-F196 VanDerWaalsContact CZ-CE1 3.5Å; W188-F196 HydrophobicContact CE3-CB 4.45Å; W188-F196 HydrophobicContact CH2-CD1 4.34Å; W188-F196 HydrophobicContact CH2-CD2 4.15Å; W188-F196 HydrophobicContact CH2-CE2 4.48Å; W188-F196 HydrophobicContact CH2-CG 4.06Å; W188-F196 HydrophobicContact CZ3-CB 3.84Å; W188-F196 AromaticContact CZ3-CD1 3.73Å; W188-F196 HydrophobicContact CZ3-CD1 3.73Å; W188-F196 HydrophobicContact CZ3-CD2 4.17Å; W188-F196 HydrophobicContact CZ3-CE1 4.35Å; W188-F196 AromaticContact CZ3-CG 3.62Å; W188-F196 HydrophobicContact CZ3-CG 3.62Å; E192-F196 WeakPolarHBondContact O-CB 3.35Å; E192-F196 PolarHBondContact O-N 2.8Å; F196-F198 PolarHBondContact O-N 3.08Å; F196-V199 PolarHBondContact O-N 3.26Å; F196-T200 VanDerWaalsContact CE2-OG1 3.24Å; F196-T200 WeakPolarHBondContact CE2-OG1 3.34Å; F196-T200 WeakPolarHBondContact O-CB 3.4Å; F196-T200 PolarHBondContact O-N 2.99Å; F196-T200 PolarHBondContact O-OG1 2.83Å; F196-L209 HydrophobicContact CB-CB 4.34Å; F196-L209 HydrophobicContact CB-CD1 4.36Å; F196-L209 HydrophobicContact CD2-CB 4.07Å; F196-L209 WeakPolarHBondContact CD2-O 3.36Å; F196-L209 VanDerWaalsContact CE2-O 3.32Å; F196-L209 WeakPolarHBondContact CE2-O 3.39Å; F196-A211 HydrophobicContact CE1-CB 4.17Å; F196-A211 HydrophobicContact CZ-CB 3.99Å; F196-W230 HydrophobicContact CE1-CH2 4.2Å; F196-W230 AromaticContact CE1-CZ3 3.97Å; F196-W230 HydrophobicContact CE1-CZ3 3.97Å |
| 197 | S | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -44.8 | 179.5 | -57.8 | 0 | 0 | 0 | 0 | 111.7 | G193 L194 Y195 L201 | G193-S197 WeakPolarHBondContact O-CB 3.42Å; G193-S197 PolarHBondContact O-N 3Å; G193-S197 PolarHBondContact O-OG 3.27Å; L194-S197 PolarHBondContact O-N 3.26Å; Y195-S197 VanDerWaalsContact C-N 3.32Å; Y195-S197 PolarHBondContact O-N 3.4Å; S197-L201 VanDerWaalsContact O-CB 3.3Å; S197-L201 WeakPolarHBondContact O-CB 3.15Å; S197-L201 WeakPolarHBondContact O-CD1 3.36Å; S197-L201 WeakPolarHBondContact O-CG 3.08Å; S197-L201 PolarHBondContact O-N 3.15Å |
| 198 | F | 95.7 | Very high | 95.1 | Very high | 109 Ų | 109 | 51.4 Ų | 51.4 | 48% | 0.478 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -65.2 | -51 | 177.2 | 176.2 | -98.3 | 0 | 0 | 0 | 112.1 | L175 L194 Y195 F196 T200 L201 T202 I204 | L175-F198 HydrophobicContact CD2-CB 4.3Å; L194-F198 WeakPolarHBondContact O-CB 3.32Å; L194-F198 PolarHBondContact O-N 3.42Å; Y195-F198 PolarHBondContact O-N 2.87Å; F196-F198 PolarHBondContact O-N 3.08Å; F198-T200 VanDerWaalsContact C-N 3.32Å; F198-T200 PolarHBondContact O-N 3.01Å; F198-L201 PolarHBondContact O-N 2.94Å; F198-T202 HydrophobicContact CD2-CG2 3.94Å; F198-T202 HydrophobicContact CE1-CG2 4.34Å; F198-T202 HydrophobicContact CE2-CG2 3.62Å; F198-T202 HydrophobicContact CG-CG2 4.44Å; F198-T202 HydrophobicContact CZ-CG2 3.84Å; F198-T202 WeakPolarHBondContact O-CB 3.32Å; F198-T202 WeakPolarHBondContact O-CG2 3.32Å; F198-T202 PolarHBondContact O-N 3.5Å; F198-T202 PolarHBondContact O-OG1 2.96Å; F198-I204 HydrophobicContact CE1-CD1 4.27Å |
| 199 | V | 95.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.4 | -39.9 | -178 | 167.4 | 0 | 0 | 0 | 0 | 111.7 | Y195 F196 T202 I204 G205 F206 | Y195-V199 HydrophobicContact CD2-CG2 3.89Å; Y195-V199 HydrophobicContact CE1-CG2 4.27Å; Y195-V199 HydrophobicContact CE2-CG2 3.59Å; Y195-V199 HydrophobicContact CG-CG2 4.36Å; Y195-V199 WeakPolarHBondContact O-CB 3.3Å; Y195-V199 VanDerWaalsContact O-CG2 3.3Å; Y195-V199 WeakPolarHBondContact O-CG2 3.38Å; Y195-V199 PolarHBondContact O-N 2.94Å; F196-V199 PolarHBondContact O-N 3.26Å; V199-T202 PolarHBondContact O-OG1 3.45Å; V199-I204 HydrophobicContact CG1-CB 4.1Å; V199-I204 HydrophobicContact CG1-CG2 4.24Å; V199-I204 PolarHBondContact O-N 3.42Å; V199-G205 PolarHBondContact O-N 2.95Å; V199-F206 HydrophobicContact CG1-CB 4.44Å; V199-F206 HydrophobicContact CG1-CD2 3.8Å; V199-F206 HydrophobicContact CG1-CG 4.38Å; V199-F206 HydrophobicContact CG2-CD2 3.99Å; V199-F206 HydrophobicContact CG2-CE2 4.19Å |
| 200 | T | 95.4 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68.1 | -51.6 | 177.4 | -63.9 | 0 | 0 | 0 | 0 | 111.4 | I99 Y101 F196 F198 T202 T203 I231 | I99-T200 HydrophobicContact CD1-CG2 4.24Å; Y101-T200 WeakPolarHBondContact OH-CG2 3.46Å; Y101-T200 PolarHBondContact OH-OG1 3.22Å; F196-T200 VanDerWaalsContact CE2-OG1 3.24Å; F196-T200 WeakPolarHBondContact CE2-OG1 3.34Å; F196-T200 WeakPolarHBondContact O-CB 3.4Å; F196-T200 PolarHBondContact O-N 2.99Å; F196-T200 PolarHBondContact O-OG1 2.83Å; F198-T200 VanDerWaalsContact C-N 3.32Å; F198-T200 PolarHBondContact O-N 3.01Å; T200-T202 VanDerWaalsContact C-N 3.33Å; T200-T202 PolarHBondContact O-N 3Å; T200-T203 PolarHBondContact O-N 3.47Å; T200-I231 HydrophobicContact CG2-CD1 3.68Å; T200-I231 HydrophobicContact CG2-CG1 3.71Å; T200-I231 HydrophobicContact CG2-CG2 4.3Å |
| 201 | L | 93.8 | Very high | 94.4 | Very high | 5 Ų | 5 | 45.4 Ų | 45.4 | 3% | 0.026 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.7 | -30.2 | -174.9 | -68.2 | 173.1 | 0 | 0 | 0 | 113 | H174 L175 S197 F198 T203 W230 L235 L238 | H174-L201 HydrophobicContact CB-CD1 3.65Å; H174-L201 VanDerWaalsContact O-CD1 3.31Å; H174-L201 WeakPolarHBondContact O-CD1 3.36Å; L175-L201 HydrophobicContact CD2-CD1 4.03Å; S197-L201 VanDerWaalsContact O-CB 3.3Å; S197-L201 WeakPolarHBondContact O-CB 3.15Å; S197-L201 WeakPolarHBondContact O-CD1 3.36Å; S197-L201 WeakPolarHBondContact O-CG 3.08Å; S197-L201 PolarHBondContact O-N 3.15Å; F198-L201 PolarHBondContact O-N 2.94Å; L201-T203 PolarHBondContact O-N 2.93Å; L201-W230 HydrophobicContact CD1-CZ2 4.17Å; L201-W230 HydrophobicContact CG-CZ2 4.44Å; L201-L235 WeakPolarHBondContact O-CD2 3.42Å; L201-L238 WeakPolarHBondContact O-CD2 3.26Å |
| 202 | T | 93.4 | Very high | 93.9 | Very high | 41 Ų | 41 | 39.3 Ų | 39.3 | 25% | 0.252 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 5.5 | 173.5 | 55.9 | 0 | 0 | 0 | 0 | 113.5 | F198 V199 T200 I204 | F198-T202 HydrophobicContact CD2-CG2 3.94Å; F198-T202 HydrophobicContact CE1-CG2 4.34Å; F198-T202 HydrophobicContact CE2-CG2 3.62Å; F198-T202 HydrophobicContact CG-CG2 4.44Å; F198-T202 HydrophobicContact CZ-CG2 3.84Å; F198-T202 WeakPolarHBondContact O-CB 3.32Å; F198-T202 WeakPolarHBondContact O-CG2 3.32Å; F198-T202 PolarHBondContact O-N 3.5Å; F198-T202 PolarHBondContact O-OG1 2.96Å; V199-T202 PolarHBondContact O-OG1 3.45Å; T200-T202 VanDerWaalsContact C-N 3.33Å; T200-T202 PolarHBondContact O-N 3Å; T202-I204 PolarHBondContact O-N 3.29Å; T202-I204 WeakPolarHBondContact OG1-CD1 3.31Å; T202-I204 WeakPolarHBondContact OG1-CG1 3.49Å |
| 203 | T | 94.4 | Very high | 93.2 | Very high | 49 Ų | 49 | 37 Ų | 37 | 30% | 0.301 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 52.9 | 35.4 | -179.2 | 69.5 | 0 | 0 | 0 | 0 | 112.5 | I99 T200 L201 L235 | I99-T203 HydrophobicContact CG1-CG2 4.07Å; T200-T203 PolarHBondContact O-N 3.47Å; L201-T203 PolarHBondContact O-N 2.93Å; T203-L235 HydrophobicContact CG2-CD2 3.54Å |
| 204 | I | 95.7 | Very high | 92.5 | Very high | 77 Ų | 77 | 41 Ų | 41 | 40% | 0.395 | 21% | 0.211 | S | C | . | . | trans | -82.3 | -47.2 | 171.8 | -65.2 | 172.9 | 0 | 0 | 0 | 109.3 | F198 V199 T202 F206 | F198-I204 HydrophobicContact CE1-CD1 4.27Å; V199-I204 HydrophobicContact CG1-CB 4.1Å; V199-I204 HydrophobicContact CG1-CG2 4.24Å; V199-I204 PolarHBondContact O-N 3.42Å; T202-I204 PolarHBondContact O-N 3.29Å; T202-I204 WeakPolarHBondContact OG1-CD1 3.31Å; T202-I204 WeakPolarHBondContact OG1-CG1 3.49Å; I204-F206 HydrophobicContact CG2-CD1 4.07Å; I204-F206 HydrophobicContact CG2-CD2 3.91Å; I204-F206 HydrophobicContact CG2-CE1 3.73Å; I204-F206 HydrophobicContact CG2-CE2 3.58Å; I204-F206 HydrophobicContact CG2-CG 4.15Å; I204-F206 HydrophobicContact CG2-CZ 3.49Å; I204-F206 VanDerWaalsContact CG2-CZ 3.49Å | ||
| 205 | G | 94.4 | Very high | 91.4 | Very high | 5 Ų | 5 | 40 Ų | 40 | 5% | 0.052 | 21% | 0.208 | C | C | . | . | trans | 52.7 | 60 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | I99 Y101 V199 G207 | I99-G205 WeakPolarHBondContact O-CA 3.44Å; Y101-G205 VanDerWaalsContact CA-O 3.3Å; Y101-G205 WeakPolarHBondContact CA-O 3.44Å; V199-G205 PolarHBondContact O-N 2.95Å; G205-G207 PolarHBondContact O-N 3.46Å | ||
| 206 | F | 92.8 | Very high | 90.3 | Very high | 129 Ų | 129 | 41.3 Ų | 41.3 | 57% | 0.566 | 22% | 0.221 | S | C | * | . | trans | -62.1 | -29.1 | 177.5 | -67.9 | -58 | 0 | 0 | 0 | 114.3 | Y101 Y195 V199 I204 D208 | Y101-F206 CarbonylContact O-C 3.51Å; Y195-F206 WeakPolarHBondContact OH-CD2 3.33Å; V199-F206 HydrophobicContact CG1-CB 4.44Å; V199-F206 HydrophobicContact CG1-CD2 3.8Å; V199-F206 HydrophobicContact CG1-CG 4.38Å; V199-F206 HydrophobicContact CG2-CD2 3.99Å; V199-F206 HydrophobicContact CG2-CE2 4.19Å; I204-F206 HydrophobicContact CG2-CD1 4.07Å; I204-F206 HydrophobicContact CG2-CD2 3.91Å; I204-F206 HydrophobicContact CG2-CE1 3.73Å; I204-F206 HydrophobicContact CG2-CE2 3.58Å; I204-F206 HydrophobicContact CG2-CG 4.15Å; I204-F206 HydrophobicContact CG2-CZ 3.49Å; I204-F206 VanDerWaalsContact CG2-CZ 3.49Å; F206-D208 PolarHBondContact O-N 2.83Å | ||
| 207 | G | 90.4 | Very high | 89.6 | Confident | 17 Ų | 17 | 45.1 Ų | 45.1 | 18% | 0.175 | 24% | 0.237 | C | C | . | . | trans | 74 | 9.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y101 G205 L209 | Y101-G207 WeakPolarHBondContact O-CA 3.4Å; Y101-G207 PolarHBondContact O-N 3.02Å; G205-G207 PolarHBondContact O-N 3.46Å; G207-L209 VanDerWaalsContact C-N 3.32Å | ||
| 208 | D | 90.9 | Very high | 88.8 | Confident | 93 Ų | 93 | 54.6 Ų | 54.6 | 50% | 0.497 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -63 | -38.7 | 166.4 | 54.4 | -13.1 | 0 | 0 | 0 | 111.9 | Y195 F206 | Y195-D208 WeakPolarHBondContact CE1-OD2 3.49Å; Y195-D208 VanDerWaalsContact CZ-OD2 3.31Å; Y195-D208 PolarHBondContact OH-OD2 3.28Å; F206-D208 PolarHBondContact O-N 2.83Å |
| 209 | L | 92.4 | Very high | 88.3 | Confident | 32 Ų | 32 | 51.6 Ų | 51.6 | 17% | 0.168 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -120.2 | 126.5 | 171.4 | -62.4 | 179.2 | 0 | 0 | 0 | 110.1 | W188 E192 Y195 F196 G207 | W188-L209 HydrophobicContact CH2-CB 4Å; W188-L209 HydrophobicContact CZ2-CB 4.06Å; W188-L209 HydrophobicContact CZ2-CD2 4.18Å; W188-L209 HydrophobicContact CZ3-CB 4.49Å; E192-L209 HydrophobicContact CB-CD1 3.87Å; E192-L209 HydrophobicContact CG-CD1 4.31Å; Y195-L209 HydrophobicContact CD1-CD1 3.97Å; Y195-L209 HydrophobicContact CE1-CD1 4.36Å; F196-L209 HydrophobicContact CB-CB 4.34Å; F196-L209 HydrophobicContact CB-CD1 4.36Å; F196-L209 HydrophobicContact CD2-CB 4.07Å; F196-L209 WeakPolarHBondContact CD2-O 3.36Å; F196-L209 VanDerWaalsContact CE2-O 3.32Å; F196-L209 WeakPolarHBondContact CE2-O 3.39Å; G207-L209 VanDerWaalsContact C-N 3.32Å |
| 210 | V | 91.1 | Very high | 87.9 | Confident | 22 Ų | 22 | 54.9 Ų | 54.9 | 13% | 0.133 | 29% | 0.289 | C | S | . | . | trans | -138 | 129.8 | 175.6 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | Y101 N103 V213 | Y101-V210 HydrophobicContact CD1-CG2 4.14Å; Y101-V210 HydrophobicContact CD2-CG1 4.34Å; Y101-V210 HydrophobicContact CD2-CG2 4.3Å; Y101-V210 HydrophobicContact CE2-CG1 4.42Å; Y101-V210 HydrophobicContact CG-CG2 3.96Å; N103-V210 HydrophobicContact CB-CG2 4.38Å; V210-V213 HydrophobicContact CB-CG2 3.73Å; V210-V213 HydrophobicContact CG1-CG1 3.8Å; V210-V213 HydrophobicContact CG1-CG2 3.89Å; V210-V213 WeakPolarHBondContact O-CG2 3.39Å | ||
| 211 | A | 91.4 | Very high | 87.2 | Confident | 10 Ų | 10 | 61 Ų | 61 | 8% | 0.083 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 137 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112 | F182 E186 W188 F196 Y223 V227 | F182-A211 HydrophobicContact CD1-CB 4.32Å; F182-A211 HydrophobicContact CE1-CB 3.86Å; E186-A211 VanDerWaalsContact OE1-CA 3.23Å; E186-A211 WeakPolarHBondContact OE1-CA 3.34Å; W188-A211 HydrophobicContact CH2-CB 4.24Å; F196-A211 HydrophobicContact CE1-CB 4.17Å; F196-A211 HydrophobicContact CZ-CB 3.99Å; A211-Y223 HydrophobicContact CB-CE1 4.42Å; A211-V227 HydrophobicContact CB-CG1 4.18Å; A211-V227 HydrophobicContact CB-CG2 4.3Å |
| 212 | G | 85.9 | Confident | 86.8 | Confident | 2 Ų | 2 | 65.5 Ų | 65.5 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 78.2 | 20.7 | 171 | 0 | 0 | 0 | 0 | 0 | 115.3 | E186 R224 | E186-G212 PolarHBondContact OE1-N 3.32Å; G212-R224 WeakPolarHBondContact O-CD 3.37Å; G212-R224 VanDerWaalsContact O-CZ 3.31Å; G212-R224 PolarHBondContact O-NE 2.96Å |
| 213 | V | 81.7 | Confident | 86.7 | Confident | 29 Ų | 29 | 64.4 Ų | 64.4 | 18% | 0.176 | 34% | 0.341 | C | S | . | . | trans | -115.7 | -4.3 | -178.8 | -60.3 | 0 | 0 | 0 | 0 | 114.4 | V210 P215 | V210-V213 HydrophobicContact CB-CG2 3.73Å; V210-V213 HydrophobicContact CG1-CG1 3.8Å; V210-V213 HydrophobicContact CG1-CG2 3.89Å; V210-V213 WeakPolarHBondContact O-CG2 3.39Å; V213-P215 WeakPolarHBondContact O-CD 3.5Å | ||
| 214 | E | 81.3 | Confident | 86.3 | Confident | 86 Ų | 86 | 64.1 Ų | 64.1 | 40% | 0.402 | 34% | 0.335 | S | S | . | . | trans | -67 | 119.1 | -179 | -172.5 | 61.1 | -137.7 | 0 | 0 | 110.9 | N216 K217 Y219 | E214-N216 HydrophobicContact CG-CB 4.47Å; E214-N216 PolarHBondContact O-N 3.49Å; E214-N216 PolarHBondContact OE1-ND2 2.98Å; E214-K217 HydrophobicContact CB-CB 4.28Å; E214-K217 HydrophobicContact CB-CD 4.35Å; E214-K217 HydrophobicContact CB-CG 4.31Å; E214-K217 HydrophobicContact CG-CB 4.35Å; E214-K217 HydrophobicContact CG-CD 4.2Å; E214-K217 HydrophobicContact CG-CG 3.96Å; E214-K217 PolarHBondContact O-N 3.3Å; E214-Y219 HydrophobicContact CB-CE2 4.12Å; E214-Y219 WeakPolarHBondContact CB-OH 3.41Å | ||
| 215 | P | 73.9 | Confident | 85.9 | Confident | 42 Ų | 42 | 66 Ų | 66 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -26.7 | -176.9 | -21 | 32.4 | 0 | 0 | 0 | 113.6 | T73 F80 V213 K217 | T73-P215 HydrophobicContact CG2-CG 4.19Å; F80-P215 HydrophobicContact CB-CB 4.09Å; F80-P215 HydrophobicContact CB-CG 3.81Å; F80-P215 HydrophobicContact CG-CG 4.43Å; V213-P215 WeakPolarHBondContact O-CD 3.5Å; P215-K217 VanDerWaalsContact C-N 3.35Å |
| 216 | N | 73.7 | Confident | 85.8 | Confident | 113 Ų | 113 | 72.3 Ų | 72.3 | 60% | 0.604 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | -2.1 | -174 | -60.8 | -52 | 0 | 0 | 0 | 113.4 | E214 | E214-N216 HydrophobicContact CG-CB 4.47Å; E214-N216 PolarHBondContact O-N 3.49Å; E214-N216 PolarHBondContact OE1-ND2 2.98Å |
| 217 | K | 80.1 | Confident | 85.8 | Confident | 83 Ų | 83 | 67 Ų | 67 | 36% | 0.361 | 34% | 0.342 | S | S | . | . | S | Bend | trans | -113.9 | 138.7 | -179.4 | -70 | -173.2 | -179.7 | -171 | 0 | 111.8 | E186 E214 P215 Y219 | E186-K217 PolarHBondContact O-NZ 3.23Å; E214-K217 HydrophobicContact CB-CB 4.28Å; E214-K217 HydrophobicContact CB-CD 4.35Å; E214-K217 HydrophobicContact CB-CG 4.31Å; E214-K217 HydrophobicContact CG-CB 4.35Å; E214-K217 HydrophobicContact CG-CD 4.2Å; E214-K217 HydrophobicContact CG-CG 3.96Å; E214-K217 PolarHBondContact O-N 3.3Å; P215-K217 VanDerWaalsContact C-N 3.35Å; K217-Y219 HydrophobicContact CB-CD2 4.44Å; K217-Y219 HydrophobicContact CB-CE1 4.4Å; K217-Y219 HydrophobicContact CB-CE2 3.85Å; K217-Y219 PolarHBondContact O-N 3.48Å |
| 218 | E | 80.9 | Confident | 85.8 | Confident | 198 Ų | 198 | 67.2 Ų | 67.2 | 93% | 0.925 | 34% | 0.339 | S | S | * | . | trans | -89.1 | 106.2 | 172.9 | -68.4 | -174.1 | 176.5 | 0 | 0 | 109.6 | ||||
| 219 | Y | 84.3 | Confident | 85.8 | Confident | 46 Ų | 46 | 66.6 Ų | 66.6 | 18% | 0.18 | 34% | 0.338 | C | S | . | . | trans | -91.8 | 147.4 | 176.1 | -61.5 | -77.8 | 0 | 0 | 0 | 111.6 | E186 E214 K217 Y223 | E186-Y219 WeakPolarHBondContact OE1-CE1 3.33Å; E186-Y219 WeakPolarHBondContact OE2-CE1 3.33Å; E186-Y219 PolarHBondContact OE2-OH 3.02Å; E214-Y219 HydrophobicContact CB-CE2 4.12Å; E214-Y219 WeakPolarHBondContact CB-OH 3.41Å; K217-Y219 HydrophobicContact CB-CD2 4.44Å; K217-Y219 HydrophobicContact CB-CE1 4.4Å; K217-Y219 HydrophobicContact CB-CE2 3.85Å; K217-Y219 PolarHBondContact O-N 3.48Å; Y219-Y223 AromaticContact CD1-CD1 3.67Å; Y219-Y223 HydrophobicContact CD1-CD1 3.67Å; Y219-Y223 AromaticContact CD1-CE1 3.84Å; Y219-Y223 HydrophobicContact CD1-CE1 3.84Å; Y219-Y223 HydrophobicContact CE1-CD1 4.32Å; Y219-Y223 HydrophobicContact CE1-CE1 4.04Å; Y219-Y223 HydrophobicContact CG-CD1 4.17Å | ||
| 220 | P | 87.4 | Confident | 85.9 | Confident | 74 Ų | 74 | 66.7 Ų | 66.7 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | trans | -56.7 | 140.2 | 165 | -21.3 | 31.8 | 0 | 0 | 0 | 111 | L222 Y223 | P220-L222 PolarHBondContact O-N 2.91Å; P220-L222 VanDerWaalsContact O-N 3.1Å; P220-Y223 WeakPolarHBondContact O-CB 3.48Å; P220-Y223 PolarHBondContact O-N 3.21Å | ||
| 221 | T | 80.8 | Confident | 86.1 | Confident | 128 Ų | 128 | 65.8 Ų | 65.8 | 79% | 0.785 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -34.6 | -175.5 | 51.9 | 0 | 0 | 0 | 0 | 113.9 | ||
| 222 | L | 86.7 | Confident | 86.1 | Confident | 99 Ų | 99 | 67.8 Ų | 67.8 | 52% | 0.518 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -9.3 | -179.2 | -63.3 | 179.6 | 0 | 0 | 0 | 114.2 | P220 R224 Y225 F226 | P220-L222 PolarHBondContact O-N 2.91Å; P220-L222 VanDerWaalsContact O-N 3.1Å; L222-R224 VanDerWaalsContact C-N 3.3Å; L222-R224 PolarHBondContact O-N 3.28Å; L222-Y225 HydrophobicContact CD2-CD2 4.33Å; L222-Y225 PolarHBondContact O-N 3.36Å; L222-Y225 VanDerWaalsContact O-N 3.15Å; L222-F226 HydrophobicContact CB-CD2 3.89Å; L222-F226 HydrophobicContact CB-CE2 3.54Å; L222-F226 HydrophobicContact CB-CZ 4.44Å; L222-F226 HydrophobicContact CD1-CE2 4.24Å; L222-F226 WeakPolarHBondContact O-CD2 3.34Å; L222-F226 PolarHBondContact O-N 2.94Å |
| 223 | Y | 89.8 | Confident | 86.4 | Confident | 19 Ų | 19 | 71.4 Ų | 71.4 | 8% | 0.075 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -54 | -46.8 | -172.7 | 174.3 | -114.3 | 0 | 0 | 0 | 112.3 | F182 Q185 E186 A211 Y219 P220 Y225 F226 V227 | F182-Y223 WeakPolarHBondContact CD1-OH 3.39Å; F182-Y223 WeakPolarHBondContact CE1-OH 3.34Å; Q185-Y223 HydrophobicContact CB-CE2 4Å; Q185-Y223 HydrophobicContact CG-CD2 4.4Å; Q185-Y223 HydrophobicContact CG-CE2 3.86Å; E186-Y223 VanDerWaalsContact OE1-CE1 3.29Å; E186-Y223 WeakPolarHBondContact OE1-CE1 3.34Å; E186-Y223 PolarHBondContact OE1-OH 3.08Å; A211-Y223 HydrophobicContact CB-CE1 4.42Å; Y219-Y223 AromaticContact CD1-CD1 3.67Å; Y219-Y223 HydrophobicContact CD1-CD1 3.67Å; Y219-Y223 AromaticContact CD1-CE1 3.84Å; Y219-Y223 HydrophobicContact CD1-CE1 3.84Å; Y219-Y223 HydrophobicContact CE1-CD1 4.32Å; Y219-Y223 HydrophobicContact CE1-CE1 4.04Å; Y219-Y223 HydrophobicContact CG-CD1 4.17Å; P220-Y223 WeakPolarHBondContact O-CB 3.48Å; P220-Y223 PolarHBondContact O-N 3.21Å; Y223-Y225 PolarHBondContact O-N 2.9Å; Y223-F226 WeakPolarHBondContact O-CB 3.44Å; Y223-F226 PolarHBondContact O-N 3.41Å; Y223-F226 VanDerWaalsContact O-N 3.17Å; Y223-V227 HydrophobicContact CD2-CG2 4.37Å; Y223-V227 HydrophobicContact CE1-CG2 4.14Å; Y223-V227 HydrophobicContact CE2-CG2 3.9Å; Y223-V227 WeakPolarHBondContact O-CG2 3.32Å; Y223-V227 PolarHBondContact O-N 3.31Å |
| 224 | R | 86 | Confident | 86.9 | Confident | 43 Ų | 43 | 70 Ų | 70 | 16% | 0.162 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.8 | -37.1 | -177.5 | -61.4 | 179.1 | 78.5 | -172.6 | -1.7 | 112.7 | N87 I90 G212 L222 F226 V227 E228 | N87-R224 PolarHBondContact OD1-NH1 2.65Å; N87-R224 PolarHBondContact OD1-NH2 2.92Å; I90-R224 HydrophobicContact CD1-CB 4.08Å; G212-R224 WeakPolarHBondContact O-CD 3.37Å; G212-R224 VanDerWaalsContact O-CZ 3.31Å; G212-R224 PolarHBondContact O-NE 2.96Å; L222-R224 VanDerWaalsContact C-N 3.3Å; L222-R224 PolarHBondContact O-N 3.28Å; R224-F226 VanDerWaalsContact C-N 3.33Å; R224-V227 PolarHBondContact O-N 3.01Å; R224-E228 WeakPolarHBondContact O-CB 3.46Å; R224-E228 PolarHBondContact O-N 3.38Å |
| 225 | Y | 88.4 | Confident | 87.4 | Confident | 116 Ų | 116 | 66.4 Ų | 66.4 | 46% | 0.455 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.1 | -37.3 | 173.7 | -63.7 | -75.1 | 0 | 0 | 0 | 111.6 | L222 Y223 E228 V229 | L222-Y225 HydrophobicContact CD2-CD2 4.33Å; L222-Y225 PolarHBondContact O-N 3.36Å; L222-Y225 VanDerWaalsContact O-N 3.15Å; Y223-Y225 PolarHBondContact O-N 2.9Å; Y225-E228 PolarHBondContact O-N 3.19Å; Y225-V229 VanDerWaalsContact O-CG2 3.29Å; Y225-V229 WeakPolarHBondContact O-CG2 3.46Å; Y225-V229 PolarHBondContact O-N 3.24Å |
| 226 | F | 91.9 | Very high | 88.1 | Confident | 137 Ų | 137 | 64.4 Ų | 64.4 | 60% | 0.601 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -66 | -41.4 | 174.2 | -73.8 | -59.6 | 0 | 0 | 0 | 112.6 | L222 Y223 R224 E228 V229 W230 | L222-F226 HydrophobicContact CB-CD2 3.89Å; L222-F226 HydrophobicContact CB-CE2 3.54Å; L222-F226 HydrophobicContact CB-CZ 4.44Å; L222-F226 HydrophobicContact CD1-CE2 4.24Å; L222-F226 WeakPolarHBondContact O-CD2 3.34Å; L222-F226 PolarHBondContact O-N 2.94Å; Y223-F226 WeakPolarHBondContact O-CB 3.44Å; Y223-F226 PolarHBondContact O-N 3.41Å; Y223-F226 VanDerWaalsContact O-N 3.17Å; R224-F226 VanDerWaalsContact C-N 3.33Å; F226-E228 VanDerWaalsContact C-N 3.34Å; F226-V229 PolarHBondContact O-N 3.43Å; F226-W230 WeakPolarHBondContact O-CB 3.34Å; F226-W230 PolarHBondContact O-N 3.12Å |
| 227 | V | 92.8 | Very high | 88.9 | Confident | 17 Ų | 17 | 59.9 Ų | 59.9 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.9 | -46.8 | 173.5 | 173.5 | 0 | 0 | 0 | 0 | 110 | F182 A211 Y223 R224 V229 W230 I231 | F182-V227 HydrophobicContact CE1-CG2 4.3Å; A211-V227 HydrophobicContact CB-CG1 4.18Å; A211-V227 HydrophobicContact CB-CG2 4.3Å; Y223-V227 HydrophobicContact CD2-CG2 4.37Å; Y223-V227 HydrophobicContact CE1-CG2 4.14Å; Y223-V227 HydrophobicContact CE2-CG2 3.9Å; Y223-V227 WeakPolarHBondContact O-CG2 3.32Å; Y223-V227 PolarHBondContact O-N 3.31Å; R224-V227 PolarHBondContact O-N 3.01Å; V227-V229 PolarHBondContact O-N 3Å; V227-W230 HydrophobicContact CG1-CE3 4.15Å; V227-W230 HydrophobicContact CG1-CZ3 4.39Å; V227-W230 WeakPolarHBondContact O-CB 3.49Å; V227-W230 PolarHBondContact O-N 2.94Å; V227-W230 VanDerWaalsContact O-N 3.16Å; V227-I231 HydrophobicContact CG1-CD1 4.11Å; V227-I231 WeakPolarHBondContact O-CG1 3.37Å; V227-I231 PolarHBondContact O-N 3.35Å |
| 228 | E | 90.3 | Very high | 89.3 | Confident | 23 Ų | 23 | 57.1 Ų | 57.1 | 11% | 0.107 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 179.4 | -169.9 | 62.2 | -155.6 | 0 | 0 | 112.4 | A93 R224 Y225 F226 W230 I231 Y232 | A93-E228 WeakPolarHBondContact CB-OE1 3.34Å; R224-E228 WeakPolarHBondContact O-CB 3.46Å; R224-E228 PolarHBondContact O-N 3.38Å; Y225-E228 PolarHBondContact O-N 3.19Å; F226-E228 VanDerWaalsContact C-N 3.34Å; E228-W230 VanDerWaalsContact C-N 3.32Å; E228-W230 PolarHBondContact O-N 3.49Å; E228-I231 WeakPolarHBondContact O-CB 3.45Å; E228-I231 PolarHBondContact O-N 2.88Å; E228-Y232 HydrophobicContact CG-CD2 4.33Å; E228-Y232 HydrophobicContact CG-CE2 3.62Å; E228-Y232 WeakPolarHBondContact O-CD2 3.26Å; E228-Y232 PolarHBondContact O-N 2.95Å; E228-Y232 PolarHBondContact OE1-OH 3Å |
| 229 | V | 91.9 | Very high | 89.5 | Confident | 79 Ų | 79 | 48.6 Ų | 48.6 | 48% | 0.479 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.5 | -41.8 | 175 | 170 | 0 | 0 | 0 | 0 | 111.2 | Y225 F226 V227 I231 Y232 L233 | Y225-V229 VanDerWaalsContact O-CG2 3.29Å; Y225-V229 WeakPolarHBondContact O-CG2 3.46Å; Y225-V229 PolarHBondContact O-N 3.24Å; F226-V229 PolarHBondContact O-N 3.43Å; V227-V229 PolarHBondContact O-N 3Å; V229-I231 VanDerWaalsContact C-N 3.33Å; V229-I231 PolarHBondContact O-N 2.88Å; V229-Y232 PolarHBondContact O-N 3.49Å; V229-L233 HydrophobicContact CG1-CD1 3.98Å; V229-L233 HydrophobicContact CG1-CG 4.36Å; V229-L233 VanDerWaalsContact O-CG 3.29Å; V229-L233 WeakPolarHBondContact O-CG 3.42Å; V229-L233 PolarHBondContact O-N 3.05Å |
| 230 | W | 94.6 | Very high | 89.4 | Confident | 35 Ų | 35 | 47.7 Ų | 47.7 | 13% | 0.133 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.1 | -40.5 | 175.5 | 161.5 | 76.6 | 0 | 0 | 0 | 112.1 | H174 P178 F182 F196 L201 F226 V227 E228 L233 G234 | H174-W230 AromaticContact CD2-CD1 3.85Å; H174-W230 AromaticContact CD2-NE1 3.73Å; P178-W230 HydrophobicContact CB-CZ2 3.81Å; P178-W230 HydrophobicContact CG-CZ2 3.79Å; F182-W230 HydrophobicContact CE2-CH2 4.03Å; F182-W230 HydrophobicContact CE2-CZ2 4.49Å; F182-W230 HydrophobicContact CE2-CZ3 4.34Å; F182-W230 HydrophobicContact CZ-CE3 4.35Å; F182-W230 HydrophobicContact CZ-CH2 4.04Å; F182-W230 AromaticContact CZ-CZ3 3.86Å; F182-W230 HydrophobicContact CZ-CZ3 3.86Å; F196-W230 HydrophobicContact CE1-CH2 4.2Å; F196-W230 AromaticContact CE1-CZ3 3.97Å; F196-W230 HydrophobicContact CE1-CZ3 3.97Å; L201-W230 HydrophobicContact CD1-CZ2 4.17Å; L201-W230 HydrophobicContact CG-CZ2 4.44Å; F226-W230 WeakPolarHBondContact O-CB 3.34Å; F226-W230 PolarHBondContact O-N 3.12Å; V227-W230 HydrophobicContact CG1-CE3 4.15Å; V227-W230 HydrophobicContact CG1-CZ3 4.39Å; V227-W230 WeakPolarHBondContact O-CB 3.49Å; V227-W230 PolarHBondContact O-N 2.94Å; V227-W230 VanDerWaalsContact O-N 3.16Å; E228-W230 VanDerWaalsContact C-N 3.32Å; E228-W230 PolarHBondContact O-N 3.49Å; W230-L233 PolarHBondContact O-N 3.32Å; W230-G234 PolarHBondContact O-N 3.43Å |
| 231 | I | 93.9 | Very high | 89.2 | Confident | 3 Ų | 3 | 47.5 Ų | 47.5 | 2% | 0.015 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60 | -50.3 | 174.6 | -68 | 171.4 | 0 | 0 | 0 | 110.1 | I99 T200 V227 E228 V229 L233 G234 L235 | I99-I231 HydrophobicContact CD1-CG2 3.57Å; T200-I231 HydrophobicContact CG2-CD1 3.68Å; T200-I231 HydrophobicContact CG2-CG1 3.71Å; T200-I231 HydrophobicContact CG2-CG2 4.3Å; V227-I231 HydrophobicContact CG1-CD1 4.11Å; V227-I231 WeakPolarHBondContact O-CG1 3.37Å; V227-I231 PolarHBondContact O-N 3.35Å; E228-I231 WeakPolarHBondContact O-CB 3.45Å; E228-I231 PolarHBondContact O-N 2.88Å; V229-I231 VanDerWaalsContact C-N 3.33Å; V229-I231 PolarHBondContact O-N 2.88Å; I231-L233 VanDerWaalsContact C-N 3.34Å; I231-L233 PolarHBondContact O-N 3.17Å; I231-G234 PolarHBondContact O-N 3.39Å; I231-G234 VanDerWaalsContact O-N 3.12Å; I231-L235 HydrophobicContact CG2-CD1 3.97Å; I231-L235 HydrophobicContact CG2-CG 4.25Å; I231-L235 WeakPolarHBondContact O-CG 3.44Å; I231-L235 PolarHBondContact O-N 3.02Å |
| 232 | Y | 91.9 | Very high | 89.3 | Confident | 51 Ų | 51 | 46.4 Ų | 46.4 | 20% | 0.2 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.6 | -41.9 | 179.1 | -66.1 | -44.8 | 0 | 0 | 0 | 113.1 | A93 T97 W129 E228 V229 G234 L235 A236 | A93-Y232 WeakPolarHBondContact CB-OH 3.44Å; T97-Y232 HydrophobicContact CG2-CD1 4.19Å; T97-Y232 HydrophobicContact CG2-CE1 3.65Å; W129-Y232 AromaticContact CH2-CD1 3.98Å; W129-Y232 HydrophobicContact CH2-CD1 3.98Å; W129-Y232 HydrophobicContact CH2-CD2 4.16Å; W129-Y232 HydrophobicContact CH2-CE1 4.41Å; W129-Y232 AromaticContact CH2-CG 3.86Å; W129-Y232 HydrophobicContact CH2-CG 3.86Å; W129-Y232 AromaticContact CZ3-CD1 3.71Å; W129-Y232 HydrophobicContact CZ3-CD1 3.71Å; W129-Y232 HydrophobicContact CZ3-CE1 4.04Å; W129-Y232 HydrophobicContact CZ3-CG 4.09Å; E228-Y232 HydrophobicContact CG-CD2 4.33Å; E228-Y232 HydrophobicContact CG-CE2 3.62Å; E228-Y232 WeakPolarHBondContact O-CD2 3.26Å; E228-Y232 PolarHBondContact O-N 2.95Å; E228-Y232 PolarHBondContact OE1-OH 3Å; V229-Y232 PolarHBondContact O-N 3.49Å; Y232-G234 VanDerWaalsContact C-N 3.31Å; Y232-G234 PolarHBondContact O-N 2.85Å; Y232-L235 PolarHBondContact O-N 3.45Å; Y232-A236 WeakPolarHBondContact O-CB 3.43Å; Y232-A236 PolarHBondContact O-N 2.86Å |
| 233 | L | 91.8 | Very high | 89 | Confident | 78 Ų | 78 | 45.3 Ų | 45.3 | 41% | 0.408 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -63.7 | -39.2 | 175.7 | -69.1 | 175.5 | 0 | 0 | 0 | 111.6 | F137 V229 W230 I231 A236 W237 | F137-L233 HydrophobicContact CE2-CD2 4.1Å; F137-L233 HydrophobicContact CZ-CD2 3.62Å; V229-L233 HydrophobicContact CG1-CD1 3.98Å; V229-L233 HydrophobicContact CG1-CG 4.36Å; V229-L233 VanDerWaalsContact O-CG 3.29Å; V229-L233 WeakPolarHBondContact O-CG 3.42Å; V229-L233 PolarHBondContact O-N 3.05Å; W230-L233 PolarHBondContact O-N 3.32Å; I231-L233 VanDerWaalsContact C-N 3.34Å; I231-L233 PolarHBondContact O-N 3.17Å; L233-A236 PolarHBondContact O-N 3.35Å; L233-W237 WeakPolarHBondContact O-CB 3.35Å; L233-W237 PolarHBondContact O-N 3.45Å |
| 234 | G | 92.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -67.9 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | H174 W230 I231 Y232 W237 L238 | H174-G234 WeakPolarHBondContact CD2-CA 3.43Å; H174-G234 PolarHBondContact CD2-N 3.08Å; H174-G234 WeakPolarHBondContact NE2-CA 3.43Å; H174-G234 PolarHBondContact NE2-N 3.49Å; W230-G234 PolarHBondContact O-N 3.43Å; I231-G234 PolarHBondContact O-N 3.39Å; I231-G234 VanDerWaalsContact O-N 3.12Å; Y232-G234 VanDerWaalsContact C-N 3.31Å; Y232-G234 PolarHBondContact O-N 2.85Å; G234-W237 PolarHBondContact O-N 3.27Å; G234-L238 WeakPolarHBondContact O-CB 3.49Å; G234-L238 PolarHBondContact O-N 2.98Å |
| 235 | L | 91.4 | Very high | 88.5 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -41.3 | 174 | -68.3 | 177.7 | 0 | 0 | 0 | 111.5 | T97 I99 I130 L201 T203 I231 Y232 W237 L238 S239 | T97-L235 HydrophobicContact CG2-CD1 3.85Å; I99-L235 HydrophobicContact CD1-CD1 4.45Å; I130-L235 HydrophobicContact CD1-CB 4.18Å; I130-L235 HydrophobicContact CD1-CD1 4.13Å; I130-L235 HydrophobicContact CG2-CB 4.48Å; L201-L235 WeakPolarHBondContact O-CD2 3.42Å; T203-L235 HydrophobicContact CG2-CD2 3.54Å; I231-L235 HydrophobicContact CG2-CD1 3.97Å; I231-L235 HydrophobicContact CG2-CG 4.25Å; I231-L235 WeakPolarHBondContact O-CG 3.44Å; I231-L235 PolarHBondContact O-N 3.02Å; Y232-L235 PolarHBondContact O-N 3.45Å; L235-W237 VanDerWaalsContact C-N 3.34Å; L235-W237 PolarHBondContact O-N 3.19Å; L235-L238 PolarHBondContact O-N 2.74Å; L235-S239 PolarHBondContact O-N 2.65Å |
| 236 | A | 89.4 | Confident | 88.3 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.2 | -42.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L133 F137 Y232 L233 S239 L240 | L133-A236 HydrophobicContact CB-CB 3.79Å; L133-A236 HydrophobicContact CD1-CB 4.42Å; F137-A236 HydrophobicContact CD2-CB 4.09Å; F137-A236 HydrophobicContact CE2-CB 4.02Å; Y232-A236 WeakPolarHBondContact O-CB 3.43Å; Y232-A236 PolarHBondContact O-N 2.86Å; L233-A236 PolarHBondContact O-N 3.35Å; A236-S239 PolarHBondContact O-N 3.25Å; A236-S239 PolarHBondContact O-OG 3.42Å; A236-L240 PolarHBondContact O-N 2.88Å |
| 237 | W | 89.5 | Confident | 87.8 | Confident | 19 Ų | 19 | 50.8 Ų | 50.8 | 7% | 0.072 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.4 | -41 | 173.6 | 171 | 82.3 | 0 | 0 | 0 | 112.5 | F166 L167 V171 L233 G234 L235 S239 L240 F241 | F166-W237 AromaticContact CE1-CD1 3.89Å; L167-W237 HydrophobicContact CD2-CZ2 4.4Å; L167-W237 WeakPolarHBondContact O-CZ2 3.37Å; V171-W237 HydrophobicContact CG2-CH2 3.72Å; V171-W237 HydrophobicContact CG2-CZ2 3.73Å; L233-W237 WeakPolarHBondContact O-CB 3.35Å; L233-W237 PolarHBondContact O-N 3.45Å; G234-W237 PolarHBondContact O-N 3.27Å; L235-W237 VanDerWaalsContact C-N 3.34Å; L235-W237 PolarHBondContact O-N 3.19Å; W237-S239 VanDerWaalsContact C-N 3.31Å; W237-S239 PolarHBondContact O-N 3.42Å; W237-L240 VanDerWaalsContact O-CB 3.32Å; W237-L240 WeakPolarHBondContact O-CB 3.41Å; W237-L240 PolarHBondContact O-N 3.49Å; W237-L240 VanDerWaalsContact O-N 3.13Å; W237-F241 PolarHBondContact O-N 2.92Å; W237-F241 VanDerWaalsContact O-N 3.08Å |
| 238 | L | 88.4 | Confident | 87.3 | Confident | 25 Ų | 25 | 53.6 Ų | 53.6 | 13% | 0.131 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.1 | -36.7 | 178.6 | -165.4 | 72.4 | 0 | 0 | 0 | 111.6 | L201 G234 L235 L240 F241 F242 | L201-L238 WeakPolarHBondContact O-CD2 3.26Å; G234-L238 WeakPolarHBondContact O-CB 3.49Å; G234-L238 PolarHBondContact O-N 2.98Å; L235-L238 PolarHBondContact O-N 2.74Å; L238-L240 VanDerWaalsContact C-N 3.25Å; L238-L240 PolarHBondContact O-N 3.28Å; L238-F241 HydrophobicContact CD1-CD1 4.34Å; L238-F241 WeakPolarHBondContact O-CB 3.26Å; L238-F241 PolarHBondContact O-N 3.09Å; L238-F241 VanDerWaalsContact O-N 3.11Å; L238-F242 HydrophobicContact CD1-CE2 4.41Å; L238-F242 HydrophobicContact CD2-CE2 3.64Å; L238-F242 HydrophobicContact CD2-CZ 4.24Å; L238-F242 HydrophobicContact CG-CD2 4.06Å; L238-F242 HydrophobicContact CG-CE2 3.59Å; L238-F242 HydrophobicContact CG-CZ 4.3Å; L238-F242 VanDerWaalsContact O-CD2 3.26Å; L238-F242 WeakPolarHBondContact O-CD2 3.37Å; L238-F242 PolarHBondContact O-N 2.87Å |
| 239 | S | 85.5 | Confident | 87.1 | Confident | 18 Ų | 18 | 56.3 Ų | 56.3 | 13% | 0.126 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59.3 | -37.3 | 173.8 | 85.2 | 0 | 0 | 0 | 0 | 112 | I130 G134 L235 A236 W237 N243 | I130-S239 PolarHBondContact O-OG 3.45Å; G134-S239 WeakPolarHBondContact CA-OG 3.35Å; L235-S239 PolarHBondContact O-N 2.65Å; A236-S239 PolarHBondContact O-N 3.25Å; A236-S239 PolarHBondContact O-OG 3.42Å; W237-S239 VanDerWaalsContact C-N 3.31Å; W237-S239 PolarHBondContact O-N 3.42Å; S239-N243 WeakPolarHBondContact O-CB 3.25Å; S239-N243 PolarHBondContact O-N 3.2Å; S239-N243 VanDerWaalsContact O-N 3.08Å; S239-N243 PolarHBondContact O-ND2 3.08Å |
| 240 | L | 82.3 | Confident | 86.9 | Confident | 27 Ų | 27 | 56.6 Ų | 56.6 | 14% | 0.141 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.4 | -42.1 | 174.3 | -82.6 | 176 | 0 | 0 | 0 | 112 | G134 F137 F166 A236 W237 L238 N243 W244 | G134-L240 WeakPolarHBondContact O-CD1 3.25Å; G134-L240 WeakPolarHBondContact O-CD2 3.36Å; G134-L240 VanDerWaalsContact O-CG 3.23Å; G134-L240 WeakPolarHBondContact O-CG 3.45Å; F137-L240 HydrophobicContact CB-CD1 3.64Å; F166-L240 HydrophobicContact CD1-CD1 4.44Å; F166-L240 HydrophobicContact CE1-CD1 3.59Å; F166-L240 HydrophobicContact CZ-CD1 4.28Å; A236-L240 PolarHBondContact O-N 2.88Å; W237-L240 VanDerWaalsContact O-CB 3.32Å; W237-L240 WeakPolarHBondContact O-CB 3.41Å; W237-L240 PolarHBondContact O-N 3.49Å; W237-L240 VanDerWaalsContact O-N 3.13Å; L238-L240 VanDerWaalsContact C-N 3.25Å; L238-L240 PolarHBondContact O-N 3.28Å; L240-N243 PolarHBondContact O-N 2.99Å; L240-W244 WeakPolarHBondContact O-CB 3.44Å; L240-W244 PolarHBondContact O-N 3.36Å |
| 241 | F | 84 | Confident | 86.5 | Confident | 71 Ų | 71 | 61.2 Ų | 61.2 | 31% | 0.311 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -59.1 | -45.7 | 175.7 | 172.9 | -100.6 | 0 | 0 | 0 | 111.5 | L167 W237 L238 W244 K245 | L167-F241 HydrophobicContact CD1-CD2 4.31Å; L167-F241 HydrophobicContact CD2-CB 3.95Å; L167-F241 HydrophobicContact CD2-CD2 4.12Å; W237-F241 PolarHBondContact O-N 2.92Å; W237-F241 VanDerWaalsContact O-N 3.08Å; L238-F241 HydrophobicContact CD1-CD1 4.34Å; L238-F241 WeakPolarHBondContact O-CB 3.26Å; L238-F241 PolarHBondContact O-N 3.09Å; L238-F241 VanDerWaalsContact O-N 3.11Å; F241-W244 PolarHBondContact O-N 3.24Å; F241-K245 WeakPolarHBondContact O-CB 3.36Å; F241-K245 PolarHBondContact O-N 3.35Å |
| 242 | F | 82.1 | Confident | 86.1 | Confident | 105 Ų | 105 | 63.1 Ų | 63.1 | 46% | 0.461 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 176.4 | -74.2 | -57.7 | 0 | 0 | 0 | 112.4 | L238 W244 K245 V246 | L238-F242 HydrophobicContact CD1-CE2 4.41Å; L238-F242 HydrophobicContact CD2-CE2 3.64Å; L238-F242 HydrophobicContact CD2-CZ 4.24Å; L238-F242 HydrophobicContact CG-CD2 4.06Å; L238-F242 HydrophobicContact CG-CE2 3.59Å; L238-F242 HydrophobicContact CG-CZ 4.3Å; L238-F242 VanDerWaalsContact O-CD2 3.26Å; L238-F242 WeakPolarHBondContact O-CD2 3.37Å; L238-F242 PolarHBondContact O-N 2.87Å; F242-W244 VanDerWaalsContact C-N 3.28Å; F242-W244 PolarHBondContact O-N 3.45Å; F242-K245 PolarHBondContact O-N 3.32Å; F242-V246 WeakPolarHBondContact O-CG2 3.38Å; F242-V246 PolarHBondContact O-N 3.05Å |
| 243 | N | 79.6 | Confident | 85.9 | Confident | 76 Ų | 76 | 65.5 Ų | 65.5 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.9 | -40.3 | 175.9 | -82 | -57.4 | 0 | 0 | 0 | 112.3 | S239 L240 R247 | S239-N243 WeakPolarHBondContact O-CB 3.25Å; S239-N243 PolarHBondContact O-N 3.2Å; S239-N243 VanDerWaalsContact O-N 3.08Å; S239-N243 PolarHBondContact O-ND2 3.08Å; L240-N243 PolarHBondContact O-N 2.99Å; N243-R247 WeakPolarHBondContact O-CG 3.25Å; N243-R247 PolarHBondContact O-N 3.1Å |
| 244 | W | 82.4 | Confident | 85.8 | Confident | 61 Ų | 61 | 68.6 Ų | 68.6 | 23% | 0.231 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -70 | -45.2 | 176.5 | -178.4 | 84.9 | 0 | 0 | 0 | 112.2 | F160 L167 L240 F241 F242 V246 R247 M248 | F160-W244 AromaticContact CE2-CZ2 3.83Å; F160-W244 HydrophobicContact CE2-CZ2 3.83Å; F160-W244 AromaticContact CZ-CZ2 3.9Å; F160-W244 HydrophobicContact CZ-CZ2 3.9Å; L167-W244 HydrophobicContact CD1-CB 4.43Å; L167-W244 HydrophobicContact CD1-CD2 3.57Å; L167-W244 HydrophobicContact CD1-CE3 3.51Å; L167-W244 HydrophobicContact CD1-CG 3.99Å; L167-W244 HydrophobicContact CD1-CH2 4.38Å; L167-W244 HydrophobicContact CD1-CZ2 4.44Å; L167-W244 HydrophobicContact CD1-CZ3 3.94Å; L240-W244 WeakPolarHBondContact O-CB 3.44Å; L240-W244 PolarHBondContact O-N 3.36Å; F241-W244 PolarHBondContact O-N 3.24Å; F242-W244 VanDerWaalsContact C-N 3.28Å; F242-W244 PolarHBondContact O-N 3.45Å; W244-V246 VanDerWaalsContact C-N 3.33Å; W244-V246 PolarHBondContact O-N 3.02Å; W244-R247 PolarHBondContact O-N 2.97Å; W244-M248 HydrophobicContact CH2-CG 4.43Å; W244-M248 HydrophobicContact CH2-SD 3.41Å; W244-M248 WeakPolarHBondContact CH2-SD 3.31Å; W244-M248 HydrophobicContact CZ2-CG 4.48Å; W244-M248 HydrophobicContact CZ2-SD 3.97Å; W244-M248 HydrophobicContact CZ3-SD 3.78Å; W244-M248 WeakPolarHBondContact O-CB 3.18Å; W244-M248 PolarHBondContact O-N 2.91Å |
| 245 | K | 83.3 | Confident | 85.6 | Confident | 101 Ų | 101 | 70.7 Ų | 70.7 | 44% | 0.439 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -55.1 | -48 | 176.4 | 176.7 | -170.9 | 170.2 | -175.5 | 0 | 111 | F241 F242 R247 M248 V249 | F241-K245 WeakPolarHBondContact O-CB 3.36Å; F241-K245 PolarHBondContact O-N 3.35Å; F242-K245 PolarHBondContact O-N 3.32Å; K245-R247 PolarHBondContact O-N 3.32Å; K245-M248 PolarHBondContact O-N 3.43Å; K245-V249 HydrophobicContact CG-CG2 4.32Å; K245-V249 WeakPolarHBondContact O-CB 3.43Å; K245-V249 VanDerWaalsContact O-CG2 3.26Å; K245-V249 WeakPolarHBondContact O-CG2 3.41Å; K245-V249 PolarHBondContact O-N 3.11Å |
| 246 | V | 84.4 | Confident | 85.4 | Confident | 85 Ų | 85 | 74.2 Ų | 74.2 | 52% | 0.515 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -58.6 | -47.7 | 178.5 | 171.8 | 0 | 0 | 0 | 0 | 110.6 | F242 W244 M248 V249 I250 | F242-V246 WeakPolarHBondContact O-CG2 3.38Å; F242-V246 PolarHBondContact O-N 3.05Å; W244-V246 VanDerWaalsContact C-N 3.33Å; W244-V246 PolarHBondContact O-N 3.02Å; V246-M248 PolarHBondContact O-N 3.14Å; V246-V249 PolarHBondContact O-N 2.8Å; V246-I250 HydrophobicContact CG1-CD1 3.86Å; V246-I250 WeakPolarHBondContact O-CD1 3.44Å; V246-I250 VanDerWaalsContact O-CG1 3.25Å; V246-I250 WeakPolarHBondContact O-CG1 3.36Å; V246-I250 PolarHBondContact O-N 3.12Å; V246-I250 VanDerWaalsContact O-N 3.08Å |
| 247 | R | 80.9 | Confident | 85.5 | Confident | 183 Ų | 183 | 80 Ų | 80 | 69% | 0.691 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -61.2 | -45.5 | 176.9 | -70 | 175.8 | -173.7 | -93.3 | -1.9 | 112 | N243 W244 K245 I250 E251 | N243-R247 WeakPolarHBondContact O-CG 3.25Å; N243-R247 PolarHBondContact O-N 3.1Å; W244-R247 PolarHBondContact O-N 2.97Å; K245-R247 PolarHBondContact O-N 3.32Å; R247-I250 PolarHBondContact O-N 2.79Å; R247-E251 WeakPolarHBondContact O-CB 3.41Å; R247-E251 PolarHBondContact O-N 3.06Å |
| 248 | M | 82.9 | Confident | 85.6 | Confident | 76 Ų | 76 | 86 Ų | 86 | 37% | 0.374 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | -179.8 | -168 | -164.1 | 74.7 | 0 | 0 | 111.6 | W244 K245 V246 I250 E251 A252 | W244-M248 HydrophobicContact CH2-CG 4.43Å; W244-M248 HydrophobicContact CH2-SD 3.41Å; W244-M248 WeakPolarHBondContact CH2-SD 3.31Å; W244-M248 HydrophobicContact CZ2-CG 4.48Å; W244-M248 HydrophobicContact CZ2-SD 3.97Å; W244-M248 HydrophobicContact CZ3-SD 3.78Å; W244-M248 WeakPolarHBondContact O-CB 3.18Å; W244-M248 PolarHBondContact O-N 2.91Å; K245-M248 PolarHBondContact O-N 3.43Å; V246-M248 PolarHBondContact O-N 3.14Å; M248-I250 VanDerWaalsContact C-N 3.34Å; M248-I250 PolarHBondContact O-N 2.82Å; M248-E251 PolarHBondContact O-N 3.48Å; M248-A252 WeakPolarHBondContact O-CB 3.45Å; M248-A252 PolarHBondContact O-N 3.48Å |
| 249 | V | 86.6 | Confident | 85.6 | Confident | 79 Ų | 79 | 92.7 Ų | 92.7 | 48% | 0.479 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 177.3 | 169.7 | 0 | 0 | 0 | 0 | 110.7 | K245 V246 H253 | K245-V249 HydrophobicContact CG-CG2 4.32Å; K245-V249 WeakPolarHBondContact O-CB 3.43Å; K245-V249 VanDerWaalsContact O-CG2 3.26Å; K245-V249 WeakPolarHBondContact O-CG2 3.41Å; K245-V249 PolarHBondContact O-N 3.11Å; V246-V249 PolarHBondContact O-N 2.8Å; V249-H253 VanDerWaalsContact O-CB 3.23Å; V249-H253 WeakPolarHBondContact O-CB 3.23Å; V249-H253 PolarHBondContact O-N 3.33Å |
| 250 | I | 86.5 | Confident | 85.8 | Confident | 85 Ų | 85 | 99.9 Ų | 99.9 | 44% | 0.436 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 176.6 | -67.2 | 165.5 | 0 | 0 | 0 | 110.7 | V246 R247 M248 H253 K254 | V246-I250 HydrophobicContact CG1-CD1 3.86Å; V246-I250 WeakPolarHBondContact O-CD1 3.44Å; V246-I250 VanDerWaalsContact O-CG1 3.25Å; V246-I250 WeakPolarHBondContact O-CG1 3.36Å; V246-I250 PolarHBondContact O-N 3.12Å; V246-I250 VanDerWaalsContact O-N 3.08Å; R247-I250 PolarHBondContact O-N 2.79Å; M248-I250 VanDerWaalsContact C-N 3.34Å; M248-I250 PolarHBondContact O-N 2.82Å; I250-H253 PolarHBondContact O-N 2.88Å; I250-K254 HydrophobicContact CG2-CD 4.22Å; I250-K254 WeakPolarHBondContact O-CG 3.25Å; I250-K254 PolarHBondContact O-N 3.01Å |
| 251 | E | 86.4 | Confident | 86.1 | Confident | 132 Ų | 132 | 104.8 Ų | 104.8 | 62% | 0.617 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -66.3 | -44.5 | 179.8 | -172.3 | 168.9 | -170.6 | 0 | 0 | 112 | R247 M248 H253 K254 A255 | R247-E251 WeakPolarHBondContact O-CB 3.41Å; R247-E251 PolarHBondContact O-N 3.06Å; M248-E251 PolarHBondContact O-N 3.48Å; E251-H253 VanDerWaalsContact C-N 3.34Å; E251-H253 PolarHBondContact O-N 3.3Å; E251-K254 PolarHBondContact O-N 3.06Å; E251-A255 WeakPolarHBondContact O-CB 3.38Å; E251-A255 PolarHBondContact O-N 2.94Å |
| 252 | A | 86.3 | Confident | 86.3 | Confident | 44 Ų | 44 | 106.2 Ų | 106.2 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | M248 K254 A255 L256 | M248-A252 WeakPolarHBondContact O-CB 3.45Å; M248-A252 PolarHBondContact O-N 3.48Å; A252-K254 PolarHBondContact O-N 3.18Å; A252-A255 PolarHBondContact O-N 3.39Å; A252-L256 WeakPolarHBondContact O-CB 3.34Å; A252-L256 VanDerWaalsContact O-CG 3.25Å; A252-L256 WeakPolarHBondContact O-CG 3.33Å; A252-L256 PolarHBondContact O-N 2.92Å |
| 253 | H | 86.6 | Confident | 86.5 | Confident | 100 Ų | 100 | 110 Ų | 110 | 46% | 0.463 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 176.5 | -175 | -105.9 | 0 | 0 | 0 | 112 | V249 I250 E251 L256 K257 | V249-H253 VanDerWaalsContact O-CB 3.23Å; V249-H253 WeakPolarHBondContact O-CB 3.23Å; V249-H253 PolarHBondContact O-N 3.33Å; I250-H253 PolarHBondContact O-N 2.88Å; E251-H253 VanDerWaalsContact C-N 3.34Å; E251-H253 PolarHBondContact O-N 3.3Å; H253-L256 PolarHBondContact O-N 3.45Å; H253-K257 WeakPolarHBondContact O-CB 3.37Å; H253-K257 PolarHBondContact O-N 2.84Å |
| 254 | K | 89.7 | Confident | 86.9 | Confident | 143 Ų | 143 | 113.8 Ų | 113.8 | 62% | 0.622 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.1 | -44.6 | 173.1 | -74.7 | 175.2 | -178.5 | 179.1 | 0 | 111.4 | I250 E251 A252 K257 K258 | I250-K254 HydrophobicContact CG2-CD 4.22Å; I250-K254 WeakPolarHBondContact O-CG 3.25Å; I250-K254 PolarHBondContact O-N 3.01Å; E251-K254 PolarHBondContact O-N 3.06Å; A252-K254 PolarHBondContact O-N 3.18Å; K254-K257 PolarHBondContact O-N 3.5Å; K254-K258 PolarHBondContact O-N 3.46Å |
| 255 | A | 89.3 | Confident | 87.2 | Confident | 44 Ų | 44 | 115.9 Ų | 115.9 | 36% | 0.364 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E251 A252 K258 R259 | E251-A255 WeakPolarHBondContact O-CB 3.38Å; E251-A255 PolarHBondContact O-N 2.94Å; A252-A255 PolarHBondContact O-N 3.39Å; A255-K258 PolarHBondContact O-N 2.82Å; A255-R259 WeakPolarHBondContact O-CG 3.35Å; A255-R259 PolarHBondContact O-N 3.48Å |
| 256 | L | 88.1 | Confident | 87.3 | Confident | 84 Ų | 84 | 114 Ų | 114 | 44% | 0.44 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 174.6 | -72.8 | 173.1 | 0 | 0 | 0 | 111.5 | A252 H253 K258 R259 R260 | A252-L256 WeakPolarHBondContact O-CB 3.34Å; A252-L256 VanDerWaalsContact O-CG 3.25Å; A252-L256 WeakPolarHBondContact O-CG 3.33Å; A252-L256 PolarHBondContact O-N 2.92Å; H253-L256 PolarHBondContact O-N 3.45Å; L256-K258 VanDerWaalsContact C-N 3.34Å; L256-K258 PolarHBondContact O-N 3.45Å; L256-R259 PolarHBondContact O-N 3.24Å; L256-R260 WeakPolarHBondContact O-CB 3.48Å; L256-R260 VanDerWaalsContact O-CG 3.3Å; L256-R260 WeakPolarHBondContact O-CG 3.21Å; L256-R260 PolarHBondContact O-N 2.92Å |
| 257 | K | 90.3 | Very high | 87.4 | Confident | 122 Ų | 122 | 114.5 Ų | 114.5 | 53% | 0.53 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61 | -42.6 | 174.8 | -170.8 | 176.2 | -177.1 | 179 | 0 | 111.2 | H253 K254 R260 K261 | H253-K257 WeakPolarHBondContact O-CB 3.37Å; H253-K257 PolarHBondContact O-N 2.84Å; K254-K257 PolarHBondContact O-N 3.5Å; K257-R260 PolarHBondContact O-N 2.86Å; K257-K261 WeakPolarHBondContact O-CG 3.44Å; K257-K261 PolarHBondContact O-N 3.28Å |
| 258 | K | 91.8 | Very high | 87.7 | Confident | 146 Ų | 146 | 110.9 Ų | 110.9 | 64% | 0.635 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -62.4 | -47.5 | 175.1 | -173.6 | 178.6 | 179.6 | 179.7 | 0 | 111.7 | K254 A255 L256 R260 K261 L262 | K254-K258 PolarHBondContact O-N 3.46Å; A255-K258 PolarHBondContact O-N 2.82Å; L256-K258 VanDerWaalsContact C-N 3.34Å; L256-K258 PolarHBondContact O-N 3.45Å; K258-R260 VanDerWaalsContact C-N 3.34Å; K258-R260 PolarHBondContact O-N 3.39Å; K258-K261 PolarHBondContact O-N 3.05Å; K258-L262 HydrophobicContact CG-CD1 4.22Å; K258-L262 PolarHBondContact O-N 2.81Å |
| 259 | R | 89.2 | Confident | 87.8 | Confident | 164 Ų | 164 | 114.2 Ų | 114.2 | 62% | 0.619 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -60.9 | -40.6 | 176.3 | -73.1 | 178.7 | -179 | -175.8 | 0.9 | 112.1 | A255 L256 L262 R263 | A255-R259 WeakPolarHBondContact O-CG 3.35Å; A255-R259 PolarHBondContact O-N 3.48Å; L256-R259 PolarHBondContact O-N 3.24Å; R259-L262 PolarHBondContact O-N 3.02Å; R259-R263 WeakPolarHBondContact O-CG 3.3Å; R259-R263 PolarHBondContact O-N 3.32Å |
| 260 | R | 88.8 | Confident | 87.4 | Confident | 169 Ų | 169 | 116.8 Ų | 116.8 | 64% | 0.638 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.9 | -41.6 | 175.6 | -74.1 | 176.9 | -173.7 | 179.9 | 2.3 | 112.1 | L256 K257 K258 R263 K264 | L256-R260 WeakPolarHBondContact O-CB 3.48Å; L256-R260 VanDerWaalsContact O-CG 3.3Å; L256-R260 WeakPolarHBondContact O-CG 3.21Å; L256-R260 PolarHBondContact O-N 2.92Å; K257-R260 PolarHBondContact O-N 2.86Å; K258-R260 VanDerWaalsContact C-N 3.34Å; K258-R260 PolarHBondContact O-N 3.39Å; R260-R263 PolarHBondContact O-N 2.86Å; R260-K264 WeakPolarHBondContact O-CG 3.21Å; R260-K264 PolarHBondContact O-N 3.36Å; R260-K264 VanDerWaalsContact O-N 3.13Å |
| 261 | K | 89.2 | Confident | 87.1 | Confident | 130 Ų | 130 | 120 Ų | 120 | 57% | 0.565 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -62.5 | -46 | 175 | -74.5 | -175.1 | 175.8 | -166.5 | 0 | 111.9 | K257 K258 R263 K264 L265 | K257-K261 WeakPolarHBondContact O-CG 3.44Å; K257-K261 PolarHBondContact O-N 3.28Å; K258-K261 PolarHBondContact O-N 3.05Å; K261-R263 PolarHBondContact O-N 3.33Å; K261-K264 PolarHBondContact O-N 3.31Å; K261-K264 VanDerWaalsContact O-N 3.16Å; K261-L265 PolarHBondContact O-N 2.9Å |
| 262 | L | 86.9 | Confident | 86.9 | Confident | 101 Ų | 101 | 119.5 Ų | 119.5 | 53% | 0.529 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -59.5 | -43.4 | 177 | -77 | 161.8 | 0 | 0 | 0 | 112.2 | K258 R259 K264 L265 S266 | K258-L262 HydrophobicContact CG-CD1 4.22Å; K258-L262 PolarHBondContact O-N 2.81Å; R259-L262 PolarHBondContact O-N 3.02Å; L262-K264 VanDerWaalsContact C-N 3.31Å; L262-K264 PolarHBondContact O-N 2.91Å; L262-L265 PolarHBondContact O-N 2.8Å; L262-S266 PolarHBondContact O-N 3.31Å; L262-S266 PolarHBondContact O-OG 3.47Å |
| 263 | R | 87.6 | Confident | 86.4 | Confident | 185 Ų | 185 | 124.5 Ų | 124.5 | 70% | 0.698 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -63.6 | -33.1 | 175.7 | -72.4 | -179.3 | -171.8 | 176.9 | 0.5 | 113.5 | R259 R260 K261 S266 L267 | R259-R263 WeakPolarHBondContact O-CG 3.3Å; R259-R263 PolarHBondContact O-N 3.32Å; R260-R263 PolarHBondContact O-N 2.86Å; K261-R263 PolarHBondContact O-N 3.33Å; R263-S266 WeakPolarHBondContact CA-OG 3.41Å; R263-S266 PolarHBondContact O-OG 3.44Å; R263-L267 WeakPolarHBondContact O-CB 3.39Å; R263-L267 PolarHBondContact O-N 3.44Å |
| 264 | K | 88.1 | Confident | 86 | Confident | 156 Ų | 156 | 127.5 Ų | 127.5 | 68% | 0.678 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.2 | -46.3 | 175.6 | -74.4 | -173.4 | 176.7 | -165.2 | 0 | 111.1 | R260 K261 L262 S266 L267 E268 | R260-K264 WeakPolarHBondContact O-CG 3.21Å; R260-K264 PolarHBondContact O-N 3.36Å; R260-K264 VanDerWaalsContact O-N 3.13Å; K261-K264 PolarHBondContact O-N 3.31Å; K261-K264 VanDerWaalsContact O-N 3.16Å; L262-K264 VanDerWaalsContact C-N 3.31Å; L262-K264 PolarHBondContact O-N 2.91Å; K264-S266 PolarHBondContact O-N 3.31Å; K264-L267 WeakPolarHBondContact O-CB 3.48Å; K264-L267 PolarHBondContact O-N 2.94Å; K264-E268 WeakPolarHBondContact O-CB 3.43Å; K264-E268 PolarHBondContact O-N 2.76Å |
| 265 | L | 87.7 | Confident | 85.5 | Confident | 105 Ų | 105 | 126.5 Ų | 126.5 | 55% | 0.55 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.3 | -45.6 | 177.2 | -71.3 | 169 | 0 | 0 | 0 | 111.8 | K261 L262 L267 E268 E269 | K261-L265 PolarHBondContact O-N 2.9Å; L262-L265 PolarHBondContact O-N 2.8Å; L265-L267 VanDerWaalsContact C-N 3.28Å; L265-L267 PolarHBondContact O-N 3.4Å; L265-E268 PolarHBondContact O-N 2.88Å; L265-E269 PolarHBondContact O-N 3.21Å |
| 266 | S | 85.5 | Confident | 84.8 | Confident | 61 Ų | 61 | 127.6 Ų | 127.6 | 43% | 0.427 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.3 | -33.7 | 177.3 | 63.9 | 0 | 0 | 0 | 0 | 113 | L262 R263 K264 M270 | L262-S266 PolarHBondContact O-N 3.31Å; L262-S266 PolarHBondContact O-OG 3.47Å; R263-S266 WeakPolarHBondContact CA-OG 3.41Å; R263-S266 PolarHBondContact O-OG 3.44Å; K264-S266 PolarHBondContact O-N 3.31Å; S266-M270 WeakPolarHBondContact O-CB 3.5Å; S266-M270 VanDerWaalsContact O-CG 3.3Å; S266-M270 WeakPolarHBondContact O-CG 3.47Å; S266-M270 PolarHBondContact O-N 3.35Å; S266-M270 VanDerWaalsContact O-N 3.1Å |
| 267 | L | 87.1 | Confident | 83.7 | Confident | 96 Ų | 96 | 128.4 Ų | 128.4 | 50% | 0.503 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -70 | -37.5 | 176.6 | -163.8 | 98.6 | 0 | 0 | 0 | 111.5 | R263 K264 L265 R271 | R263-L267 WeakPolarHBondContact O-CB 3.39Å; R263-L267 PolarHBondContact O-N 3.44Å; K264-L267 WeakPolarHBondContact O-CB 3.48Å; K264-L267 PolarHBondContact O-N 2.94Å; L265-L267 VanDerWaalsContact C-N 3.28Å; L265-L267 PolarHBondContact O-N 3.4Å; L267-R271 WeakPolarHBondContact O-CG 3.17Å; L267-R271 PolarHBondContact O-N 3.41Å |
| 268 | E | 86.4 | Confident | 82.5 | Confident | 107 Ų | 107 | 130.5 Ų | 130.5 | 50% | 0.5 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -70.5 | -40.9 | 178.8 | -158.9 | 158.3 | -141.5 | 0 | 0 | 111.3 | K264 L265 R271 H272 | K264-E268 WeakPolarHBondContact O-CB 3.43Å; K264-E268 PolarHBondContact O-N 2.76Å; L265-E268 PolarHBondContact O-N 2.88Å; E268-R271 WeakPolarHBondContact O-CB 3.46Å; E268-R271 PolarHBondContact O-N 3.12Å; E268-H272 PolarHBondContact O-CD2 2.99Å; E268-H272 PolarHBondContact O-N 3.36Å |
| 269 | E | 86.7 | Confident | 81.1 | Confident | 145 Ų | 145 | 126.8 Ų | 126.8 | 68% | 0.678 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.6 | -44.8 | 172 | -171.4 | 173 | -172.6 | 0 | 0 | 112 | L265 R271 H272 Y273 | L265-E269 PolarHBondContact O-N 3.21Å; E269-R271 VanDerWaalsContact C-N 3.31Å; E269-R271 PolarHBondContact O-N 3.17Å; E269-H272 PolarHBondContact O-N 3.06Å; E269-Y273 PolarHBondContact O-N 2.97Å |
| 270 | M | 77.1 | Confident | 79.6 | Confident | 134 Ų | 134 | 122.4 Ų | 122.4 | 66% | 0.66 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.6 | -34.7 | 174.3 | -78.6 | -69.4 | -70 | 0 | 0 | 113 | S266 K274 | S266-M270 WeakPolarHBondContact O-CB 3.5Å; S266-M270 VanDerWaalsContact O-CG 3.3Å; S266-M270 WeakPolarHBondContact O-CG 3.47Å; S266-M270 PolarHBondContact O-N 3.35Å; S266-M270 VanDerWaalsContact O-N 3.1Å; M270-K274 WeakPolarHBondContact O-CB 3.48Å; M270-K274 PolarHBondContact O-N 3.46Å; M270-K274 VanDerWaalsContact O-N 3.12Å |
| 271 | R | 81.3 | Confident | 78 | Confident | 153 Ų | 153 | 120.8 Ų | 120.8 | 58% | 0.577 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -66.4 | -46.5 | 173.6 | -78.4 | 179.2 | -174.9 | 172.6 | -0.5 | 111.2 | L267 E268 E269 Y273 K274 E275 | L267-R271 WeakPolarHBondContact O-CG 3.17Å; L267-R271 PolarHBondContact O-N 3.41Å; E268-R271 WeakPolarHBondContact O-CB 3.46Å; E268-R271 PolarHBondContact O-N 3.12Å; E269-R271 VanDerWaalsContact C-N 3.31Å; E269-R271 PolarHBondContact O-N 3.17Å; R271-Y273 VanDerWaalsContact C-N 3.32Å; R271-Y273 PolarHBondContact O-N 3.45Å; R271-K274 PolarHBondContact O-N 3.07Å; R271-K274 VanDerWaalsContact O-N 3.14Å; R271-E275 WeakPolarHBondContact O-CG 3.41Å; R271-E275 PolarHBondContact O-N 3.06Å |
| 272 | H | 80.9 | Confident | 76.3 | Confident | 121 Ų | 121 | 125 Ų | 125 | 56% | 0.56 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -59.8 | -41 | 177.1 | -85.8 | -59.5 | 0 | 0 | 0 | 112.6 | E268 E269 E275 S276 | E268-H272 PolarHBondContact O-CD2 2.99Å; E268-H272 PolarHBondContact O-N 3.36Å; E269-H272 PolarHBondContact O-N 3.06Å; H272-E275 PolarHBondContact O-N 3.03Å; H272-S276 WeakPolarHBondContact O-CB 3.41Å; H272-S276 PolarHBondContact O-N 3.48Å; H272-S276 PolarHBondContact O-OG 3.48Å |
| 273 | Y | 76.4 | Confident | 74.8 | Confident | 148 Ų | 148 | 127.2 Ų | 127.2 | 58% | 0.58 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -62.3 | -42.4 | 174.3 | -176.5 | -95.2 | 0 | 0 | 0 | 112.4 | E269 R271 S276 H277 | E269-Y273 PolarHBondContact O-N 2.97Å; R271-Y273 VanDerWaalsContact C-N 3.32Å; R271-Y273 PolarHBondContact O-N 3.45Å; Y273-S276 PolarHBondContact O-OG 3.44Å; Y273-H277 WeakPolarHBondContact O-CB 3.45Å; Y273-H277 PolarHBondContact O-N 3.41Å |
| 274 | K | 78.7 | Confident | 73.3 | Confident | 164 Ų | 164 | 123.3 Ų | 123.3 | 71% | 0.713 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -67.6 | -37.5 | 178.7 | -170.7 | 175.1 | -178.7 | 177.3 | 0 | 112.4 | M270 R271 K278 | M270-K274 WeakPolarHBondContact O-CB 3.48Å; M270-K274 PolarHBondContact O-N 3.46Å; M270-K274 VanDerWaalsContact O-N 3.12Å; R271-K274 PolarHBondContact O-N 3.07Å; R271-K274 VanDerWaalsContact O-N 3.14Å; K274-K278 WeakPolarHBondContact O-CB 3.4Å; K274-K278 PolarHBondContact O-N 3.4Å; K274-K278 VanDerWaalsContact O-N 3.07Å |
| 275 | E | 78.9 | Confident | 71.4 | Confident | 121 Ų | 121 | 122.1 Ų | 122.1 | 57% | 0.565 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.7 | -42.5 | 177.3 | -74.1 | 174.5 | -177.7 | 0 | 0 | 112.1 | R271 H272 H277 K278 A279 | R271-E275 WeakPolarHBondContact O-CG 3.41Å; R271-E275 PolarHBondContact O-N 3.06Å; H272-E275 PolarHBondContact O-N 3.03Å; E275-H277 VanDerWaalsContact C-N 3.34Å; E275-H277 PolarHBondContact O-N 3.43Å; E275-K278 PolarHBondContact O-N 3.24Å; E275-A279 WeakPolarHBondContact O-CB 3.45Å; E275-A279 PolarHBondContact O-N 3.49Å |
| 276 | S | 73.5 | Confident | 69.8 | Low | 67 Ų | 67 | 121.2 Ų | 121.2 | 47% | 0.469 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -64.5 | -39.3 | 175.8 | 66.3 | 0 | 0 | 0 | 0 | 111.7 | H272 Y273 A279 S280 | H272-S276 WeakPolarHBondContact O-CB 3.41Å; H272-S276 PolarHBondContact O-N 3.48Å; H272-S276 PolarHBondContact O-OG 3.48Å; Y273-S276 PolarHBondContact O-OG 3.44Å; S276-A279 PolarHBondContact O-N 3.25Å; S276-S280 PolarHBondContact O-N 3.01Å; S276-S280 PolarHBondContact O-OG 3Å |
| 277 | H | 65.7 | Low | 68.3 | Low | 102 Ų | 102 | 124.6 Ų | 124.6 | 47% | 0.472 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70.3 | -34 | 177.8 | -147.7 | 35.1 | 0 | 0 | 0 | 112.8 | Y273 E275 A279 S280 L281 | Y273-H277 WeakPolarHBondContact O-CB 3.45Å; Y273-H277 PolarHBondContact O-N 3.41Å; E275-H277 VanDerWaalsContact C-N 3.34Å; E275-H277 PolarHBondContact O-N 3.43Å; H277-A279 VanDerWaalsContact C-N 3.34Å; H277-S280 WeakPolarHBondContact CA-OG 3.23Å; H277-S280 PolarHBondContact ND1-OG 3.02Å; H277-S280 PolarHBondContact O-OG 3.13Å; H277-L281 PolarHBondContact O-N 3.46Å |
| 278 | K | 65.9 | Low | 66.8 | Low | 165 Ų | 165 | 127.1 Ų | 127.1 | 72% | 0.717 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68.4 | -32.9 | 171.8 | -169.3 | 178.5 | -178.9 | -174.1 | 0 | 112.1 | K274 E275 | K274-K278 WeakPolarHBondContact O-CB 3.4Å; K274-K278 PolarHBondContact O-N 3.4Å; K274-K278 VanDerWaalsContact O-N 3.07Å; E275-K278 PolarHBondContact O-N 3.24Å |
| 279 | A | 61.2 | Low | 64.9 | Low | 68 Ų | 68 | 128.5 Ų | 128.5 | 56% | 0.562 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.2 | -38.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E275 S276 H277 L281 R282 | E275-A279 WeakPolarHBondContact O-CB 3.45Å; E275-A279 PolarHBondContact O-N 3.49Å; S276-A279 PolarHBondContact O-N 3.25Å; H277-A279 VanDerWaalsContact C-N 3.34Å; A279-L281 PolarHBondContact O-N 3.34Å; A279-R282 PolarHBondContact O-N 3.05Å |
| 280 | S | 58 | Low | 63.7 | Low | 72 Ų | 72 | 127.9 Ų | 127.9 | 50% | 0.503 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -67.7 | -21.8 | 176.9 | 60.5 | 0 | 0 | 0 | 0 | 114 | S276 H277 R282 | S276-S280 PolarHBondContact O-N 3.01Å; S276-S280 PolarHBondContact O-OG 3Å; H277-S280 WeakPolarHBondContact CA-OG 3.23Å; H277-S280 PolarHBondContact ND1-OG 3.02Å; H277-S280 PolarHBondContact O-OG 3.13Å; S280-R282 VanDerWaalsContact C-N 3.26Å; S280-R282 PolarHBondContact O-N 3.44Å |
| 281 | L | 55.6 | Low | 62.7 | Low | 135 Ų | 135 | 127 Ų | 127 | 71% | 0.707 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -3.9 | 174.9 | -99.3 | 150.2 | 0 | 0 | 0 | 114 | H277 A279 | H277-L281 PolarHBondContact O-N 3.46Å; A279-L281 PolarHBondContact O-N 3.34Å |
| 282 | R | 52.8 | Low | 61.7 | Low | 218 Ų | 218 | 126.2 Ų | 126.2 | 82% | 0.823 | 67% | 0.666 | S | S | * | * | trans | -100.6 | 80.2 | 170 | -71 | -164.1 | 175.4 | -166.1 | -0.6 | 110 | A279 S280 | A279-R282 PolarHBondContact O-N 3.05Å; S280-R282 VanDerWaalsContact C-N 3.26Å; S280-R282 PolarHBondContact O-N 3.44Å | ||
| 283 | L | 56.3 | Low | 60.3 | Low | 149 Ų | 149 | 127.6 Ų | 127.6 | 78% | 0.78 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -68 | 144 | 161.8 | -82.8 | 114.3 | 0 | 0 | 0 | 109.8 | ||
| 284 | P | 55.3 | Low | 59.1 | Low | 103 Ų | 103 | 123.5 Ų | 123.5 | 67% | 0.669 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 141.4 | 168.9 | 28.6 | -31.2 | 0 | 0 | 0 | 109.2 | T286 | P284-T286 PolarHBondContact O-N 2.98Š|
| 285 | P | 49.2 | Very low | 57.6 | Low | 130 Ų | 130 | 124.1 Ų | 124.1 | 84% | 0.844 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 124.5 | 179.5 | 27.4 | -31.9 | 0 | 0 | 0 | 109.4 | ||
| 286 | T | 52.5 | Low | 56.3 | Low | 86 Ų | 86 | 125.6 Ų | 125.6 | 53% | 0.528 | 68% | 0.678 | S | S | . | * | P | Polyproline II helix | trans | -76.6 | 147.6 | 165.1 | 48.8 | 0 | 0 | 0 | 0 | 108.8 | P284 N288 | P284-T286 PolarHBondContact O-N 2.98Å; T286-N288 PolarHBondContact O-N 3.36Å |
| 287 | P | 54.7 | Low | 55.4 | Low | 132 Ų | 132 | 126.7 Ų | 126.7 | 86% | 0.857 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -1.1 | -164.6 | -17.9 | 31.4 | 0 | 0 | 0 | 116 | ||
| 288 | N | 55.2 | Low | 54.8 | Low | 149 Ų | 149 | 131.3 Ų | 131.3 | 80% | 0.797 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.8 | 14.3 | -167.4 | -83 | -9.2 | 0 | 0 | 0 | 115.9 | T286 V290 | T286-N288 PolarHBondContact O-N 3.36Å; N288-V290 PolarHBondContact O-N 3.43Å |
| 289 | D | 48.2 | Very low | 54 | Low | 137 Ų | 137 | 131.7 Ų | 131.7 | 73% | 0.733 | 71% | 0.706 | S | S | * | * | trans | -82.9 | 102.6 | 173.8 | -78.7 | -8.6 | 0 | 0 | 0 | 111.2 | N291 | D289-N291 PolarHBondContact O-N 3.4Š| ||
| 290 | V | 60.1 | Low | 53.7 | Low | 131 Ų | 131 | 138 Ų | 138 | 79% | 0.794 | 72% | 0.721 | S | S | * | * | trans | -70.4 | 108 | 171.2 | -179.8 | 0 | 0 | 0 | 0 | 108.9 | N288 I292 | N288-V290 PolarHBondContact O-N 3.43Å; V290-I292 PolarHBondContact O-N 3.16Å; V290-I292 VanDerWaalsContact O-N 3.1Å | ||
| 291 | N | 56.3 | Low | 53.7 | Low | 115 Ų | 115 | 142.2 Ų | 142.2 | 62% | 0.615 | 73% | 0.733 | S | S | * | * | trans | -77.6 | 95.6 | -176.7 | -145.1 | -30.9 | 0 | 0 | 0 | 110.2 | D289 F293 S294 | D289-N291 PolarHBondContact O-N 3.4Å; N291-F293 PolarHBondContact O-N 3.13Å; N291-S294 WeakPolarHBondContact O-CB 3.48Å; N291-S294 PolarHBondContact O-N 2.98Å; N291-S294 PolarHBondContact O-OG 3.1Å | ||
| 292 | I | 59.5 | Low | 54.2 | Low | 137 Ų | 137 | 137.3 Ų | 137.3 | 70% | 0.703 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -60.8 | -17.9 | -174.4 | -118.6 | 163.8 | 0 | 0 | 0 | 113.8 | V290 | V290-I292 PolarHBondContact O-N 3.16Å; V290-I292 VanDerWaalsContact O-N 3.1Å |
| 293 | F | 52.6 | Low | 54.6 | Low | 150 Ų | 150 | 136.3 Ų | 136.3 | 66% | 0.658 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -86.7 | -3.3 | 176.9 | -65.2 | -73.4 | 0 | 0 | 0 | 114.3 | N291 F295 L296 | N291-F293 PolarHBondContact O-N 3.13Å; F293-F295 PolarHBondContact O-N 3.2Å; F293-L296 HydrophobicContact CD1-CD1 4.28Å; F293-L296 PolarHBondContact O-N 3.49Å |
| 294 | S | 51.8 | Low | 54.7 | Low | 63 Ų | 63 | 135.1 Ų | 135.1 | 44% | 0.441 | 71% | 0.706 | S | S | . | * | G | 310 helix | trans | -67.8 | -21.5 | 176 | 74.7 | 0 | 0 | 0 | 0 | 113 | N291 L296 S297 | N291-S294 WeakPolarHBondContact O-CB 3.48Å; N291-S294 PolarHBondContact O-N 2.98Å; N291-S294 PolarHBondContact O-OG 3.1Å; S294-L296 VanDerWaalsContact C-N 3.28Å; S294-L296 PolarHBondContact O-N 2.93Å; S294-S297 PolarHBondContact O-N 3.18Å; S294-S297 PolarHBondContact O-OG 3.33Å |
| 295 | F | 47.3 | Very low | 55.3 | Low | 177 Ų | 177 | 133.5 Ų | 133.5 | 78% | 0.776 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -76.3 | -13 | 177.2 | -79.4 | -83.5 | 0 | 0 | 0 | 113.9 | F293 | F293-F295 PolarHBondContact O-N 3.2Š|
| 296 | L | 50 | Low | 56.1 | Low | 151 Ų | 151 | 131.5 Ų | 131.5 | 79% | 0.791 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -93.5 | -0.9 | 174.6 | -74.3 | 169.2 | 0 | 0 | 0 | 113.5 | F293 S294 | F293-L296 HydrophobicContact CD1-CD1 4.28Å; F293-L296 PolarHBondContact O-N 3.49Å; S294-L296 VanDerWaalsContact C-N 3.28Å; S294-L296 PolarHBondContact O-N 2.93Å |
| 297 | S | 55.6 | Low | 56.6 | Low | 91 Ų | 91 | 131.7 Ų | 131.7 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | trans | -106.9 | 10.9 | -179.5 | 82.7 | 0 | 0 | 0 | 0 | 115.2 | S294 K299 | S294-S297 PolarHBondContact O-N 3.18Å; S294-S297 PolarHBondContact O-OG 3.33Å; S297-K299 PolarHBondContact O-N 3.2Å | ||
| 298 | K | 52.2 | Low | 57 | Low | 198 Ų | 198 | 133.1 Ų | 133.1 | 86% | 0.861 | 66% | 0.663 | S | S | * | * | trans | -72.9 | 74.7 | 165.2 | -90.3 | -173.3 | 177 | 179.1 | 0 | 109.4 | K300 | K298-K300 PolarHBondContact O-N 3.01Å; K298-K300 VanDerWaalsContact O-N 3.11Å | ||
| 299 | K | 49.9 | Very low | 57.5 | Low | 173 Ų | 173 | 132.2 Ų | 132.2 | 75% | 0.752 | 65% | 0.654 | S | S | * | * | trans | -61.7 | 110.9 | 164.9 | -164.2 | -177.9 | -177.1 | -167.6 | 0 | 106.4 | S297 E301 | S297-K299 PolarHBondContact O-N 3.2Å; K299-E301 PolarHBondContact O-N 2.77Å; K299-E301 VanDerWaalsContact O-N 3.14Å | ||
| 300 | K | 53.8 | Low | 58.1 | Low | 201 Ų | 201 | 131.1 Ų | 131.1 | 87% | 0.874 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -55 | 116.8 | 169.9 | -125.3 | 175.7 | 179.9 | 178.9 | 0 | 106.8 | K298 G302 | K298-K300 PolarHBondContact O-N 3.01Å; K298-K300 VanDerWaalsContact O-N 3.11Å; K300-G302 PolarHBondContact O-N 3.41Å; K300-G302 VanDerWaalsContact O-N 3.11Å |
| 301 | E | 59.8 | Low | 58 | Low | 161 Ų | 161 | 127 Ų | 127 | 75% | 0.752 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -56 | 118.3 | 175.1 | -70.4 | 175.9 | 172.1 | 0 | 0 | 108.1 | K299 | K299-E301 PolarHBondContact O-N 2.77Å; K299-E301 VanDerWaalsContact O-N 3.14Å |
| 302 | G | 65.6 | Low | 58 | Low | 31 Ų | 31 | 125.8 Ų | 125.8 | 32% | 0.32 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -82.2 | 160.3 | 179 | 0 | 0 | 0 | 0 | 0 | 110.2 | K300 N304 D305 | K300-G302 PolarHBondContact O-N 3.41Å; K300-G302 VanDerWaalsContact O-N 3.11Å; G302-N304 PolarHBondContact O-N 2.98Å; G302-D305 PolarHBondContact N-OD2 2.97Å; G302-D305 PolarHBondContact O-N 3.24Å |
| 303 | Y | 60.9 | Low | 57.8 | Low | 197 Ų | 197 | 128.2 Ų | 128.2 | 77% | 0.773 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -49.4 | -25.8 | 173.1 | -153.7 | -95.9 | 0 | 0 | 0 | 113 | I307 | Y303-I307 HydrophobicContact CD1-CD1 3.76Å; Y303-I307 HydrophobicContact CD1-CG1 4.42Å; Y303-I307 HydrophobicContact CE1-CD1 4.07Å; Y303-I307 WeakPolarHBondContact O-CG1 3.3Å; Y303-I307 PolarHBondContact O-N 3.04Å |
| 304 | N | 58.3 | Low | 57.7 | Low | 124 Ų | 124 | 127.6 Ų | 127.6 | 66% | 0.663 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72 | -28.6 | 175.1 | -101.1 | -37.4 | 0 | 0 | 0 | 115.4 | G302 K308 | G302-N304 PolarHBondContact O-N 2.98Å; N304-K308 PolarHBondContact O-N 3.35Å |
| 305 | D | 67.3 | Low | 57.6 | Low | 69 Ų | 69 | 133.7 Ų | 133.7 | 37% | 0.369 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -76.7 | -32.7 | 178 | -65.6 | -38.7 | 0 | 0 | 0 | 110.6 | G302 K308 Q309 | G302-D305 PolarHBondContact N-OD2 2.97Å; G302-D305 PolarHBondContact O-N 3.24Å; D305-K308 PolarHBondContact O-N 3.22Å; D305-Q309 PolarHBondContact O-N 2.94Å; D305-Q309 VanDerWaalsContact O-N 3.13Å |
| 306 | L | 66.9 | Low | 57.6 | Low | 89 Ų | 89 | 128.1 Ų | 128.1 | 47% | 0.466 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -65.6 | -41.7 | 170.5 | -87.8 | 142 | 0 | 0 | 0 | 112.7 | K308 Q309 I310 | L306-K308 VanDerWaalsContact C-N 3.34Å; L306-K308 PolarHBondContact O-N 3.39Å; L306-Q309 PolarHBondContact O-N 3.19Å; L306-I310 VanDerWaalsContact O-CG1 3.32Å; L306-I310 WeakPolarHBondContact O-CG1 3.44Å; L306-I310 PolarHBondContact O-N 3.42Å; L306-I310 VanDerWaalsContact O-N 3.09Å |
| 307 | I | 63.2 | Low | 57.1 | Low | 89 Ų | 89 | 127.7 Ų | 127.7 | 46% | 0.456 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -65.1 | -38.3 | 176.8 | -67.4 | 166.6 | 0 | 0 | 0 | 111 | Y303 I310 G311 | Y303-I307 HydrophobicContact CD1-CD1 3.76Å; Y303-I307 HydrophobicContact CD1-CG1 4.42Å; Y303-I307 HydrophobicContact CE1-CD1 4.07Å; Y303-I307 WeakPolarHBondContact O-CG1 3.3Å; Y303-I307 PolarHBondContact O-N 3.04Å; I307-I310 PolarHBondContact O-N 2.93Å; I307-G311 PolarHBondContact O-N 3.14Å |
| 308 | K | 62.8 | Low | 56.1 | Low | 162 Ų | 162 | 130.7 Ų | 130.7 | 70% | 0.704 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64.4 | -37.6 | 174.1 | -92.6 | -178.1 | 174.4 | 178.4 | 0 | 113 | N304 D305 L306 G311 S312 | N304-K308 PolarHBondContact O-N 3.35Å; D305-K308 PolarHBondContact O-N 3.22Å; L306-K308 VanDerWaalsContact C-N 3.34Å; L306-K308 PolarHBondContact O-N 3.39Å; K308-G311 PolarHBondContact O-N 2.97Å; K308-S312 PolarHBondContact O-N 3.12Å; K308-S312 PolarHBondContact O-OG 3.03Å |
| 309 | Q | 64.9 | Low | 55.2 | Low | 130 Ų | 130 | 131.5 Ų | 131.5 | 61% | 0.607 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.1 | -37.5 | 177.6 | -161.1 | 175.9 | 14.2 | 0 | 0 | 111.7 | D305 L306 S312 K313 | D305-Q309 PolarHBondContact O-N 2.94Å; D305-Q309 VanDerWaalsContact O-N 3.13Å; L306-Q309 PolarHBondContact O-N 3.19Å; Q309-S312 PolarHBondContact O-N 3.24Å; Q309-S312 PolarHBondContact O-OG 3.49Å; Q309-K313 PolarHBondContact O-N 2.88Å |
| 310 | I | 60.3 | Low | 54.3 | Low | 115 Ų | 115 | 130.2 Ų | 130.2 | 59% | 0.59 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.6 | -39.6 | 174.6 | -63.7 | 164.1 | 0 | 0 | 0 | 111.1 | L306 I307 S312 K313 | L306-I310 VanDerWaalsContact O-CG1 3.32Å; L306-I310 WeakPolarHBondContact O-CG1 3.44Å; L306-I310 PolarHBondContact O-N 3.42Å; L306-I310 VanDerWaalsContact O-N 3.09Å; I307-I310 PolarHBondContact O-N 2.93Å; I310-S312 PolarHBondContact O-N 3.15Å; I310-K313 PolarHBondContact O-N 3.36Å |
| 311 | G | 58.8 | Low | 53.2 | Low | 45 Ų | 45 | 124.3 Ų | 124.3 | 46% | 0.464 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -63 | -39.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | I307 K308 K313 | I307-G311 PolarHBondContact O-N 3.14Å; K308-G311 PolarHBondContact O-N 2.97Å; G311-K313 VanDerWaalsContact C-N 3.3Å; G311-K313 PolarHBondContact O-N 3.4Å |
| 312 | S | 57.4 | Low | 51.7 | Low | 89 Ų | 89 | 124.1 Ų | 124.1 | 62% | 0.622 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -73.2 | -16.3 | -179.3 | 68 | 0 | 0 | 0 | 0 | 115 | K308 Q309 I310 | K308-S312 PolarHBondContact O-N 3.12Å; K308-S312 PolarHBondContact O-OG 3.03Å; Q309-S312 PolarHBondContact O-N 3.24Å; Q309-S312 PolarHBondContact O-OG 3.49Å; I310-S312 PolarHBondContact O-N 3.15Å |
| 313 | K | 54.6 | Low | 50 | Low | 188 Ų | 188 | 126.9 Ų | 126.9 | 82% | 0.817 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.2 | -9.4 | -177.9 | -140.6 | 174.3 | -175.9 | 178.8 | 0 | 113.3 | Q309 I310 G311 | Q309-K313 PolarHBondContact O-N 2.88Å; I310-K313 PolarHBondContact O-N 3.36Å; G311-K313 VanDerWaalsContact C-N 3.3Å; G311-K313 PolarHBondContact O-N 3.4Å |
| 314 | N | 51.3 | Low | 48.5 | Very low | 137 Ų | 137 | 122.3 Ų | 122.3 | 73% | 0.733 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -102.5 | -7.5 | -177.1 | -112.2 | 6.8 | 0 | 0 | 0 | 114.6 | G316 | N314-G316 PolarHBondContact O-N 3.23Å; N314-G316 VanDerWaalsContact O-N 3.13Å |
| 315 | E | 48.3 | Very low | 47.3 | Very low | 190 Ų | 190 | 125.3 Ų | 125.3 | 89% | 0.888 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 35 | 175.8 | -71.3 | -163.7 | 155.4 | 0 | 0 | 113.5 | ||
| 316 | G | 47.8 | Very low | 45.6 | Very low | 61 Ų | 61 | 131.9 Ų | 131.9 | 63% | 0.629 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.7 | 26.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N314 | N314-G316 PolarHBondContact O-N 3.23Å; N314-G316 VanDerWaalsContact O-N 3.13Å |
| 317 | N | 39.1 | Very low | 43.9 | Very low | 142 Ų | 142 | 132.3 Ų | 132.3 | 76% | 0.759 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -164.7 | 125.9 | 163.6 | -107.5 | -10.7 | 0 | 0 | 0 | 114 | ||
| 318 | H | 35.5 | Very low | 42.4 | Very low | 154 Ų | 154 | 136.8 Ų | 136.8 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | trans | 73.5 | 107.2 | 157.1 | -78.5 | -48.2 | 0 | 0 | 0 | 123.5 | ||||
| 319 | R | 33.8 | Very low | 40.8 | Very low | 214 Ų | 214 | 135.1 Ų | 135.1 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | 55.1 | 139.4 | 116.5 | -76 | -172.4 | -178.9 | 179.9 | 0.1 | 122.3 | |||||
| 320 | T | 30.9 | Very low | 39.1 | Very low | 146 Ų | 146 | 136.7 Ų | 136.7 | 90% | 0.896 | 75% | 0.747 | S | S | * | * | trans | 86.6 | 134.5 | 156 | 59.3 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 321 | G | 29.8 | Very low | 37.7 | Very low | 78 Ų | 78 | 136.4 Ų | 136.4 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | 113.3 | 87.9 | 143.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 322 | D | 28.8 | Very low | 36.3 | Very low | 156 Ų | 156 | 145.1 Ų | 145.1 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | 25.3 | 141.6 | 137.5 | -149.9 | 10.6 | 0 | 0 | 0 | 124 | ||||
| 323 | S | 30.3 | Very low | 35.2 | Very low | 89 Ų | 89 | 146.5 Ų | 146.5 | 62% | 0.622 | 78% | 0.784 | S | S | * | * | trans | 80.9 | 104.5 | 145.2 | 77.5 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 324 | S | 29.1 | Very low | 34.4 | Very low | 102 Ų | 102 | 146.5 Ų | 146.5 | 71% | 0.713 | 78% | 0.784 | S | S | * | * | 93.3 | 136.8 | 121.7 | 93.5 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 325 | K | 32.4 | Very low | 33.4 | Very low | 187 Ų | 187 | 145.8 Ų | 145.8 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | 95 | 101.7 | 149.9 | -69.8 | 176.2 | -176.3 | 172.5 | 0 | 119.9 | ||||
| 326 | K | 31.7 | Very low | 32.7 | Very low | 206 Ų | 206 | 141.7 Ų | 141.7 | 90% | 0.896 | 78% | 0.781 | S | S | * | * | 76.2 | 104.2 | 127.3 | -80.3 | -172.9 | 174.5 | -179 | 0 | 118.6 | |||||
| 327 | A | 31.8 | Very low | 32.1 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | trans | -59 | 145.3 | 161 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 328 | K | 30.9 | Very low | 31.9 | Very low | 183 Ų | 183 | 147.8 Ų | 147.8 | 80% | 0.796 | 80% | 0.799 | S | S | * | * | -159.4 | 145.1 | 123.5 | -124.9 | -174.7 | 176.1 | 179.9 | 0 | 111.9 | |||||
| 329 | D | 29 | Very low | 31.9 | Very low | 126 Ų | 126 | 145 Ų | 145 | 67% | 0.674 | 80% | 0.803 | S | S | * | * | trans | 91.3 | 115.9 | 151.3 | -58.3 | -28.5 | 0 | 0 | 0 | 121.5 | ||||
| 330 | M | 29.4 | Very low | 32.2 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 80% | 0.803 | 81% | 0.805 | S | S | * | * | trans | 98.4 | 103.4 | 130.3 | -88.9 | 162.8 | 49.9 | 0 | 0 | 120.2 | ||||
| 331 | S | 30.8 | Very low | 32.4 | Very low | 109 Ų | 109 | 141.9 Ų | 141.9 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | 60.6 | 103.7 | 126.9 | 62.3 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 332 | R | 29.7 | Very low | 32.7 | Very low | 228 Ų | 228 | 147.4 Ų | 147.4 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | trans | -138.4 | 108.6 | 153.6 | -152.7 | 171.5 | 99.4 | 139.7 | 2.9 | 111.6 | ||||
| 333 | S | 35 | Very low | 33.2 | Very low | 118 Ų | 118 | 146.6 Ų | 146.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -58.4 | 128.7 | 165.5 | 29.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 334 | K | 37.6 | Very low | 34 | Very low | 189 Ų | 189 | 146.3 Ų | 146.3 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -98.8 | 113.1 | 163.9 | -74.3 | -177.7 | 177 | 180 | 0 | 107.8 | ||||
| 335 | S | 29.2 | Very low | 34.6 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 85% | 0.846 | 81% | 0.812 | S | S | * | * | trans | -105.5 | 108.7 | 157.6 | -178.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 336 | C | 35 | Very low | 35.2 | Very low | 105 Ų | 105 | 146.1 Ų | 146.1 | 71% | 0.709 | 81% | 0.806 | S | S | * | * | trans | -84 | 122.3 | 174.8 | -55.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 337 | N | 35 | Very low | 36 | Very low | 159 Ų | 159 | 144 Ų | 144 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -167 | 84 | 150 | -98.5 | -9.2 | 0 | 0 | 0 | 107.5 | ||||
| 338 | D | 35.1 | Very low | 36.5 | Very low | 172 Ų | 172 | 145.2 Ų | 145.2 | 92% | 0.92 | 80% | 0.795 | S | S | * | * | trans | -127.5 | 116.4 | 158.6 | -76.7 | -35.2 | 0 | 0 | 0 | 106.4 | ||||
| 339 | A | 35.1 | Very low | 37 | Very low | 96 Ų | 96 | 141 Ų | 141 | 79% | 0.793 | 79% | 0.788 | S | S | * | * | trans | -116.4 | 131.2 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 340 | P | 39.8 | Very low | 37.8 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | trans | -86.1 | 144.7 | -175.5 | 33.1 | -31.8 | 0 | 0 | 0 | 112 | ||||
| 341 | E | 35.7 | Very low | 38.7 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -77.7 | 141.6 | 173.2 | -66.5 | -177 | 149.5 | 0 | 0 | 111.7 | ||||
| 342 | F | 35.4 | Very low | 39.6 | Very low | 193 Ų | 193 | 147.4 Ų | 147.4 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -139.1 | 129.8 | 163.7 | -144.3 | -93.8 | 0 | 0 | 0 | 109.5 | ||||
| 343 | N | 38.4 | Very low | 40 | Very low | 140 Ų | 140 | 140 Ų | 140 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | S | Bend | trans | 59 | 63.7 | 177.1 | -80.1 | 2.7 | 0 | 0 | 0 | 118.3 | H345 | N343-H345 PolarHBondContact O-N 3.34Š|
| 344 | G | 48.6 | Very low | 40.3 | Very low | 83 Ų | 83 | 140.8 Ų | 140.8 | 86% | 0.856 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 65.8 | 4.3 | 143.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||
| 345 | H | 41.3 | Very low | 40.7 | Very low | 174 Ų | 174 | 143.2 Ų | 143.2 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | trans | -124 | 111.5 | 171.8 | -78.7 | -72.7 | 0 | 0 | 0 | 110.3 | N343 I347 | N343-H345 PolarHBondContact O-N 3.34Å; H345-I347 PolarHBondContact O-N 3.07Å | ||
| 346 | T | 45.4 | Very low | 41.2 | Very low | 110 Ų | 110 | 145.1 Ų | 145.1 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | trans | -68.6 | 112.8 | 171.2 | -44.1 | 0 | 0 | 0 | 0 | 109.3 | L348 | T346-L348 PolarHBondContact O-N 2.95Å; T346-L348 VanDerWaalsContact O-N 3.15Å | ||
| 347 | I | 47.4 | Very low | 41.6 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 84% | 0.836 | 79% | 0.792 | S | S | * | * | trans | -72.8 | 103.8 | 166.5 | -60.1 | 175.6 | 0 | 0 | 0 | 107.1 | H345 S349 | H345-I347 PolarHBondContact O-N 3.07Å; I347-S349 PolarHBondContact O-N 2.97Å | ||
| 348 | L | 42.5 | Very low | 42.2 | Very low | 124 Ų | 124 | 152.8 Ų | 152.8 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | trans | -63.1 | 121.8 | 167.1 | -92.6 | 136.4 | 0 | 0 | 0 | 109 | T346 R352 | T346-L348 PolarHBondContact O-N 2.95Å; T346-L348 VanDerWaalsContact O-N 3.15Å; L348-R352 HydrophobicContact CD2-CB 4.06Å | ||
| 349 | S | 40.7 | Very low | 42.4 | Very low | 94 Ų | 94 | 155.5 Ų | 155.5 | 66% | 0.657 | 79% | 0.79 | S | S | * | * | trans | -58.9 | 143.5 | 161.4 | 61.6 | 0 | 0 | 0 | 0 | 109.2 | I347 D351 | I347-S349 PolarHBondContact O-N 2.97Å; S349-D351 PolarHBondContact O-N 2.84Å | ||
| 350 | L | 46.7 | Very low | 43 | Very low | 162 Ų | 162 | 160.2 Ų | 160.2 | 85% | 0.848 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 30.6 | -164.3 | -145.1 | 121.9 | 0 | 0 | 0 | 114.6 | ||
| 351 | D | 48.3 | Very low | 43.3 | Very low | 154 Ų | 154 | 157 Ų | 157 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.6 | 2.4 | 179.9 | -87.4 | -22.2 | 0 | 0 | 0 | 113.7 | S349 | S349-D351 PolarHBondContact O-N 2.84Š|
| 352 | R | 50.2 | Low | 43.9 | Very low | 216 Ų | 216 | 157.5 Ų | 157.5 | 82% | 0.815 | 77% | 0.769 | S | S | * | * | trans | -130.6 | 36 | -178.8 | -75.9 | -172.1 | 175.8 | 177 | -0.1 | 115.3 | L348 | L348-R352 HydrophobicContact CD2-CB 4.06Š| ||
| 353 | S | 36.8 | Very low | 44.8 | Very low | 74 Ų | 74 | 151.3 Ų | 151.3 | 52% | 0.517 | 75% | 0.75 | S | S | . | * | trans | -93.4 | 136.9 | 169.7 | 89.4 | 0 | 0 | 0 | 0 | 112.4 | R355 | S353-R355 PolarHBondContact O-N 3.19Š| ||
| 354 | P | 42.8 | Very low | 45.3 | Very low | 133 Ų | 133 | 148.5 Ų | 148.5 | 86% | 0.864 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | 7.3 | -179.6 | -20.6 | 32.6 | 0 | 0 | 0 | 116.3 | ||
| 355 | R | 45.7 | Very low | 45.2 | Very low | 241 Ų | 241 | 154 Ų | 154 | 91% | 0.909 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 17.5 | -173.5 | -84.6 | -177.4 | 74.9 | 154.2 | -0.4 | 115.7 | S353 | S353-R355 PolarHBondContact O-N 3.19Š|
| 356 | Q | 39.4 | Very low | 45.9 | Very low | 161 Ų | 161 | 148.5 Ų | 148.5 | 75% | 0.752 | 71% | 0.708 | S | S | * | * | trans | -114 | 45.8 | 173.1 | -159.1 | 153.8 | -10.7 | 0 | 0 | 113.4 | ||||
| 357 | K | 43.5 | Very low | 46.2 | Very low | 197 Ų | 197 | 147.8 Ų | 147.8 | 86% | 0.857 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -99.4 | 20.4 | 168.4 | -133.8 | 178.2 | -173.2 | -179.7 | 0 | 114 | ||
| 358 | R | 46.9 | Very low | 46.7 | Very low | 227 Ų | 227 | 144.5 Ų | 144.5 | 86% | 0.857 | 69% | 0.691 | S | S | * | * | trans | -146.3 | 78.4 | 170.6 | -71.4 | -169.2 | -129.7 | -157 | 1.5 | 111.9 | ||||
| 359 | R | 39.8 | Very low | 47 | Very low | 229 Ų | 229 | 141.5 Ų | 141.5 | 86% | 0.864 | 68% | 0.684 | S | S | * | * | trans | -145.7 | 90.6 | 148.7 | -72.3 | -157.6 | -173.5 | -157.8 | 4 | 108.4 | ||||
| 360 | Y | 46.8 | Very low | 47.5 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 77% | 0.769 | 68% | 0.683 | S | S | * | * | trans | -72.9 | 136.6 | 163.1 | -73.2 | -85.7 | 0 | 0 | 0 | 108.4 | ||||
| 361 | S | 47.3 | Very low | 47.6 | Very low | 63 Ų | 63 | 139.2 Ų | 139.2 | 44% | 0.441 | 66% | 0.664 | S | S | . | * | trans | -67.3 | 144.6 | 176.3 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | S363 D364 | S361-S363 PolarHBondContact O-N 2.91Å; S361-S363 VanDerWaalsContact O-N 3.17Å; S361-S363 PolarHBondContact OG-N 3.33Å; S361-S363 PolarHBondContact OG-OG 3.3Å; S361-D364 WeakPolarHBondContact O-CB 3.47Å; S361-D364 PolarHBondContact O-N 3.46Å | ||
| 362 | F | 47.1 | Very low | 47.3 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 76% | 0.763 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -55.4 | -31.1 | 175.5 | -176.1 | -100.1 | 0 | 0 | 0 | 112.4 | D364 R365 V366 | F362-D364 VanDerWaalsContact C-N 3.28Å; F362-D364 PolarHBondContact O-N 3.07Å; F362-R365 PolarHBondContact O-N 3.5Å; F362-V366 HydrophobicContact CD1-CG2 4.29Å; F362-V366 HydrophobicContact CE1-CG2 4.01Å; F362-V366 HydrophobicContact CZ-CG2 4.41Å; F362-V366 WeakPolarHBondContact O-CG2 3.43Å; F362-V366 PolarHBondContact O-N 3.45Å |
| 363 | S | 54.5 | Low | 47 | Very low | 62 Ų | 62 | 131.3 Ų | 131.3 | 43% | 0.434 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62.6 | -31.7 | 174.4 | 60.2 | 0 | 0 | 0 | 0 | 113.6 | S361 T367 | S361-S363 PolarHBondContact O-N 2.91Å; S361-S363 VanDerWaalsContact O-N 3.17Å; S361-S363 PolarHBondContact OG-N 3.33Å; S361-S363 PolarHBondContact OG-OG 3.3Å; S363-T367 WeakPolarHBondContact O-CB 3.46Å; S363-T367 PolarHBondContact O-N 3.43Å; S363-T367 VanDerWaalsContact O-N 3.12Å; S363-T367 PolarHBondContact O-OG1 3.13Å |
| 364 | D | 49.5 | Very low | 47.1 | Very low | 81 Ų | 81 | 134.5 Ų | 134.5 | 43% | 0.433 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -77.1 | -32.8 | -179 | -64.4 | -20.1 | 0 | 0 | 0 | 110.8 | S361 F362 T367 V368 | S361-D364 WeakPolarHBondContact O-CB 3.47Å; S361-D364 PolarHBondContact O-N 3.46Å; F362-D364 VanDerWaalsContact C-N 3.28Å; F362-D364 PolarHBondContact O-N 3.07Å; D364-T367 PolarHBondContact O-N 3.44Å; D364-V368 WeakPolarHBondContact O-CB 3.46Å; D364-V368 VanDerWaalsContact O-CG2 3.23Å; D364-V368 WeakPolarHBondContact O-CG2 3.35Å; D364-V368 PolarHBondContact O-N 3.47Å |
| 365 | R | 46.9 | Very low | 46.8 | Very low | 199 Ų | 199 | 134.4 Ų | 134.4 | 75% | 0.751 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.2 | -39.2 | 173.1 | -85 | -169.2 | 158 | -170 | -5.8 | 112.7 | F362 A369 | F362-R365 PolarHBondContact O-N 3.5Å; R365-A369 WeakPolarHBondContact O-CB 3.41Å; R365-A369 PolarHBondContact O-N 3.36Å |
| 366 | V | 54.8 | Low | 46.5 | Very low | 58 Ų | 58 | 132.3 Ų | 132.3 | 35% | 0.352 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -65.8 | -42.5 | 176.1 | 175.3 | 0 | 0 | 0 | 0 | 110.4 | F362 V368 A369 F370 | F362-V366 HydrophobicContact CD1-CG2 4.29Å; F362-V366 HydrophobicContact CE1-CG2 4.01Å; F362-V366 HydrophobicContact CZ-CG2 4.41Å; F362-V366 WeakPolarHBondContact O-CG2 3.43Å; F362-V366 PolarHBondContact O-N 3.45Å; V366-V368 PolarHBondContact O-N 3.13Å; V366-A369 PolarHBondContact O-N 3.38Å; V366-F370 HydrophobicContact CG1-CD2 3.59Å; V366-F370 HydrophobicContact CG1-CE2 3.62Å; V366-F370 WeakPolarHBondContact O-CD2 3.32Å; V366-F370 PolarHBondContact O-N 3.23Å |
| 367 | T | 53.6 | Low | 46.5 | Very low | 95 Ų | 95 | 132 Ų | 132 | 58% | 0.583 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.8 | -37.2 | 179.6 | -50.9 | 0 | 0 | 0 | 0 | 112.5 | S363 D364 S371 | S363-T367 WeakPolarHBondContact O-CB 3.46Å; S363-T367 PolarHBondContact O-N 3.43Å; S363-T367 VanDerWaalsContact O-N 3.12Å; S363-T367 PolarHBondContact O-OG1 3.13Å; D364-T367 PolarHBondContact O-N 3.44Å; T367-S371 WeakPolarHBondContact O-CB 3.45Å; T367-S371 PolarHBondContact O-N 3.42Å; T367-S371 PolarHBondContact O-OG 2.89Å |
| 368 | V | 56.4 | Low | 46.4 | Very low | 94 Ų | 94 | 128.8 Ų | 128.8 | 57% | 0.57 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -75.9 | -32.3 | 175.9 | 174.6 | 0 | 0 | 0 | 0 | 112.1 | D364 V366 S371 K372 | D364-V368 WeakPolarHBondContact O-CB 3.46Å; D364-V368 VanDerWaalsContact O-CG2 3.23Å; D364-V368 WeakPolarHBondContact O-CG2 3.35Å; D364-V368 PolarHBondContact O-N 3.47Å; V366-V368 PolarHBondContact O-N 3.13Å; V368-S371 WeakPolarHBondContact CA-OG 3.5Å; V368-S371 PolarHBondContact O-N 3.27Å; V368-S371 PolarHBondContact O-OG 3.4Å; V368-K372 WeakPolarHBondContact O-CB 3.36Å; V368-K372 PolarHBondContact O-N 3Å |
| 369 | A | 50 | Low | 45.5 | Very low | 61 Ų | 61 | 121.5 Ų | 121.5 | 50% | 0.504 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -68.4 | -41.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | R365 V366 K372 S373 | R365-A369 WeakPolarHBondContact O-CB 3.41Å; R365-A369 PolarHBondContact O-N 3.36Å; V366-A369 PolarHBondContact O-N 3.38Å; A369-K372 PolarHBondContact O-N 3.09Å; A369-S373 PolarHBondContact O-N 3.49Å; A369-S373 VanDerWaalsContact O-N 3.07Å; A369-S373 PolarHBondContact O-OG 3.46Å |
| 370 | F | 49.8 | Very low | 45.2 | Very low | 145 Ų | 145 | 115.6 Ų | 115.6 | 64% | 0.636 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -73 | -24.2 | 175.1 | -81.4 | -69.3 | 0 | 0 | 0 | 113.6 | V366 S373 K374 | V366-F370 HydrophobicContact CG1-CD2 3.59Å; V366-F370 HydrophobicContact CG1-CE2 3.62Å; V366-F370 WeakPolarHBondContact O-CD2 3.32Å; V366-F370 PolarHBondContact O-N 3.23Å; F370-S373 PolarHBondContact O-OG 2.86Å; F370-K374 WeakPolarHBondContact O-CB 3.35Å; F370-K374 PolarHBondContact O-N 3.48Å |
| 371 | S | 48.6 | Very low | 44.5 | Very low | 64 Ų | 64 | 113.6 Ų | 113.6 | 45% | 0.448 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -77.5 | -32.5 | 172.4 | 73.8 | 0 | 0 | 0 | 0 | 112.2 | T367 V368 | T367-S371 WeakPolarHBondContact O-CB 3.45Å; T367-S371 PolarHBondContact O-N 3.42Å; T367-S371 PolarHBondContact O-OG 2.89Å; V368-S371 WeakPolarHBondContact CA-OG 3.5Å; V368-S371 PolarHBondContact O-N 3.27Å; V368-S371 PolarHBondContact O-OG 3.4Å |
| 372 | K | 43.6 | Very low | 43.8 | Very low | 140 Ų | 140 | 118.2 Ų | 118.2 | 61% | 0.609 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.6 | -37.7 | 176.6 | -133.9 | 177.2 | -176.2 | -174.2 | 0 | 112.4 | V368 A369 K374 N375 Y376 | V368-K372 WeakPolarHBondContact O-CB 3.36Å; V368-K372 PolarHBondContact O-N 3Å; A369-K372 PolarHBondContact O-N 3.09Å; K372-K374 VanDerWaalsContact C-N 3.29Å; K372-K374 PolarHBondContact O-N 2.91Å; K372-N375 PolarHBondContact O-N 3.28Å; K372-Y376 WeakPolarHBondContact O-CD2 3.33Å |
| 373 | S | 42.4 | Very low | 42.9 | Very low | 63 Ų | 63 | 113.5 Ų | 113.5 | 44% | 0.441 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -69.3 | -26.5 | 175.4 | 66.3 | 0 | 0 | 0 | 0 | 113.3 | A369 F370 | A369-S373 PolarHBondContact O-N 3.49Å; A369-S373 VanDerWaalsContact O-N 3.07Å; A369-S373 PolarHBondContact O-OG 3.46Å; F370-S373 PolarHBondContact O-OG 2.86Å |
| 374 | K | 39.4 | Very low | 41.6 | Very low | 142 Ų | 142 | 118.6 Ų | 118.6 | 62% | 0.617 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -76.6 | -23.1 | 178.2 | -157.4 | 172.5 | -176.1 | 179.6 | 0 | 113.8 | F370 K372 Y376 | F370-K374 WeakPolarHBondContact O-CB 3.35Å; F370-K374 PolarHBondContact O-N 3.48Å; K372-K374 VanDerWaalsContact C-N 3.29Å; K372-K374 PolarHBondContact O-N 2.91Å; K374-Y376 VanDerWaalsContact C-N 3.35Å |
| 375 | N | 37.8 | Very low | 40.7 | Very low | 131 Ų | 131 | 122.6 Ų | 122.6 | 70% | 0.701 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -7.7 | 175.6 | -82.5 | -18 | 0 | 0 | 0 | 114.1 | K372 | K372-N375 PolarHBondContact O-N 3.28Š|
| 376 | Y | 37.8 | Very low | 39.7 | Very low | 197 Ų | 197 | 120.3 Ų | 120.3 | 77% | 0.773 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -95.6 | -8.6 | 170.4 | -69.6 | -77.3 | 0 | 0 | 0 | 113.3 | K372 K374 | K372-Y376 WeakPolarHBondContact O-CD2 3.33Å; K374-Y376 VanDerWaalsContact C-N 3.35Å |
| 377 | L | 39.6 | Very low | 38.5 | Very low | 153 Ų | 153 | 122.3 Ų | 122.3 | 80% | 0.801 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -105.6 | -3.1 | -178.1 | -106.3 | 166.1 | 0 | 0 | 0 | 114.1 | ||
| 378 | L | 41 | Very low | 37.2 | Very low | 131 Ų | 131 | 126.6 Ų | 126.6 | 69% | 0.686 | 70% | 0.702 | S | S | * | * | trans | -132.3 | 77.4 | 173.5 | -92.6 | 147.8 | 0 | 0 | 0 | 107.4 | S380 | L378-S380 PolarHBondContact O-N 3.26Å; L378-S380 VanDerWaalsContact O-N 3.13Å | ||
| 379 | G | 29.3 | Very low | 35.9 | Very low | 73 Ų | 73 | 129.4 Ų | 129.4 | 75% | 0.753 | 71% | 0.714 | S | S | * | * | trans | -60.4 | 110 | 162.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | D381 | G379-D381 PolarHBondContact O-N 3.14Š| ||
| 380 | S | 32.5 | Very low | 34.8 | Very low | 105 Ų | 105 | 135.6 Ų | 135.6 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -76.2 | 109.4 | 164.4 | -170.2 | 0 | 0 | 0 | 0 | 106.6 | L378 N382 | L378-S380 PolarHBondContact O-N 3.26Å; L378-S380 VanDerWaalsContact O-N 3.13Å; S380-N382 PolarHBondContact O-N 3.11Å | ||
| 381 | D | 32.5 | Very low | 33.7 | Very low | 154 Ų | 154 | 132.6 Ų | 132.6 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | -60.5 | 117.2 | 159.4 | -76.1 | -32.5 | 0 | 0 | 0 | 108.1 | G379 | G379-D381 PolarHBondContact O-N 3.14Š| ||
| 382 | N | 33.3 | Very low | 32.8 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 86% | 0.861 | 77% | 0.768 | S | S | * | * | trans | -162.5 | 103.9 | 154.4 | -93.4 | -22.2 | 0 | 0 | 0 | 106.8 | S380 | S380-N382 PolarHBondContact O-N 3.11Š| ||
| 383 | G | 28 | Very low | 32 | Very low | 75 Ų | 75 | 136.5 Ų | 136.5 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 175.7 | 97.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 384 | L | 27.3 | Very low | 31.3 | Very low | 169 Ų | 169 | 140.9 Ų | 140.9 | 89% | 0.885 | 80% | 0.795 | S | S | * | * | trans | 87.9 | 102.8 | 140.7 | -130.8 | 81.4 | 0 | 0 | 0 | 119.5 | ||||
| 385 | L | 29.3 | Very low | 31.6 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | trans | -56.8 | 139.1 | 150.9 | -87.2 | 155.1 | 0 | 0 | 0 | 111.6 | ||||
| 386 | L | 27.2 | Very low | 31.2 | Very low | 151 Ų | 151 | 141.1 Ų | 141.1 | 79% | 0.791 | 80% | 0.803 | S | S | * | * | trans | -172 | 128.4 | 131.5 | -97.3 | 169.9 | 0 | 0 | 0 | 112.2 | ||||
| 387 | T | 28.1 | Very low | 30.6 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 62% | 0.62 | 80% | 0.804 | S | S | * | * | trans | 63.8 | 110.4 | 150.2 | 45.5 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 388 | E | 28.2 | Very low | 30 | Very low | 184 Ų | 184 | 140.3 Ų | 140.3 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | 79.9 | 125.4 | 105.2 | -75 | 177.3 | 146.9 | 0 | 0 | 111.8 | |||||
| 389 | D | 27.9 | Very low | 29.4 | Very low | 154 Ų | 154 | 142.1 Ų | 142.1 | 82% | 0.824 | 80% | 0.802 | S | S | * | * | -164 | 161.9 | 51.8 | -165.7 | 11.8 | 0 | 0 | 0 | 111.6 | |||||
| 390 | Q | 26.3 | Very low | 29.4 | Very low | 190 Ų | 190 | 145.6 Ų | 145.6 | 89% | 0.888 | 80% | 0.803 | S | S | * | * | trans | -73.6 | 152.4 | -176.7 | -75 | 174.1 | -40.6 | 0 | 0 | 114.2 | ||||
| 391 | G | 27.7 | Very low | 29.3 | Very low | 82 Ų | 82 | 150 Ų | 150 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | -171 | 90.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 392 | E | 29.5 | Very low | 29.4 | Very low | 209 Ų | 209 | 151.4 Ų | 151.4 | 98% | 0.977 | 82% | 0.816 | S | S | * | * | trans | -81.9 | 139.7 | -178.9 | -159.4 | 171.5 | -155.7 | 0 | 0 | 110.9 | ||||
| 393 | G | 27.6 | Very low | 29.3 | Very low | 78 Ų | 78 | 155 Ų | 155 | 80% | 0.804 | 82% | 0.819 | S | S | * | * | trans | 177.2 | 102.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 394 | D | 27.6 | Very low | 29.4 | Very low | 155 Ų | 155 | 160 Ų | 160 | 83% | 0.829 | 82% | 0.823 | S | S | * | * | trans | -90.6 | -173.7 | -179.5 | -152.6 | 23.8 | 0 | 0 | 0 | 110.8 | ||||
| 395 | P | 44.9 | Very low | 29.6 | Very low | 98 Ų | 98 | 159.3 Ų | 159.3 | 64% | 0.636 | 82% | 0.819 | S | S | * | * | -116 | 167.6 | -94 | 35.4 | -19.8 | 0 | 0 | 0 | 113.7 | |||||
| 396 | E | 28.6 | Very low | 29.8 | Very low | 180 Ų | 180 | 159.9 Ų | 159.9 | 84% | 0.841 | 82% | 0.818 | S | S | * | * | trans | 170.6 | 144.5 | 134.5 | -98.4 | -176.2 | -179.1 | 0 | 0 | 114 | ||||
| 397 | R | 26.9 | Very low | 30 | Very low | 212 Ų | 212 | 160.1 Ų | 160.1 | 80% | 0.8 | 82% | 0.819 | S | S | * | * | trans | 90.7 | 115.5 | 147.6 | -99.7 | -175.6 | 151.3 | 152.3 | 0.8 | 123 | ||||
| 398 | D | 27 | Very low | 30.2 | Very low | 120 Ų | 120 | 163.3 Ų | 163.3 | 64% | 0.642 | 83% | 0.832 | S | S | * | * | trans | 72.8 | 122.3 | 132.6 | -73.4 | -28.6 | 0 | 0 | 0 | 122.5 | ||||
| 399 | Q | 28.6 | Very low | 30.5 | Very low | 169 Ų | 169 | 164.2 Ų | 164.2 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | trans | 71.7 | 122 | 142.8 | -78.4 | 179 | -5.4 | 0 | 0 | 121.4 | ||||
| 400 | N | 28.8 | Very low | 30.7 | Very low | 147 Ų | 147 | 164.5 Ų | 164.5 | 79% | 0.786 | 84% | 0.835 | S | S | * | * | trans | 39.1 | 108.1 | 138.8 | -69.5 | -11.9 | 0 | 0 | 0 | 117.5 | ||||
| 401 | Q | 30.4 | Very low | 31.2 | Very low | 198 Ų | 198 | 160.4 Ų | 160.4 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -151.1 | 119.8 | 132.4 | -114.3 | 161.7 | 22.4 | 0 | 0 | 113.3 | ||||
| 402 | M | 33.5 | Very low | 31.4 | Very low | 183 Ų | 183 | 164.3 Ų | 164.3 | 90% | 0.901 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 144.2 | 172.7 | -140.1 | 168.2 | -176.3 | 0 | 0 | 108.3 | E404 | M402-E404 PolarHBondContact O-N 2.94Š|
| 403 | Y | 32.4 | Very low | 31.5 | Very low | 236 Ų | 236 | 159.9 Ų | 159.9 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 121.8 | 174.8 | -75.8 | -95.7 | 0 | 0 | 0 | 110.6 | ||
| 404 | E | 30.5 | Very low | 31.7 | Very low | 181 Ų | 181 | 164.4 Ų | 164.4 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 128.1 | 177.7 | -159.1 | 172.3 | -159.4 | 0 | 0 | 110.1 | M402 | M402-E404 PolarHBondContact O-N 2.94Š|
| 405 | N | 30.3 | Very low | 31.9 | Very low | 153 Ų | 153 | 162.2 Ų | 162.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -99.7 | 111.4 | -177 | -154.6 | 12 | 0 | 0 | 0 | 107.6 | L407 | N405-L407 VanDerWaalsContact C-N 3.33Å; N405-L407 PolarHBondContact O-N 3.38Å | ||
| 406 | Q | 32.9 | Very low | 31.1 | Very low | 176 Ų | 176 | 166.9 Ų | 166.9 | 82% | 0.822 | 81% | 0.814 | S | S | * | * | trans | -84.7 | 66.3 | -173.9 | -68.2 | -169.6 | 16.7 | 0 | 0 | 113.3 | ||||
| 407 | L | 32.9 | Very low | 31.2 | Very low | 156 Ų | 156 | 162.9 Ų | 162.9 | 82% | 0.817 | 81% | 0.812 | S | S | * | * | trans | -140.1 | 83.4 | 160.9 | -108.4 | 106.6 | 0 | 0 | 0 | 108.6 | N405 | N405-L407 VanDerWaalsContact C-N 3.33Å; N405-L407 PolarHBondContact O-N 3.38Å | ||
| 408 | D | 32 | Very low | 31.3 | Very low | 169 Ų | 169 | 157.9 Ų | 157.9 | 90% | 0.904 | 82% | 0.816 | S | S | * | * | trans | -176.9 | 116.3 | 144.1 | -94.1 | -15.6 | 0 | 0 | 0 | 106.9 | ||||
| 409 | K | 34.6 | Very low | 31.3 | Very low | 203 Ų | 203 | 155.7 Ų | 155.7 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -143.8 | 95.2 | 176.3 | -151.7 | -177.2 | -168 | 178.6 | 0 | 108.5 | ||||
| 410 | D | 32.5 | Very low | 31.3 | Very low | 159 Ų | 159 | 155.4 Ų | 155.4 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | -146.6 | 138.2 | 161 | -80.1 | -30 | 0 | 0 | 0 | 103.6 | ||||
| 411 | V | 36.3 | Very low | 31.2 | Very low | 105 Ų | 105 | 153.6 Ų | 153.6 | 64% | 0.636 | 82% | 0.823 | S | S | * | * | cis | -177.3 | 156.1 | 15.9 | 142.8 | 0 | 0 | 0 | 0 | 103.9 | V413 | V411-V413 HydrophobicContact CG1-CG2 3.89Š| ||
| 412 | D | 31.5 | Very low | 31 | Very low | 163 Ų | 163 | 147.6 Ų | 147.6 | 87% | 0.872 | 81% | 0.814 | S | S | * | * | trans | -158.6 | 116.4 | 152.8 | -84.2 | -38.8 | 0 | 0 | 0 | 107.3 | ||||
| 413 | V | 32.6 | Very low | 30.8 | Very low | 117 Ų | 117 | 146.1 Ų | 146.1 | 71% | 0.709 | 82% | 0.815 | S | S | * | * | 73.4 | 112.5 | 56.7 | -176.8 | 0 | 0 | 0 | 0 | 114.8 | V411 | V411-V413 HydrophobicContact CG1-CG2 3.89Š| |||
| 414 | E | 31.4 | Very low | 30.6 | Very low | 172 Ų | 172 | 138.6 Ų | 138.6 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | trans | -177.8 | 143.5 | 130.6 | -99.9 | -176 | 178.2 | 0 | 0 | 106.7 | ||||
| 415 | T | 30.3 | Very low | 30.5 | Very low | 109 Ų | 109 | 134 Ų | 134 | 67% | 0.669 | 81% | 0.811 | S | S | * | * | cis | -165.2 | 155 | 33.5 | -13.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 416 | K | 29.8 | Very low | 30.3 | Very low | 197 Ų | 197 | 137 Ų | 137 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | 76.9 | 121.2 | 145.1 | -82.4 | 170.5 | -178.7 | 172.8 | 0 | 123 | ||||
| 417 | A | 29.3 | Very low | 30.1 | Very low | 96 Ų | 96 | 138.3 Ų | 138.3 | 79% | 0.793 | 81% | 0.808 | S | S | * | * | 107.6 | 114.3 | 126.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 418 | A | 29.9 | Very low | 29.7 | Very low | 107 Ų | 107 | 136.2 Ų | 136.2 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | trans | 65.9 | 125.2 | 136.2 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 419 | G | 27.8 | Very low | 29.7 | Very low | 74 Ų | 74 | 139.2 Ų | 139.2 | 76% | 0.763 | 80% | 0.801 | S | S | * | * | 110.2 | 105 | 123.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 420 | D | 27.2 | Very low | 29.2 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | 77.7 | 165.4 | 131.2 | -137.9 | 23 | 0 | 0 | 0 | 121.2 | ||||
| 421 | C | 26.6 | Very low | 29.3 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 74% | 0.736 | 78% | 0.784 | S | S | * | * | trans | -101.2 | 171.5 | -140.7 | 48.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 422 | G | 27.1 | Very low | 28.9 | Very low | 71 Ų | 71 | 136.5 Ų | 136.5 | 73% | 0.732 | 79% | 0.791 | S | S | * | * | trans | 118.9 | 114.2 | 145.1 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 423 | V | 29.5 | Very low | 28.8 | Very low | 152 Ų | 152 | 136.7 Ų | 136.7 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | 36.2 | 121.1 | 130.7 | -172.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 424 | G | 27.3 | Very low | 28.6 | Very low | 79 Ų | 79 | 141.3 Ų | 141.3 | 81% | 0.814 | 79% | 0.792 | S | S | * | * | 82.6 | 130.5 | 129.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 425 | G | 27.9 | Very low | 28.5 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 88% | 0.876 | 80% | 0.796 | S | S | * | * | trans | 159.9 | 118 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 426 | R | 26.6 | Very low | 28.5 | Very low | 214 Ų | 214 | 141.5 Ų | 141.5 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | trans | -91.5 | 161.1 | -176.7 | -152.9 | -175.3 | -153 | -144.1 | 7.2 | 110.5 | ||||
| 427 | R | 28.5 | Very low | 28.7 | Very low | 204 Ų | 204 | 140.8 Ų | 140.8 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | trans | 84.2 | 147.8 | 157.1 | -61.1 | -168.7 | -146.2 | -165 | 4.7 | 116.4 | ||||
| 428 | T | 25.7 | Very low | 28.7 | Very low | 113 Ų | 113 | 141.8 Ų | 141.8 | 69% | 0.693 | 80% | 0.795 | S | S | * | * | cis | -171.5 | 148.5 | 5.2 | 18.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 429 | W | 30.4 | Very low | 28.8 | Very low | 231 Ų | 231 | 144.9 Ų | 144.9 | 88% | 0.875 | 80% | 0.795 | S | S | * | * | trans | 2 | 136.5 | 148.9 | -60.5 | 80.7 | 0 | 0 | 0 | 120.2 | ||||
| 430 | D | 25.5 | Very low | 29 | Very low | 150 Ų | 150 | 149.1 Ų | 149.1 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | -160.4 | 150.5 | 111.1 | -147.5 | -2.6 | 0 | 0 | 0 | 113.4 | |||||
| 431 | S | 34 | Very low | 29.4 | Very low | 84 Ų | 84 | 148.9 Ų | 148.9 | 59% | 0.587 | 79% | 0.793 | S | S | * | * | trans | -110.1 | 139.8 | -175.2 | 40.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 432 | K | 28.5 | Very low | 29.9 | Very low | 177 Ų | 177 | 148.3 Ų | 148.3 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -179.4 | 140.7 | 161.7 | -102 | 168.8 | -177.6 | -178.1 | 0 | 106.9 | ||||
| 433 | E | 28.9 | Very low | 30.2 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | cis | -169.1 | 146 | 0.9 | -127.1 | 162.2 | -154.9 | 0 | 0 | 104.9 | ||||
| 434 | Y | 28.8 | Very low | 30.7 | Very low | 213 Ų | 213 | 152.7 Ų | 152.7 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -79.9 | 146.3 | 175.1 | -109.2 | -102.2 | 0 | 0 | 0 | 110.9 | ||||
| 435 | H | 28.6 | Very low | 30.9 | Very low | 190 Ų | 190 | 153.2 Ų | 153.2 | 88% | 0.88 | 78% | 0.784 | S | S | * | * | trans | -159.7 | 135.3 | 133.3 | -100.9 | -58.5 | 0 | 0 | 0 | 112.4 | ||||
| 436 | P | 29.8 | Very low | 31 | Very low | 95 Ų | 95 | 157.8 Ų | 157.8 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | trans | -97.2 | 150 | -175.1 | 37.2 | -31.2 | 0 | 0 | 0 | 112.8 | ||||
| 437 | L | 35 | Very low | 31.5 | Very low | 182 Ų | 182 | 154.9 Ų | 154.9 | 95% | 0.953 | 78% | 0.779 | S | S | * | * | trans | -96.8 | 114.1 | 172.9 | -79.7 | 165.3 | 0 | 0 | 0 | 111.3 | ||||
| 438 | T | 29 | Very low | 31.8 | Very low | 118 Ų | 118 | 152.3 Ų | 152.3 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | trans | -78 | 138.8 | 173.4 | -23.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 439 | I | 33 | Very low | 32.7 | Very low | 171 Ų | 171 | 155.9 Ų | 155.9 | 88% | 0.877 | 79% | 0.789 | S | S | * | * | trans | -111.6 | 117.1 | 157.1 | -63.7 | 176.7 | 0 | 0 | 0 | 107.4 | ||||
| 440 | Q | 31.9 | Very low | 33.2 | Very low | 164 Ų | 164 | 153.2 Ų | 153.2 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -82.9 | 142.9 | 174.2 | -88.2 | 173.6 | -20.6 | 0 | 0 | 111.1 | ||||
| 441 | N | 35.8 | Very low | 33.7 | Very low | 157 Ų | 157 | 153.1 Ų | 153.1 | 84% | 0.84 | 79% | 0.786 | S | S | * | * | trans | 76.5 | 83.5 | 160.9 | -59.3 | -15.7 | 0 | 0 | 0 | 118.5 | ||||
| 442 | A | 36.7 | Very low | 33.7 | Very low | 97 Ų | 97 | 158.6 Ų | 158.6 | 80% | 0.802 | 80% | 0.8 | S | S | * | * | trans | -135.2 | 112.2 | 145 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 443 | N | 33.9 | Very low | 34 | Very low | 155 Ų | 155 | 158.3 Ų | 158.3 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | -86.4 | 104.9 | 178.9 | -176.8 | 24.5 | 0 | 0 | 0 | 109.6 | ||||
| 444 | I | 38.1 | Very low | 34.2 | Very low | 161 Ų | 161 | 155.8 Ų | 155.8 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | trans | -142.6 | 117 | 167 | -55.1 | 179.3 | 0 | 0 | 0 | 108.7 | ||||
| 445 | T | 33 | Very low | 34.1 | Very low | 90 Ų | 90 | 150.1 Ų | 150.1 | 55% | 0.552 | 80% | 0.798 | S | S | * | * | trans | -87.6 | 136.9 | 172.1 | 47 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 446 | F | 29.4 | Very low | 34.2 | Very low | 180 Ų | 180 | 148.4 Ų | 148.4 | 79% | 0.789 | 80% | 0.795 | S | S | * | * | 168.1 | 124.2 | 108.2 | -85.9 | -66.1 | 0 | 0 | 0 | 113.8 | |||||
| 447 | I | 37.8 | Very low | 34.3 | Very low | 153 Ų | 153 | 151.3 Ų | 151.3 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | trans | 70.6 | 105.3 | 144 | -50.7 | 163.1 | 0 | 0 | 0 | 117.8 | ||||
| 448 | D | 33.8 | Very low | 34.1 | Very low | 150 Ų | 150 | 150.7 Ų | 150.7 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | -103.8 | 142.1 | 162.9 | -153.9 | -6.9 | 0 | 0 | 0 | 109.5 | E450 | D448-E450 PolarHBondContact O-N 2.79Š| ||
| 449 | E | 45 | Very low | 34.2 | Very low | 189 Ų | 189 | 153.7 Ų | 153.7 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.7 | 22.9 | -153.4 | -147.5 | 172.3 | -167.9 | 0 | 0 | 114.5 | ||
| 450 | E | 40.1 | Very low | 34 | Very low | 174 Ų | 174 | 153.5 Ų | 153.5 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | 8.6 | -168.8 | -67.9 | -164.6 | 161.1 | 0 | 0 | 116.7 | D448 | D448-E450 PolarHBondContact O-N 2.79Š|
| 451 | N | 37.2 | Very low | 34 | Very low | 148 Ų | 148 | 152.8 Ų | 152.8 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -107.5 | 36.3 | -178.8 | -149 | 22.7 | 0 | 0 | 0 | 115.6 | ||
| 452 | F | 33.1 | Very low | 33.7 | Very low | 200 Ų | 200 | 152.1 Ų | 152.1 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -124.6 | 7 | 178.1 | -123.7 | -84.1 | 0 | 0 | 0 | 116 | ||
| 453 | L | 35.5 | Very low | 33.4 | Very low | 171 Ų | 171 | 155.6 Ų | 155.6 | 90% | 0.895 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -133.8 | 1.1 | -173.5 | -76.1 | 177.8 | 0 | 0 | 0 | 118.4 | ||
| 454 | S | 32.8 | Very low | 33.1 | Very low | 113 Ų | 113 | 154.9 Ų | 154.9 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -163.1 | 76.3 | -179.9 | 57.4 | 0 | 0 | 0 | 0 | 114.8 | ||
| 455 | S | 27 | Very low | 32.7 | Very low | 94 Ų | 94 | 151.3 Ų | 151.3 | 66% | 0.657 | 79% | 0.791 | S | S | * | * | S | Bend | trans | 174.4 | 139.6 | 144.6 | 51.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 456 | N | 30.1 | Very low | 32.5 | Very low | 155 Ų | 155 | 154.7 Ų | 154.7 | 83% | 0.829 | 81% | 0.805 | S | S | * | * | trans | 102.6 | 23.9 | 179.4 | -48.9 | 2.2 | 0 | 0 | 0 | 114.8 | ||||
| 457 | L | 31.8 | Very low | 32.4 | Very low | 155 Ų | 155 | 153 Ų | 153 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | S | Bend | -75.7 | 128.4 | 124 | -130.6 | 86.4 | 0 | 0 | 0 | 106.1 | |||
| 458 | E | 30.5 | Very low | 32.1 | Very low | 169 Ų | 169 | 151.7 Ų | 151.7 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 84.6 | 103.7 | 164.8 | -61.6 | 172.1 | -172.8 | 0 | 0 | 118.8 | ||||
| 459 | E | 31.5 | Very low | 32 | Very low | 182 Ų | 182 | 148.9 Ų | 148.9 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | 165.7 | 120.7 | 123 | -89.1 | 178.7 | -178.5 | 0 | 0 | 106.9 | |||||
| 460 | L | 29 | Very low | 31.3 | Very low | 167 Ų | 167 | 149.3 Ų | 149.3 | 87% | 0.874 | 79% | 0.79 | S | S | * | * | -152.8 | 141.6 | 68.7 | -75.3 | 158.4 | 0 | 0 | 0 | 112.1 | |||||
| 461 | D | 31 | Very low | 30.7 | Very low | 148 Ų | 148 | 145.2 Ų | 145.2 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -87 | 163.7 | 168.1 | -90 | -31.7 | 0 | 0 | 0 | 112.5 | ||||
| 462 | D | 30.5 | Very low | 30.3 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 107.3 | 115.6 | 146.7 | -64.9 | -30.2 | 0 | 0 | 0 | 122.3 | ||||
| 463 | E | 30.3 | Very low | 30 | Very low | 169 Ų | 169 | 144.9 Ų | 144.9 | 79% | 0.79 | 78% | 0.783 | S | S | * | * | trans | 96.3 | 124.9 | 139 | -72.7 | -177.6 | 177.8 | 0 | 0 | 122.9 | ||||
| 464 | D | 28.2 | Very low | 29.5 | Very low | 141 Ų | 141 | 141.1 Ų | 141.1 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | 91 | 108 | 148.5 | -60.8 | -21.9 | 0 | 0 | 0 | 123.4 | ||||
| 465 | A | 29.4 | Very low | 29.2 | Very low | 86 Ų | 86 | 142.7 Ų | 142.7 | 71% | 0.711 | 77% | 0.769 | S | S | * | * | 60.1 | 119.4 | 121.2 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 466 | D | 27.9 | Very low | 29.1 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | 54.8 | 119.4 | 134.4 | -60.5 | -22.5 | 0 | 0 | 0 | 121.6 | ||||
| 467 | D | 28.8 | Very low | 29 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | 118.7 | 116.6 | 122.2 | -139.2 | 26.1 | 0 | 0 | 0 | 119.9 | |||||
| 468 | D | 29.7 | Very low | 28.7 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 68% | 0.679 | 76% | 0.761 | S | S | * | * | trans | 54.5 | 118.9 | 136.5 | -87.4 | -4.8 | 0 | 0 | 0 | 125.5 | ||||
| 469 | S | 31.9 | Very low | 28.5 | Very low | 91 Ų | 91 | 138.4 Ų | 138.4 | 64% | 0.636 | 76% | 0.761 | S | S | * | * | 55.7 | 130.8 | 106.8 | 101.5 | 0 | 0 | 0 | 0 | 121 | |||||
| 470 | K | 30.8 | Very low | 28.4 | Very low | 197 Ų | 197 | 137.3 Ų | 137.3 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | trans | 65 | 120.1 | 144.3 | -105.8 | 176.2 | 178.9 | 174 | 0 | 120 | ||||
| 471 | A | 28.2 | Very low | 28.3 | Very low | 89 Ų | 89 | 135.6 Ų | 135.6 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | trans | -8.5 | 130.4 | 140.9 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 472 | K | 27.6 | Very low | 28.1 | Very low | 190 Ų | 190 | 135.4 Ų | 135.4 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | trans | 89.6 | 120.3 | 131.2 | -101.9 | -175.2 | 175.1 | -177.4 | 0 | 119.4 | ||||
| 473 | I | 27.4 | Very low | 28 | Very low | 150 Ų | 150 | 136 Ų | 136 | 77% | 0.769 | 74% | 0.743 | S | S | * | * | trans | 111.3 | 137.9 | 135.5 | -62.1 | 157.1 | 0 | 0 | 0 | 115.9 | ||||
| 474 | S | 24.8 | Very low | 27.8 | Very low | 92 Ų | 92 | 133.6 Ų | 133.6 | 64% | 0.643 | 74% | 0.74 | S | S | * | * | trans | -82.9 | 170.6 | -164.7 | 49.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 475 | I | 27.5 | Very low | 27.7 | Very low | 146 Ų | 146 | 133.4 Ų | 133.4 | 75% | 0.749 | 74% | 0.739 | S | S | * | * | trans | 109.3 | 96.3 | 152.1 | -58.5 | 165.8 | 0 | 0 | 0 | 113.3 | ||||
| 476 | T | 24.9 | Very low | 27.7 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 69% | 0.693 | 74% | 0.736 | S | S | * | * | 74.3 | 128.1 | 94.7 | -7.9 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 477 | T | 27 | Very low | 27.7 | Very low | 124 Ų | 124 | 135.2 Ų | 135.2 | 76% | 0.761 | 73% | 0.73 | S | S | * | * | trans | 63.6 | 153.3 | 158.4 | 56.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 478 | C | 26.1 | Very low | 27.7 | Very low | 101 Ų | 101 | 134.5 Ų | 134.5 | 68% | 0.682 | 72% | 0.722 | S | S | * | * | cis | -173.6 | 155.3 | -17.2 | -95 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 479 | D | 27 | Very low | 27.7 | Very low | 146 Ų | 146 | 133.9 Ų | 133.9 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | trans | 71.3 | 135.3 | 149.7 | -68.9 | -28 | 0 | 0 | 0 | 125 | ||||
| 480 | E | 27.9 | Very low | 27.6 | Very low | 159 Ų | 159 | 137.4 Ų | 137.4 | 74% | 0.743 | 73% | 0.725 | S | S | * | * | trans | 77.7 | 118 | 134.9 | -79.5 | -167.7 | 151 | 0 | 0 | 124.4 | ||||
| 481 | N | 27.2 | Very low | 27.4 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | 66.2 | 145.3 | 121.3 | -74.5 | -22.7 | 0 | 0 | 0 | 123.9 | |||||
| 482 | I | 27.7 | Very low | 27.3 | Very low | 144 Ų | 144 | 132.9 Ų | 132.9 | 74% | 0.738 | 71% | 0.712 | S | S | * | * | trans | 101 | 102.5 | 148.7 | -68.8 | 150.4 | 0 | 0 | 0 | 119.6 | ||||
| 483 | E | 26.9 | Very low | 27.3 | Very low | 158 Ų | 158 | 131.8 Ų | 131.8 | 74% | 0.738 | 71% | 0.71 | S | S | * | * | 56 | 131.7 | 122.7 | -73.2 | -173.9 | 148.8 | 0 | 0 | 124.9 | |||||
| 484 | T | 27.3 | Very low | 27.3 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 72% | 0.718 | 71% | 0.709 | S | S | * | * | trans | 73.7 | 144.1 | 135.2 | 65.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 485 | N | 26.3 | Very low | 27.6 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | cis | -166.1 | 154.5 | 18.8 | -146.2 | -10.9 | 0 | 0 | 0 | 109.7 | ||||
| 486 | S | 27.9 | Very low | 27.6 | Very low | 93 Ų | 93 | 129.6 Ų | 129.6 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | trans | 63.4 | 139.4 | 143.3 | 66.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 487 | R | 29 | Very low | 27.8 | Very low | 192 Ų | 192 | 129.6 Ų | 129.6 | 73% | 0.725 | 72% | 0.724 | S | S | * | * | cis | -177.2 | 145.8 | 8.8 | -117 | 172.2 | 125.2 | 99.2 | 14.5 | 107 | ||||
| 488 | E | 29.3 | Very low | 27.9 | Very low | 129 Ų | 129 | 129.7 Ų | 129.7 | 60% | 0.603 | 72% | 0.724 | S | S | * | * | trans | 52.6 | 139.6 | 133.7 | -69.5 | 169.8 | 179.3 | 0 | 0 | 119.3 | ||||
| 489 | D | 29 | Very low | 28 | Very low | 114 Ų | 114 | 133.6 Ų | 133.6 | 61% | 0.61 | 73% | 0.73 | S | S | * | * | cis | -179.3 | 155.2 | -5.7 | -118.3 | -11.4 | 0 | 0 | 0 | 106.8 | ||||
| 490 | Q | 28.9 | Very low | 28.1 | Very low | 164 Ų | 164 | 132.2 Ų | 132.2 | 77% | 0.766 | 73% | 0.726 | S | S | * | * | trans | 67.9 | 142.7 | 140.2 | -69.8 | 170.8 | 36.4 | 0 | 0 | 118.8 | ||||
| 491 | S | 27.3 | Very low | 28.2 | Very low | 94 Ų | 94 | 129.3 Ų | 129.3 | 66% | 0.657 | 72% | 0.724 | S | S | * | * | cis | -172.6 | 137 | 11.2 | 38.5 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 492 | S | 27.1 | Very low | 28.3 | Very low | 97 Ų | 97 | 130.7 Ų | 130.7 | 68% | 0.678 | 73% | 0.731 | S | S | * | * | 69.8 | 147.1 | 104.6 | 101.4 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 493 | E | 26.9 | Very low | 28.3 | Very low | 167 Ų | 167 | 127 Ų | 127 | 78% | 0.78 | 73% | 0.729 | S | S | * | * | cis | -172.9 | 134.9 | 2.6 | -117.3 | 165 | 169.2 | 0 | 0 | 104.4 | ||||
| 494 | C | 27.1 | Very low | 28.5 | Very low | 109 Ų | 109 | 124.7 Ų | 124.7 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | 65.3 | 129.4 | 107 | -86.4 | 0 | 0 | 0 | 0 | 120 | |||||
| 495 | D | 31.3 | Very low | 28.7 | Very low | 160 Ų | 160 | 127.4 Ų | 127.4 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | trans | 80.9 | 123.3 | 141.6 | -64.2 | -10.4 | 0 | 0 | 0 | 123.8 | ||||
| 496 | G | 28.1 | Very low | 29.3 | Very low | 74 Ų | 74 | 129.1 Ų | 129.1 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | 118.4 | 112.3 | 115.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 497 | S | 27.9 | Very low | 29.6 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 78% | 0.783 | 75% | 0.747 | S | S | * | * | trans | 77.4 | 105.3 | 130.2 | -178.8 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 498 | V | 30.3 | Very low | 30.2 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 76% | 0.764 | 74% | 0.744 | S | S | * | * | 54.5 | 119.8 | 114.9 | -179 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 499 | F | 26.5 | Very low | 30.7 | Very low | 184 Ų | 184 | 123.5 Ų | 123.5 | 81% | 0.807 | 74% | 0.739 | S | S | * | * | trans | 96.2 | 118.9 | 145.9 | -101.8 | -120.6 | 0 | 0 | 0 | 124.4 | ||||
| 500 | T | 30.7 | Very low | 31.2 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 71% | 0.712 | 75% | 0.746 | S | S | * | * | trans | 83.6 | 119.5 | 140.2 | 47.9 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 501 | S | 30 | Very low | 32.2 | Very low | 99 Ų | 99 | 126.3 Ų | 126.3 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | trans | 81.3 | 127.1 | 134.5 | -113.1 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 502 | D | 29 | Very low | 33.2 | Very low | 158 Ų | 158 | 128 Ų | 128 | 85% | 0.845 | 74% | 0.737 | S | S | * | * | trans | 81.9 | 125.2 | 142.3 | -67.5 | 9 | 0 | 0 | 0 | 120.9 | ||||
| 503 | G | 28 | Very low | 34.3 | Very low | 67 Ų | 67 | 129.2 Ų | 129.2 | 69% | 0.691 | 74% | 0.735 | S | S | * | * | trans | 114.8 | 97.1 | 137.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 504 | S | 30.5 | Very low | 35.6 | Very low | 110 Ų | 110 | 125 Ų | 125 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | 54.6 | 121.6 | 151.1 | 67.9 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 505 | E | 32.1 | Very low | 36.7 | Very low | 174 Ų | 174 | 126.3 Ų | 126.3 | 81% | 0.813 | 72% | 0.716 | S | S | * | * | -178.6 | 125 | 114.6 | -97.2 | 171.3 | -173.6 | 0 | 0 | 112.7 | |||||
| 506 | H | 38.7 | Very low | 37.5 | Very low | 172 Ų | 172 | 125.4 Ų | 125.4 | 80% | 0.796 | 71% | 0.707 | S | S | * | * | trans | 31.8 | 92.1 | 143.9 | -65.3 | 81.3 | 0 | 0 | 0 | 119.4 | H508 | H506-H508 PolarHBondContact O-N 3.11Š| ||
| 507 | G | 32.8 | Very low | 38.3 | Very low | 82 Ų | 82 | 131.2 Ų | 131.2 | 85% | 0.845 | 71% | 0.707 | S | S | * | * | trans | -80.5 | 109.5 | 157 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 508 | H | 42.8 | Very low | 39.2 | Very low | 144 Ų | 144 | 130.6 Ų | 130.6 | 67% | 0.667 | 70% | 0.699 | S | S | * | * | trans | -66.1 | 130.7 | 171.2 | -84 | -70 | 0 | 0 | 0 | 111 | H506 | H506-H508 PolarHBondContact O-N 3.11Š| ||
| 509 | S | 39.3 | Very low | 40 | Very low | 70 Ų | 70 | 133.2 Ų | 133.2 | 49% | 0.49 | 70% | 0.7 | S | S | . | * | trans | -66 | 140.4 | 173.5 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | E511 K512 | S509-E511 PolarHBondContact O-N 3.02Å; S509-K512 PolarHBondContact O-N 3.05Å | ||
| 510 | Y | 40.5 | Very low | 40.9 | Very low | 193 Ų | 193 | 131.8 Ų | 131.8 | 76% | 0.757 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.1 | -22.5 | 175.4 | -168.1 | -96.9 | 0 | 0 | 0 | 113.7 | K512 L513 V514 | Y510-K512 VanDerWaalsContact C-N 3.31Å; Y510-K512 PolarHBondContact O-N 3.41Å; Y510-L513 PolarHBondContact O-N 3.43Å; Y510-V514 HydrophobicContact CD1-CG2 4.32Å; Y510-V514 HydrophobicContact CE1-CG2 4.22Å |
| 511 | E | 50.1 | Low | 41.6 | Very low | 145 Ų | 145 | 133.4 Ų | 133.4 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -65 | -29 | 175.9 | -77.3 | 169.4 | 145.5 | 0 | 0 | 113.8 | S509 L513 V514 E515 | S509-E511 PolarHBondContact O-N 3.02Å; E511-L513 PolarHBondContact O-N 3.24Å; E511-V514 PolarHBondContact O-N 3.3Å; E511-E515 PolarHBondContact O-N 3.24Å |
| 512 | K | 46.8 | Very low | 42.5 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 56% | 0.561 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -76.8 | -22.8 | -177.6 | -148.2 | 177.5 | -177.6 | -173.4 | 0 | 113.4 | S509 Y510 | S509-K512 PolarHBondContact O-N 3.05Å; Y510-K512 VanDerWaalsContact C-N 3.31Å; Y510-K512 PolarHBondContact O-N 3.41Å |
| 513 | L | 50.2 | Low | 43.3 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 64% | 0.639 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -81.8 | -22.8 | 174 | -76.3 | 166 | 0 | 0 | 0 | 112.6 | Y510 E511 | Y510-L513 PolarHBondContact O-N 3.43Å; E511-L513 PolarHBondContact O-N 3.24Å |
| 514 | V | 54.5 | Low | 44.2 | Very low | 78 Ų | 78 | 139.4 Ų | 139.4 | 47% | 0.473 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -82.6 | -30.1 | 177.6 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | Y510 E511 T518 | Y510-V514 HydrophobicContact CD1-CG2 4.32Å; Y510-V514 HydrophobicContact CE1-CG2 4.22Å; E511-V514 PolarHBondContact O-N 3.3Å; V514-T518 PolarHBondContact O-OG1 3.19Å |
| 515 | E | 50.4 | Low | 44.6 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 64% | 0.64 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -75.8 | -23.4 | 173.6 | -74.7 | -171.2 | 159.9 | 0 | 0 | 113.8 | E511 T518 | E511-E515 PolarHBondContact O-N 3.24Å; E515-T518 WeakPolarHBondContact CA-OG1 3.47Å; E515-T518 PolarHBondContact O-OG1 3.19Å |
| 516 | E | 47.9 | Very low | 45.3 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 66% | 0.659 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -79.9 | -29.2 | 176.7 | -159.2 | 150.2 | -153.9 | 0 | 0 | 111.8 | T518 | E516-T518 PolarHBondContact O-N 3.1Å |
| 517 | Y | 44.5 | Very low | 45.6 | Very low | 197 Ų | 197 | 140.5 Ų | 140.5 | 77% | 0.773 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -76.4 | -16.4 | 173.5 | -117.2 | -85.9 | 0 | 0 | 0 | 114.5 | ||
| 518 | T | 47.8 | Very low | 46.3 | Very low | 99 Ų | 99 | 143.7 Ų | 143.7 | 61% | 0.607 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | -2.8 | -179.4 | 36.5 | 0 | 0 | 0 | 0 | 113.7 | V514 E515 E516 | V514-T518 PolarHBondContact O-OG1 3.19Å; E515-T518 WeakPolarHBondContact CA-OG1 3.47Å; E515-T518 PolarHBondContact O-OG1 3.19Å; E516-T518 PolarHBondContact O-N 3.1Å |
| 519 | K | 46.4 | Very low | 46.5 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 78% | 0.783 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -99.1 | -8.9 | 177 | -90.6 | 179.5 | 177.9 | 169.5 | 0 | 115.3 | ||
| 520 | E | 46.4 | Very low | 47 | Very low | 154 Ų | 154 | 148.3 Ų | 148.3 | 72% | 0.72 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -90.2 | -9.6 | 178.6 | -80.9 | -175 | 153.3 | 0 | 0 | 115 | ||
| 521 | D | 45.6 | Very low | 47.4 | Very low | 150 Ų | 150 | 145.3 Ų | 145.3 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 14.4 | -177.1 | -100.9 | -9.5 | 0 | 0 | 0 | 115 | ||
| 522 | N | 49.2 | Very low | 47.2 | Very low | 150 Ų | 150 | 145.4 Ų | 145.4 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.1 | 39.8 | 176.5 | -79 | -54.8 | 0 | 0 | 0 | 114 | ||
| 523 | T | 45.5 | Very low | 47.2 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -142.9 | 130.8 | 161.9 | 38.8 | 0 | 0 | 0 | 0 | 110.6 | ||
| 524 | E | 47.3 | Very low | 47 | Very low | 186 Ų | 186 | 148.7 Ų | 148.7 | 87% | 0.869 | 77% | 0.768 | S | S | * | * | trans | 87.6 | 87.3 | 172.6 | -56.4 | -168 | 160.6 | 0 | 0 | 118.1 | ||||
| 525 | S | 38.6 | Very low | 46.3 | Very low | 198 Ų | 198 | 155.1 Ų | 155.1 | 100% | 1.385 | 79% | 0.794 | S | S | * | * | 166.2 | 0 | 113.6 | -66.4 | 0 | 0 | 0 | 0 | 111.6 |
Retrieved 525 of 525 residues in 120.3 ms
(Link to these results)