| 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 | 31.9 | Very low | 40.9 | Very low | 242 Ų | 242 | 130 Ų | 130 | 100% | 1.192 | 74% | 0.742 | S | S | * | * | 0 | 100.6 | 0 | -63.4 | -56 | -173.2 | 0 | 0 | 108.4 | |||||
| 2 | A | 30.5 | Very low | 42.9 | Very low | 96 Ų | 96 | 122.3 Ų | 122.3 | 79% | 0.793 | 70% | 0.696 | S | S | * | * | trans | -107.4 | 117 | 174.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | V4 | A2-V4 PolarHBondContact O-N 3.3Š| ||
| 3 | S | 34.7 | Very low | 44 | Very low | 114 Ų | 114 | 120.8 Ų | 120.8 | 80% | 0.797 | 69% | 0.694 | S | S | * | * | trans | -73.5 | 108.7 | -176.6 | -56 | 0 | 0 | 0 | 0 | 110.4 | T5 | S3-T5 PolarHBondContact O-N 2.82Š| ||
| 4 | V | 36.2 | Very low | 45.2 | Very low | 107 Ų | 107 | 120.6 Ų | 120.6 | 65% | 0.648 | 69% | 0.689 | S | S | * | * | trans | -74.7 | 91.3 | 173.9 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | A2 H6 | A2-V4 PolarHBondContact O-N 3.3Å; V4-H6 PolarHBondContact O-N 3.1Å; V4-H6 VanDerWaalsContact O-N 3.07Å | ||
| 5 | T | 36.6 | Very low | 46.8 | Very low | 118 Ų | 118 | 122.6 Ų | 122.6 | 72% | 0.724 | 70% | 0.697 | S | S | * | * | trans | -71.6 | 98 | 165.9 | 51.1 | 0 | 0 | 0 | 0 | 108.6 | S3 S7 | S3-T5 PolarHBondContact O-N 2.82Å; T5-S7 PolarHBondContact O-N 3.3Å | ||
| 6 | H | 32.9 | Very low | 48.8 | Very low | 172 Ų | 172 | 122.6 Ų | 122.6 | 80% | 0.796 | 69% | 0.689 | S | S | * | * | trans | -67.8 | 76.2 | 170.6 | -71.9 | -83.5 | 0 | 0 | 0 | 110.6 | V4 S8 | V4-H6 PolarHBondContact O-N 3.1Å; V4-H6 VanDerWaalsContact O-N 3.07Å; H6-S8 PolarHBondContact O-N 3.25Å; H6-S8 VanDerWaalsContact O-N 3.09Å | ||
| 7 | S | 38.8 | Very low | 50.8 | Low | 101 Ų | 101 | 120.4 Ų | 120.4 | 71% | 0.706 | 67% | 0.67 | S | S | * | * | trans | -72.2 | 99.9 | 166.7 | 55.9 | 0 | 0 | 0 | 0 | 108.6 | T5 E9 | T5-S7 PolarHBondContact O-N 3.3Å; S7-E9 VanDerWaalsContact C-N 3.28Å; S7-E9 PolarHBondContact O-N 2.99Å | ||
| 8 | S | 46 | Very low | 52.9 | Low | 91 Ų | 91 | 121.9 Ų | 121.9 | 64% | 0.636 | 67% | 0.671 | S | S | * | * | trans | -63.1 | 93.2 | 166.3 | 49.9 | 0 | 0 | 0 | 0 | 108.9 | H6 R75 | H6-S8 PolarHBondContact O-N 3.25Å; H6-S8 VanDerWaalsContact O-N 3.09Å; S8-R75 PolarHBondContact O-NH1 2.81Å | ||
| 9 | E | 49.1 | Very low | 54.8 | Low | 175 Ų | 175 | 119.7 Ų | 119.7 | 82% | 0.818 | 67% | 0.666 | S | S | * | * | trans | -52.1 | 120.6 | -173.8 | -160.6 | 168.9 | -155.5 | 0 | 0 | 109.6 | S7 E11 | S7-E9 VanDerWaalsContact C-N 3.28Å; S7-E9 PolarHBondContact O-N 2.99Å; E9-E11 PolarHBondContact O-N 3.41Å | ||
| 10 | P | 55.2 | Low | 56.5 | Low | 26 Ų | 26 | 116.1 Ų | 116.1 | 17% | 0.169 | 64% | 0.641 | C | S | . | * | trans | -68.4 | 127 | 174.1 | 17.9 | -16.8 | 0 | 0 | 0 | 108.3 | I12 W77 | P10-I12 HydrophobicContact CB-CG1 4.34Å; P10-I12 HydrophobicContact CG-CD1 4.32Å; P10-I12 HydrophobicContact CG-CG1 4.38Å; P10-I12 PolarHBondContact O-N 3.17Å; P10-W77 HydrophobicContact CB-CZ2 4.33Å; P10-W77 HydrophobicContact CG-CH2 3.2Å; P10-W77 HydrophobicContact CG-CZ2 3.33Å; P10-W77 HydrophobicContact CG-CZ3 4.38Å | ||
| 11 | E | 58.6 | Low | 58.1 | Low | 188 Ų | 188 | 115.3 Ų | 115.3 | 88% | 0.879 | 64% | 0.635 | S | S | * | * | trans | -66 | 79 | 164.6 | -167 | 177.3 | -174.3 | 0 | 0 | 109.3 | E9 | E9-E11 PolarHBondContact O-N 3.41Š| ||
| 12 | I | 64.3 | Low | 60.9 | Low | 38 Ų | 38 | 106.4 Ų | 106.4 | 20% | 0.195 | 60% | 0.6 | C | S | . | * | trans | -66.5 | 131.8 | 166.4 | -63.8 | 151.7 | 0 | 0 | 0 | 106.1 | P10 D14 K17 W20 | P10-I12 HydrophobicContact CB-CG1 4.34Å; P10-I12 HydrophobicContact CG-CD1 4.32Å; P10-I12 HydrophobicContact CG-CG1 4.38Å; P10-I12 PolarHBondContact O-N 3.17Å; I12-D14 PolarHBondContact O-N 3Å; I12-D14 VanDerWaalsContact O-N 3.11Å; I12-K17 HydrophobicContact CB-CG 4.27Å; I12-K17 HydrophobicContact CG2-CG 4.34Å; I12-K17 WeakPolarHBondContact O-CE 3.34Å; I12-W20 HydrophobicContact CD1-CB 4.3Å; I12-W20 HydrophobicContact CD1-CG 3.84Å | ||
| 13 | P | 57.4 | Low | 63.9 | Low | 103 Ų | 103 | 105.8 Ų | 105.8 | 67% | 0.669 | 58% | 0.583 | S | S | * | * | trans | -49.2 | 121.6 | 176.5 | -29 | 35.6 | 0 | 0 | 0 | 111.1 | N15 H16 | P13-N15 PolarHBondContact O-N 3.38Å; P13-H16 PolarHBondContact O-N 2.85Å; P13-H16 VanDerWaalsContact O-N 3.13Å | ||
| 14 | D | 60.5 | Low | 66.6 | Low | 117 Ų | 117 | 102.2 Ų | 102.2 | 63% | 0.626 | 56% | 0.555 | S | S | * | * | G | 310 helix | trans | -51.6 | -37.3 | -157.1 | -158.1 | 31 | 0 | 0 | 0 | 114.1 | I12 H16 K17 | I12-D14 PolarHBondContact O-N 3Å; I12-D14 VanDerWaalsContact O-N 3.11Å; D14-H16 PolarHBondContact O-N 3.04Å; D14-K17 PolarHBondContact O-N 3.27Å; D14-K17 WeakPolarHBondContact OD1-CD 3.47Å; D14-K17 WeakPolarHBondContact OD1-CE 3.12Å; D14-K17 IonicContact OD1-NZ 2.7Å; D14-K17 PolarHBondContact OD1-NZ 3.2Å |
| 15 | N | 68.8 | Low | 69.2 | Low | 151 Ų | 151 | 100.3 Ų | 100.3 | 81% | 0.807 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -58.6 | -11.7 | -178.7 | -73.2 | -18.4 | 0 | 0 | 0 | 116.4 | P13 | P13-N15 PolarHBondContact O-N 3.38Š|
| 16 | H | 78.9 | Confident | 72 | Confident | 123 Ų | 123 | 97.5 Ų | 97.5 | 57% | 0.569 | 54% | 0.535 | S | S | * | . | G | 310 helix | trans | -130.6 | 13 | -176.3 | -60.8 | -52.3 | 0 | 0 | 0 | 115.4 | P13 D14 E18 S19 W20 | P13-H16 PolarHBondContact O-N 2.85Å; P13-H16 VanDerWaalsContact O-N 3.13Å; D14-H16 PolarHBondContact O-N 3.04Å; H16-E18 PolarHBondContact O-N 3.31Å; H16-S19 PolarHBondContact O-N 3.07Å; H16-W20 PolarHBondContact O-N 3.12Å |
| 17 | K | 83.5 | Confident | 74.8 | Confident | 84 Ų | 84 | 90 Ų | 90 | 37% | 0.365 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.8 | -48.8 | -179.7 | -73.5 | 175 | 176.2 | 166.8 | 0 | 113.2 | I12 D14 S19 W20 L21 | I12-K17 HydrophobicContact CB-CG 4.27Å; I12-K17 HydrophobicContact CG2-CG 4.34Å; I12-K17 WeakPolarHBondContact O-CE 3.34Å; D14-K17 PolarHBondContact O-N 3.27Å; D14-K17 WeakPolarHBondContact OD1-CD 3.47Å; D14-K17 WeakPolarHBondContact OD1-CE 3.12Å; D14-K17 IonicContact OD1-NZ 2.7Å; D14-K17 PolarHBondContact OD1-NZ 3.2Å; K17-S19 VanDerWaalsContact C-N 3.35Å; K17-S19 PolarHBondContact O-N 3.06Å; K17-W20 WeakPolarHBondContact O-CB 3.4Å; K17-W20 PolarHBondContact O-N 3.45Å; K17-W20 VanDerWaalsContact O-N 3.07Å; K17-L21 WeakPolarHBondContact O-CG 3.27Å; K17-L21 PolarHBondContact O-N 3.26Å |
| 18 | E | 87.6 | Confident | 77.3 | Confident | 149 Ų | 149 | 90.8 Ų | 90.8 | 70% | 0.696 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59.3 | -43.3 | 178.6 | -61.4 | -54.1 | 141.1 | 0 | 0 | 112.6 | H16 W20 L21 A22 | H16-E18 PolarHBondContact O-N 3.31Å; E18-W20 VanDerWaalsContact C-N 3.28Å; E18-W20 PolarHBondContact O-N 2.81Å; E18-L21 PolarHBondContact O-N 2.95Å; E18-A22 WeakPolarHBondContact O-CB 3.48Å; E18-A22 PolarHBondContact O-N 3.1Å |
| 19 | S | 89.6 | Confident | 79.5 | Confident | 80 Ų | 80 | 87.9 Ų | 87.9 | 56% | 0.559 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.3 | -33 | 176.5 | -52 | 0 | 0 | 0 | 0 | 112.2 | H16 K17 L23 | H16-S19 PolarHBondContact O-N 3.07Å; K17-S19 VanDerWaalsContact C-N 3.35Å; K17-S19 PolarHBondContact O-N 3.06Å; S19-L23 WeakPolarHBondContact O-CB 3.46Å; S19-L23 PolarHBondContact O-N 3.01Å |
| 20 | W | 88.4 | Confident | 81.6 | Confident | 47 Ų | 47 | 85.6 Ų | 85.6 | 18% | 0.178 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -70.5 | -44 | 175.3 | -167.8 | -104.3 | 0 | 0 | 0 | 112.2 | I12 H16 K17 E18 A22 L23 L24 I40 T42 W77 | I12-W20 HydrophobicContact CD1-CB 4.3Å; I12-W20 HydrophobicContact CD1-CG 3.84Å; H16-W20 PolarHBondContact O-N 3.12Å; K17-W20 WeakPolarHBondContact O-CB 3.4Å; K17-W20 PolarHBondContact O-N 3.45Å; K17-W20 VanDerWaalsContact O-N 3.07Å; E18-W20 VanDerWaalsContact C-N 3.28Å; E18-W20 PolarHBondContact O-N 2.81Å; W20-A22 VanDerWaalsContact C-N 3.33Å; W20-A22 PolarHBondContact O-N 3.28Å; W20-L23 HydrophobicContact CE3-CD2 4.04Å; W20-L23 HydrophobicContact CH2-CD2 4.24Å; W20-L23 HydrophobicContact CZ3-CD2 3.68Å; W20-L23 WeakPolarHBondContact O-CB 3.19Å; W20-L23 PolarHBondContact O-N 3.46Å; W20-L24 HydrophobicContact CZ2-CD2 4.44Å; W20-L24 WeakPolarHBondContact O-CG 3.44Å; W20-L24 PolarHBondContact O-N 3.38Å; W20-I40 HydrophobicContact CH2-CG2 3.69Å; W20-I40 HydrophobicContact CZ2-CG2 4.13Å; W20-T42 HydrophobicContact CH2-CG2 3.23Å; W20-T42 HydrophobicContact CZ2-CG2 3.39Å; W20-T42 HydrophobicContact CZ3-CG2 4.21Å; W20-W77 AromaticContact CZ2-CD1 3.9Å; W20-W77 HydrophobicContact CZ2-CD2 4.46Å; W20-W77 AromaticContact CZ2-CE2 3.97Å; W20-W77 HydrophobicContact CZ2-CG 4.36Å; W20-W77 HydrophobicContact CZ2-CZ2 4.43Å; W20-W77 AromaticContact CZ2-NE1 3.68Å; W20-W77 AromaticContact NE1-CE2 3.73Å; W20-W77 AromaticContact NE1-CH2 3.71Å; W20-W77 AromaticContact NE1-CZ2 3.42Å |
| 21 | L | 89.7 | Confident | 83.4 | Confident | 99 Ų | 99 | 86 Ų | 86 | 52% | 0.518 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64 | -38 | 174.8 | -66.4 | 173.6 | 0 | 0 | 0 | 111.9 | K17 E18 L23 L24 S25 | K17-L21 WeakPolarHBondContact O-CG 3.27Å; K17-L21 PolarHBondContact O-N 3.26Å; E18-L21 PolarHBondContact O-N 2.95Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L21-L24 PolarHBondContact O-N 3.13Å; L21-S25 WeakPolarHBondContact O-CB 3.44Å; L21-S25 PolarHBondContact O-N 2.77Å; L21-S25 PolarHBondContact O-OG 3.05Å |
| 22 | A | 92.8 | Very high | 84.9 | Confident | 55 Ų | 55 | 84 Ų | 84 | 46% | 0.455 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.4 | -38.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E18 W20 S25 A26 | E18-A22 WeakPolarHBondContact O-CB 3.48Å; E18-A22 PolarHBondContact O-N 3.1Å; W20-A22 VanDerWaalsContact C-N 3.33Å; W20-A22 PolarHBondContact O-N 3.28Å; A22-S25 PolarHBondContact O-OG 3.26Å; A22-A26 WeakPolarHBondContact O-CB 3.3Å; A22-A26 PolarHBondContact O-N 2.84Å |
| 23 | L | 92.3 | Very high | 86.4 | Confident | 83 Ų | 83 | 90.7 Ų | 90.7 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.1 | -45.1 | 175.8 | 178.8 | 63 | 0 | 0 | 0 | 111.8 | S19 W20 L21 A26 A27 I40 | S19-L23 WeakPolarHBondContact O-CB 3.46Å; S19-L23 PolarHBondContact O-N 3.01Å; W20-L23 HydrophobicContact CE3-CD2 4.04Å; W20-L23 HydrophobicContact CH2-CD2 4.24Å; W20-L23 HydrophobicContact CZ3-CD2 3.68Å; W20-L23 WeakPolarHBondContact O-CB 3.19Å; W20-L23 PolarHBondContact O-N 3.46Å; L21-L23 VanDerWaalsContact C-N 3.34Å; L23-A26 PolarHBondContact O-N 3.15Å; L23-A27 VanDerWaalsContact O-CB 3.31Å; L23-A27 WeakPolarHBondContact O-CB 3.45Å; L23-A27 PolarHBondContact O-N 3.36Å; L23-I40 HydrophobicContact CG-CD1 4.28Å |
| 24 | L | 90.8 | Very high | 88.1 | Confident | 39 Ų | 39 | 88.1 Ų | 88.1 | 20% | 0.204 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 178.6 | -69.4 | 177.2 | 0 | 0 | 0 | 111.9 | W20 L21 A27 E28 I40 W77 | W20-L24 HydrophobicContact CZ2-CD2 4.44Å; W20-L24 WeakPolarHBondContact O-CG 3.44Å; W20-L24 PolarHBondContact O-N 3.38Å; L21-L24 PolarHBondContact O-N 3.13Å; L24-A27 PolarHBondContact O-N 3.38Å; L24-E28 PolarHBondContact O-N 2.89Å; L24-I40 HydrophobicContact CD2-CD1 4.27Å; L24-W77 HydrophobicContact CD1-CD2 4.47Å; L24-W77 HydrophobicContact CD1-CE3 3.83Å; L24-W77 HydrophobicContact CD1-CH2 4.34Å; L24-W77 HydrophobicContact CD1-CZ3 3.77Å; L24-W77 HydrophobicContact CD2-CB 3.87Å; L24-W77 HydrophobicContact CD2-CD2 4.2Å; L24-W77 HydrophobicContact CD2-CE3 4.12Å; L24-W77 HydrophobicContact CD2-CG 4.16Å |
| 25 | S | 91.9 | Very high | 89.5 | Confident | 68 Ų | 68 | 86 Ų | 86 | 48% | 0.476 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.6 | -36.3 | 177.3 | 54.6 | 0 | 0 | 0 | 0 | 112.8 | L21 A22 E28 A29 | L21-S25 WeakPolarHBondContact O-CB 3.44Å; L21-S25 PolarHBondContact O-N 2.77Å; L21-S25 PolarHBondContact O-OG 3.05Å; A22-S25 PolarHBondContact O-OG 3.26Å; S25-E28 PolarHBondContact O-N 2.79Å; S25-A29 VanDerWaalsContact O-CB 3.3Å; S25-A29 WeakPolarHBondContact O-CB 3.21Å; S25-A29 PolarHBondContact O-N 3.31Å |
| 26 | A | 94.3 | Very high | 90.5 | Very high | 59 Ų | 59 | 81.8 Ų | 81.8 | 49% | 0.488 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.7 | -38.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | A22 L23 Y30 | A22-A26 WeakPolarHBondContact O-CB 3.3Å; A22-A26 PolarHBondContact O-N 2.84Å; L23-A26 PolarHBondContact O-N 3.15Å; A26-Y30 WeakPolarHBondContact O-CB 3.33Å; A26-Y30 PolarHBondContact O-N 3.31Å |
| 27 | A | 92.4 | Very high | 91.1 | Very high | 15 Ų | 15 | 79.4 Ų | 79.4 | 12% | 0.124 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -64.6 | -46.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L23 L24 Y30 C31 L38 I40 | L23-A27 VanDerWaalsContact O-CB 3.31Å; L23-A27 WeakPolarHBondContact O-CB 3.45Å; L23-A27 PolarHBondContact O-N 3.36Å; L24-A27 PolarHBondContact O-N 3.38Å; A27-Y30 WeakPolarHBondContact O-CB 3.44Å; A27-Y30 PolarHBondContact O-N 3.5Å; A27-Y30 VanDerWaalsContact O-N 3.16Å; A27-C31 PolarHBondContact O-N 3.2Å; A27-C31 PolarHBondContact O-SG 3.27Å; A27-L38 HydrophobicContact CB-CD2 3.75Å; A27-I40 HydrophobicContact CB-CD1 3.89Å |
| 28 | E | 90.9 | Very high | 91.6 | Very high | 116 Ų | 116 | 78.3 Ų | 78.3 | 54% | 0.542 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | 175.5 | -169.3 | -171.7 | 165.4 | 0 | 0 | 111.7 | L24 S25 Y30 C31 Q32 | L24-E28 PolarHBondContact O-N 2.89Å; S25-E28 PolarHBondContact O-N 2.79Å; E28-Y30 PolarHBondContact O-N 3.27Å; E28-C31 WeakPolarHBondContact O-CB 3.44Å; E28-C31 PolarHBondContact O-N 3.05Å; E28-C31 VanDerWaalsContact O-N 3.09Å; E28-Q32 WeakPolarHBondContact O-CG 3.35Å; E28-Q32 PolarHBondContact O-N 3.5Å; E28-Q32 PolarHBondContact OE1-NE2 2.75Å |
| 29 | A | 93.3 | Very high | 91.9 | Very high | 30 Ų | 30 | 72.6 Ų | 72.6 | 25% | 0.248 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -62.1 | -28.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S25 K33 | S25-A29 VanDerWaalsContact O-CB 3.3Å; S25-A29 WeakPolarHBondContact O-CB 3.21Å; S25-A29 PolarHBondContact O-N 3.31Å; A29-K33 WeakPolarHBondContact O-CB 3.27Å; A29-K33 VanDerWaalsContact O-CD 3.24Å; A29-K33 WeakPolarHBondContact O-CD 3.44Å; A29-K33 WeakPolarHBondContact O-CG 3.47Å; A29-K33 PolarHBondContact O-N 2.88Å |
| 30 | Y | 93.6 | Very high | 92 | Very high | 127 Ų | 127 | 70.4 Ų | 70.4 | 50% | 0.498 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71 | -45.6 | 171.3 | 177.3 | -96.5 | 0 | 0 | 0 | 111.7 | A26 A27 E28 Q32 K33 S34 C36 L38 | A26-Y30 WeakPolarHBondContact O-CB 3.33Å; A26-Y30 PolarHBondContact O-N 3.31Å; A27-Y30 WeakPolarHBondContact O-CB 3.44Å; A27-Y30 PolarHBondContact O-N 3.5Å; A27-Y30 VanDerWaalsContact O-N 3.16Å; E28-Y30 PolarHBondContact O-N 3.27Å; Y30-Q32 PolarHBondContact O-N 2.95Å; Y30-K33 PolarHBondContact O-N 3.34Å; Y30-S34 WeakPolarHBondContact O-CB 3.31Å; Y30-S34 PolarHBondContact O-N 3.35Å; Y30-S34 PolarHBondContact O-OG 3.15Å; Y30-C36 HydrophobicContact CE1-CB 4.24Å; Y30-L38 HydrophobicContact CD1-CD2 4.24Å |
| 31 | C | 91.5 | Very high | 92.2 | Very high | 36 Ų | 36 | 71.8 Ų | 71.8 | 24% | 0.243 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -56.8 | -48.5 | 174.8 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | A27 E28 K33 S34 G35 C36 L38 | A27-C31 PolarHBondContact O-N 3.2Å; A27-C31 PolarHBondContact O-SG 3.27Å; E28-C31 WeakPolarHBondContact O-CB 3.44Å; E28-C31 PolarHBondContact O-N 3.05Å; E28-C31 VanDerWaalsContact O-N 3.09Å; C31-K33 VanDerWaalsContact C-N 3.29Å; C31-K33 PolarHBondContact O-N 3.1Å; C31-S34 PolarHBondContact O-N 2.98Å; C31-G35 WeakPolarHBondContact O-CA 3.46Å; C31-G35 PolarHBondContact O-N 3.36Å; C31-C36 WeakPolarHBondContact CA-O 3.39Å; C31-C36 WeakPolarHBondContact CB-O 3.36Å; C31-C36 PolarHBondContact SG-O 2.97Å; C31-L38 VanDerWaalsContact SG-CB 3.54Å |
| 32 | Q | 91.6 | Very high | 92.2 | Very high | 144 Ų | 144 | 68.3 Ų | 68.3 | 67% | 0.673 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -60.4 | -34.7 | 178.5 | -67.8 | 176.1 | 7.4 | 0 | 0 | 113.1 | E28 Y30 | E28-Q32 WeakPolarHBondContact O-CG 3.35Å; E28-Q32 PolarHBondContact O-N 3.5Å; E28-Q32 PolarHBondContact OE1-NE2 2.75Å; Y30-Q32 PolarHBondContact O-N 2.95Å |
| 33 | K | 95 | Very high | 92.1 | Very high | 179 Ų | 179 | 67.8 Ų | 67.8 | 78% | 0.778 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -83.2 | -33.3 | -179.5 | -73.2 | 168.7 | -169.2 | 172.4 | 0 | 114.1 | A29 Y30 C31 | A29-K33 WeakPolarHBondContact O-CB 3.27Å; A29-K33 VanDerWaalsContact O-CD 3.24Å; A29-K33 WeakPolarHBondContact O-CD 3.44Å; A29-K33 WeakPolarHBondContact O-CG 3.47Å; A29-K33 PolarHBondContact O-N 2.88Å; Y30-K33 PolarHBondContact O-N 3.34Å; C31-K33 VanDerWaalsContact C-N 3.29Å; C31-K33 PolarHBondContact O-N 3.1Å |
| 34 | S | 92.7 | Very high | 91.8 | Very high | 49 Ų | 49 | 67 Ų | 67 | 34% | 0.343 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -99.3 | -22.1 | -173.2 | 60.7 | 0 | 0 | 0 | 0 | 113.6 | Y30 C31 C36 | Y30-S34 WeakPolarHBondContact O-CB 3.31Å; Y30-S34 PolarHBondContact O-N 3.35Å; Y30-S34 PolarHBondContact O-OG 3.15Å; C31-S34 PolarHBondContact O-N 2.98Å; S34-C36 PolarHBondContact O-N 3.02Å; S34-C36 WeakPolarHBondContact OG-CB 3.47Å; S34-C36 PolarHBondContact OG-N 2.88Å; S34-C36 VanDerWaalsContact OG-N 3.17Å |
| 35 | G | 90.4 | Very high | 91.6 | Very high | 73 Ų | 73 | 69.8 Ų | 69.8 | 75% | 0.753 | 41% | 0.405 | S | S | * | . | trans | 70.8 | 3.8 | -166.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | C31 | C31-G35 WeakPolarHBondContact O-CA 3.46Å; C31-G35 PolarHBondContact O-N 3.36Å | ||
| 36 | C | 90.3 | Very high | 90.9 | Very high | 62 Ų | 62 | 71 Ų | 71 | 42% | 0.419 | 40% | 0.402 | S | S | . | . | trans | -81.8 | 139.4 | 179 | -63.9 | 0 | 0 | 0 | 0 | 111.6 | Y30 C31 S34 | Y30-C36 HydrophobicContact CE1-CB 4.24Å; C31-C36 WeakPolarHBondContact CA-O 3.39Å; C31-C36 WeakPolarHBondContact CB-O 3.36Å; C31-C36 PolarHBondContact SG-O 2.97Å; S34-C36 PolarHBondContact O-N 3.02Å; S34-C36 WeakPolarHBondContact OG-CB 3.47Å; S34-C36 PolarHBondContact OG-N 2.88Å; S34-C36 VanDerWaalsContact OG-N 3.17Å | ||
| 37 | D | 91.7 | Very high | 89.6 | Confident | 73 Ų | 73 | 75.9 Ų | 75.9 | 39% | 0.39 | 41% | 0.412 | S | S | . | . | trans | -75.4 | 130.3 | 169.4 | -118.5 | 21.7 | 0 | 0 | 0 | 110.2 | G80 F81 L82 | D37-G80 WeakPolarHBondContact OD1-CA 3.45Å; D37-G80 VanDerWaalsContact OD2-C 3.29Å; D37-F81 WeakPolarHBondContact OD2-CA 3.4Å; D37-F81 PolarHBondContact OD2-N 3.46Å; D37-L82 HydrophobicContact CB-CB 3.88Å; D37-L82 WeakPolarHBondContact O-CD2 3.39Å; D37-L82 PolarHBondContact OD2-N 3.02Å | ||
| 38 | L | 92.8 | Very high | 87.9 | Confident | 62 Ų | 62 | 84.3 Ų | 84.3 | 33% | 0.325 | 44% | 0.441 | S | S | . | . | trans | -132.2 | 130 | 179.3 | -178.9 | 59 | 0 | 0 | 0 | 110.3 | A27 Y30 C31 | A27-L38 HydrophobicContact CB-CD2 3.75Å; Y30-L38 HydrophobicContact CD1-CD2 4.24Å; C31-L38 VanDerWaalsContact SG-CB 3.54Å | ||
| 39 | A | 93.1 | Very high | 85.8 | Confident | 28 Ų | 28 | 86.4 Ų | 86.4 | 23% | 0.231 | 46% | 0.455 | C | S | . | . | trans | -122.8 | 135.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | V76 W77 L82 A83 | A39-V76 HydrophobicContact CB-CG1 4.34Å; A39-W77 WeakPolarHBondContact CA-O 3.33Å; A39-L82 HydrophobicContact CB-CD2 4.23Å; A39-L82 HydrophobicContact CB-CG 3.98Å; A39-A83 HydrophobicContact CB-CB 4.03Å | ||
| 40 | I | 93.1 | Very high | 83.7 | Confident | 35 Ų | 35 | 90.3 Ų | 90.3 | 18% | 0.179 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 121.3 | 175.3 | -63.6 | 166.9 | 0 | 0 | 0 | 108 | W20 L23 L24 A27 W77 | W20-I40 HydrophobicContact CH2-CG2 3.69Å; W20-I40 HydrophobicContact CZ2-CG2 4.13Å; L23-I40 HydrophobicContact CG-CD1 4.28Å; L24-I40 HydrophobicContact CD2-CD1 4.27Å; A27-I40 HydrophobicContact CB-CD1 3.89Å; I40-W77 HydrophobicContact CB-CB 4.17Å; I40-W77 PolarHBondContact N-O 2.91Å; I40-W77 PolarHBondContact O-N 3.05Å |
| 41 | L | 92.4 | Very high | 81 | Confident | 75 Ų | 75 | 88.6 Ų | 88.6 | 39% | 0.393 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 125.5 | 176 | -176.2 | 86.7 | 0 | 0 | 0 | 109.9 | Y74 V76 V90 I93 | L41-Y74 HydrophobicContact CD2-CD1 4.4Å; L41-V76 HydrophobicContact CD1-CG2 3.68Å; L41-V90 HydrophobicContact CD1-CG2 4.23Å; L41-I93 HydrophobicContact CD1-CG2 4.47Å; L41-I93 HydrophobicContact CD2-CG2 3.58Å |
| 42 | T | 90.4 | Very high | 78.9 | Confident | 26 Ų | 26 | 90 Ų | 90 | 16% | 0.16 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 124.5 | 171.5 | 51.8 | 0 | 0 | 0 | 0 | 110.7 | W20 Y74 R75 W77 | W20-T42 HydrophobicContact CH2-CG2 3.23Å; W20-T42 HydrophobicContact CZ2-CG2 3.39Å; W20-T42 HydrophobicContact CZ3-CG2 4.21Å; T42-Y74 CarbonylContact O-C 3.57Å; T42-Y74 WeakPolarHBondContact O-CA 3.15Å; T42-R75 PolarHBondContact N-O 3.38Å; T42-R75 PolarHBondContact O-N 2.92Å; T42-R75 PolarHBondContact OG1-O 2.81Å; T42-W77 PolarHBondContact OG1-NE1 3.25Å; T42-W77 VanDerWaalsContact OG1-NE1 3.15Å |
| 43 | A | 90.6 | Very high | 76.5 | Confident | 45 Ų | 45 | 93 Ų | 93 | 37% | 0.372 | 52% | 0.523 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 99.2 | 174 | 0 | 0 | 0 | 0 | 0 | 110.4 | F72 Y74 | A43-F72 HydrophobicContact CB-CD1 4.4Å; A43-Y74 HydrophobicContact CB-CD1 3.69Å; A43-Y74 HydrophobicContact CB-CE1 3.5Å |
| 44 | C | 84.9 | Confident | 74.2 | Confident | 67 Ų | 67 | 88 Ų | 88 | 45% | 0.453 | 52% | 0.522 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 119.8 | 179.5 | -63.4 | 0 | 0 | 0 | 0 | 110.1 | K46 F72 S73 | C44-K46 PolarHBondContact O-N 3.43Å; C44-F72 CarbonylContact O-C 3.55Å; C44-F72 VanDerWaalsContact O-CA 3.32Å; C44-F72 WeakPolarHBondContact O-CA 3.31Å; C44-S73 PolarHBondContact N-O 3.23Å; C44-S73 PolarHBondContact O-N 2.89Å; C44-S73 PolarHBondContact O-OG 3.01Å |
| 45 | K | 85.8 | Confident | 71.5 | Confident | 96 Ų | 96 | 94.2 Ų | 94.2 | 42% | 0.417 | 55% | 0.546 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 112.6 | 175.3 | -177.5 | 172 | 177.2 | 166.1 | 0 | 110.2 | F47 C70 F72 | K45-F47 HydrophobicContact CB-CE2 4.43Å; K45-F47 HydrophobicContact CD-CE1 4.35Å; K45-F47 HydrophobicContact CD-CE2 4.26Å; K45-F47 HydrophobicContact CD-CZ 3.95Å; K45-F47 HydrophobicContact CG-CE2 4.25Å; K45-F47 HydrophobicContact CG-CZ 4.4Å; K45-F47 PolarHBondContact O-N 2.85Å; K45-C70 WeakPolarHBondContact CE-SG 3.43Å; K45-C70 PolarHBondContact NZ-SG 3.41Å; K45-F72 HydrophobicContact CB-CD1 3.92Å; K45-F72 HydrophobicContact CB-CE1 3.72Å; K45-F72 HydrophobicContact CD-CE1 4.44Å; K45-F72 HydrophobicContact CG-CE1 4.15Å |
| 46 | K | 78.6 | Confident | 69.4 | Low | 95 Ų | 95 | 97 Ų | 97 | 41% | 0.413 | 55% | 0.548 | S | S | . | . | trans | -73.4 | 111 | 171.4 | -55.8 | -174.4 | -165.9 | 172.8 | 0 | 108.9 | C44 R48 E71 | C44-K46 PolarHBondContact O-N 3.43Å; K46-R48 PolarHBondContact O-N 3.47Å; K46-E71 WeakPolarHBondContact CA-O 3.34Å; K46-E71 HydrophobicContact CB-CB 4.4Å; K46-E71 VanDerWaalsContact CB-O 3.25Å; K46-E71 WeakPolarHBondContact CB-O 3.36Å; K46-E71 HydrophobicContact CD-CG 4.03Å; K46-E71 WeakPolarHBondContact CD-OE1 3.43Å; K46-E71 WeakPolarHBondContact CE-OE1 3.32Å; K46-E71 PolarHBondContact N-O 2.79Å; K46-E71 IonicContact NZ-OE1 2.66Å; K46-E71 PolarHBondContact NZ-OE1 3.07Å | ||
| 47 | F | 65.6 | Low | 67.3 | Low | 160 Ų | 160 | 96.9 Ų | 96.9 | 70% | 0.702 | 56% | 0.557 | S | S | * | * | trans | -77.4 | 99.6 | 164.9 | -69.2 | -89.2 | 0 | 0 | 0 | 108 | K45 L49 | K45-F47 HydrophobicContact CB-CE2 4.43Å; K45-F47 HydrophobicContact CD-CE1 4.35Å; K45-F47 HydrophobicContact CD-CE2 4.26Å; K45-F47 HydrophobicContact CD-CZ 3.95Å; K45-F47 HydrophobicContact CG-CE2 4.25Å; K45-F47 HydrophobicContact CG-CZ 4.4Å; K45-F47 PolarHBondContact O-N 2.85Å; F47-L49 VanDerWaalsContact C-N 3.27Å; F47-L49 PolarHBondContact O-N 2.86Å | ||
| 48 | R | 58.3 | Low | 64.9 | Low | 193 Ų | 193 | 103.4 Ų | 103.4 | 73% | 0.728 | 58% | 0.582 | S | S | * | * | trans | -62.4 | 96.2 | 162.2 | -70.5 | -169 | -176.3 | -167.9 | 3 | 107.8 | K46 T50 E71 | K46-R48 PolarHBondContact O-N 3.47Å; R48-T50 PolarHBondContact O-N 3.5Å; R48-E71 IonicContact CZ-OE2 2.65Å; R48-E71 IonicContact NE-OE2 2.68Å; R48-E71 PolarHBondContact NE-OE2 3.2Å; R48-E71 IonicContact NH2-OE2 3.18Å; R48-E71 PolarHBondContact NH2-OE2 3.17Å | ||
| 49 | L | 45.3 | Very low | 62.3 | Low | 160 Ų | 160 | 108.3 Ų | 108.3 | 84% | 0.838 | 60% | 0.6 | S | S | * | * | trans | -56.2 | 108.7 | 162.1 | -71.6 | 170.8 | 0 | 0 | 0 | 106.3 | F47 A51 | F47-L49 VanDerWaalsContact C-N 3.27Å; F47-L49 PolarHBondContact O-N 2.86Å; L49-A51 PolarHBondContact O-N 2.86Å | ||
| 50 | T | 49.7 | Very low | 60.2 | Low | 112 Ų | 112 | 118.6 Ų | 118.6 | 69% | 0.687 | 63% | 0.633 | S | S | * | * | trans | -73.2 | 77.1 | 168.1 | 45 | 0 | 0 | 0 | 0 | 107.4 | R48 G52 | R48-T50 PolarHBondContact O-N 3.5Å; T50-G52 PolarHBondContact O-N 3.34Å | ||
| 51 | A | 37.4 | Very low | 57.4 | Low | 91 Ų | 91 | 123.6 Ų | 123.6 | 75% | 0.752 | 66% | 0.656 | S | S | * | * | trans | -58.9 | 121.1 | 163.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | L49 | L49-A51 PolarHBondContact O-N 2.86Š| ||
| 52 | G | 48.2 | Very low | 55.2 | Low | 66 Ų | 66 | 125.9 Ų | 125.9 | 68% | 0.68 | 68% | 0.678 | S | S | * | * | trans | -78.3 | 163.5 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | T50 | T50-G52 PolarHBondContact O-N 3.34Š| ||
| 53 | E | 41.2 | Very low | 52.7 | Low | 206 Ų | 206 | 127.4 Ų | 127.4 | 96% | 0.963 | 70% | 0.699 | S | S | * | * | trans | 90 | 115.3 | -171.7 | -57.5 | -166.2 | 118 | 0 | 0 | 114.4 | ||||
| 54 | G | 44.9 | Very low | 50.4 | Low | 75 Ų | 75 | 131.9 Ų | 131.9 | 77% | 0.773 | 72% | 0.722 | S | S | * | * | cis | 173.5 | 131 | -10.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 55 | E | 36.2 | Very low | 48.2 | Very low | 179 Ų | 179 | 132 Ų | 132 | 84% | 0.836 | 74% | 0.735 | S | S | * | * | trans | -165.1 | 156.8 | 159.5 | -119.3 | -76.9 | 77.2 | 0 | 0 | 110.4 | ||||
| 56 | V | 46.4 | Very low | 46.1 | Very low | 131 Ų | 131 | 135.2 Ų | 135.2 | 79% | 0.794 | 75% | 0.749 | S | S | * | * | trans | -84.7 | 122.6 | -155.8 | 174 | 0 | 0 | 0 | 0 | 114 | ||||
| 57 | G | 46.6 | Very low | 44.6 | Very low | 59 Ų | 59 | 133.9 Ų | 133.9 | 61% | 0.608 | 75% | 0.75 | S | S | * | * | trans | 70.8 | 105.4 | 135.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 58 | K | 41.8 | Very low | 44 | Very low | 210 Ų | 210 | 133.7 Ų | 133.7 | 91% | 0.913 | 75% | 0.749 | S | S | * | * | -156.5 | 124.1 | 122.7 | -105.5 | 146 | -169.4 | 173.4 | 0 | 112.6 | |||||
| 59 | K | 36.8 | Very low | 44.2 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | trans | 40.4 | 102.3 | 153.1 | -158.2 | -176.3 | 179.7 | -158.1 | 0 | 117.4 | E61 | K59-E61 HydrophobicContact CD-CG 4.07Å; K59-E61 WeakPolarHBondContact CD-OE1 3.34Å; K59-E61 VanDerWaalsContact CE-OE1 3.24Å; K59-E61 WeakPolarHBondContact CE-OE1 3.31Å; K59-E61 HydrophobicContact CG-CG 4.08Å; K59-E61 IonicContact NZ-OE1 2.82Å; K59-E61 PolarHBondContact NZ-OE1 2.87Å; K59-E61 PolarHBondContact O-N 3.42Å | ||
| 60 | R | 50.6 | Low | 45 | Very low | 245 Ų | 245 | 128.6 Ų | 128.6 | 93% | 0.925 | 74% | 0.735 | S | S | * | * | trans | -56 | 92.1 | 160.9 | -176.3 | -167.9 | -164 | -160.9 | 7.1 | 110.9 | ||||
| 61 | E | 34.2 | Very low | 46.5 | Very low | 140 Ų | 140 | 126.2 Ų | 126.2 | 65% | 0.654 | 72% | 0.716 | S | S | * | * | trans | -89.2 | 110.6 | 166.2 | -63.5 | -157.8 | 155.8 | 0 | 0 | 109.4 | K59 G63 | K59-E61 HydrophobicContact CD-CG 4.07Å; K59-E61 WeakPolarHBondContact CD-OE1 3.34Å; K59-E61 VanDerWaalsContact CE-OE1 3.24Å; K59-E61 WeakPolarHBondContact CE-OE1 3.31Å; K59-E61 HydrophobicContact CG-CG 4.08Å; K59-E61 IonicContact NZ-OE1 2.82Å; K59-E61 PolarHBondContact NZ-OE1 2.87Å; K59-E61 PolarHBondContact O-N 3.42Å; E61-G63 PolarHBondContact O-N 3.31Å | ||
| 62 | S | 46.2 | Very low | 48.9 | Very low | 122 Ų | 122 | 123.6 Ų | 123.6 | 85% | 0.853 | 69% | 0.688 | S | S | * | * | trans | -75 | 59.6 | 175.1 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 63 | G | 36.8 | Very low | 50.9 | Low | 58 Ų | 58 | 122.5 Ų | 122.5 | 60% | 0.598 | 67% | 0.669 | S | S | * | * | trans | -74 | 151.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | E61 G65 | E61-G63 PolarHBondContact O-N 3.31Å; G63-G65 PolarHBondContact O-N 2.91Å | ||
| 64 | T | 43.3 | Very low | 53.2 | Low | 140 Ų | 140 | 114.7 Ų | 114.7 | 86% | 0.859 | 63% | 0.631 | S | S | * | * | trans | -64.7 | 79.2 | 178 | 45.8 | 0 | 0 | 0 | 0 | 111.7 | F66 | T64-F66 PolarHBondContact O-N 2.68Š| ||
| 65 | G | 37.9 | Very low | 55.4 | Low | 70 Ų | 70 | 115.8 Ų | 115.8 | 72% | 0.722 | 61% | 0.612 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 116.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | G63 | G63-G65 PolarHBondContact O-N 2.91Š|
| 66 | F | 41.9 | Very low | 58.1 | Low | 163 Ų | 163 | 108.4 Ų | 108.4 | 72% | 0.715 | 58% | 0.579 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 139.1 | 166.2 | -68 | -92 | 0 | 0 | 0 | 109.1 | T64 K68 | T64-F66 PolarHBondContact O-N 2.68Å; F66-K68 PolarHBondContact O-N 3.21Å |
| 67 | P | 47.5 | Very low | 60.2 | Low | 66 Ų | 66 | 104.8 Ų | 104.8 | 43% | 0.429 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -61.3 | 119.9 | -176.4 | 22.5 | -29.4 | 0 | 0 | 0 | 109 | E69 Q105 | P67-E69 PolarHBondContact O-N 3.23Å; P67-Q105 VanDerWaalsContact CG-NE2 3.34Å |
| 68 | K | 53.6 | Low | 62.2 | Low | 156 Ų | 156 | 104 Ų | 104 | 68% | 0.678 | 54% | 0.543 | S | S | * | . | trans | -10.3 | 107.8 | -179.3 | -71.5 | -177.5 | 173.7 | -174.5 | 0 | 112.4 | F66 C70 | F66-K68 PolarHBondContact O-N 3.21Å; K68-C70 PolarHBondContact O-N 2.82Å; K68-C70 PolarHBondContact O-SG 3Å | ||
| 69 | E | 61.5 | Low | 64.3 | Low | 186 Ų | 186 | 100.9 Ų | 100.9 | 87% | 0.869 | 53% | 0.532 | S | S | * | . | trans | -42.6 | 111 | 173.8 | -69.1 | 169.5 | 162.4 | 0 | 0 | 108.9 | P67 E71 | P67-E69 PolarHBondContact O-N 3.23Å; E69-E71 VanDerWaalsContact C-N 3.29Å; E69-E71 PolarHBondContact O-N 2.85Å | ||
| 70 | C | 62.9 | Low | 66.8 | Low | 60 Ų | 60 | 93.9 Ų | 93.9 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | trans | -75.8 | 92.3 | -179.3 | -73 | 0 | 0 | 0 | 0 | 106.6 | K45 K68 F72 | K45-C70 WeakPolarHBondContact CE-SG 3.43Å; K45-C70 PolarHBondContact NZ-SG 3.41Å; K68-C70 PolarHBondContact O-N 2.82Å; K68-C70 PolarHBondContact O-SG 3Å; C70-F72 HydrophobicContact CB-CD2 4.34Å; C70-F72 HydrophobicContact CB-CE2 3.68Å; C70-F72 HydrophobicContact CB-CZ 4.05Å; C70-F72 WeakPolarHBondContact O-CD2 3.49Å; C70-F72 VanDerWaalsContact O-CE2 3.32Å; C70-F72 WeakPolarHBondContact O-CE2 3.34Å; C70-F72 PolarHBondContact O-N 3Å; C70-F72 VanDerWaalsContact O-N 3.11Å | ||
| 71 | E | 81.6 | Confident | 68.8 | Low | 63 Ų | 63 | 89 Ų | 89 | 29% | 0.294 | 49% | 0.492 | S | S | . | . | trans | -64.6 | 111.1 | 176.4 | -167.4 | -173.1 | 152.7 | 0 | 0 | 108.6 | K46 R48 E69 | K46-E71 WeakPolarHBondContact CA-O 3.34Å; K46-E71 HydrophobicContact CB-CB 4.4Å; K46-E71 VanDerWaalsContact CB-O 3.25Å; K46-E71 WeakPolarHBondContact CB-O 3.36Å; K46-E71 HydrophobicContact CD-CG 4.03Å; K46-E71 WeakPolarHBondContact CD-OE1 3.43Å; K46-E71 WeakPolarHBondContact CE-OE1 3.32Å; K46-E71 PolarHBondContact N-O 2.79Å; K46-E71 IonicContact NZ-OE1 2.66Å; K46-E71 PolarHBondContact NZ-OE1 3.07Å; R48-E71 IonicContact CZ-OE2 2.65Å; R48-E71 IonicContact NE-OE2 2.68Å; R48-E71 PolarHBondContact NE-OE2 3.2Å; R48-E71 IonicContact NH2-OE2 3.18Å; R48-E71 PolarHBondContact NH2-OE2 3.17Å; E69-E71 VanDerWaalsContact C-N 3.29Å; E69-E71 PolarHBondContact O-N 2.85Å | ||
| 72 | F | 87 | Confident | 71.7 | Confident | 36 Ų | 36 | 86.2 Ų | 86.2 | 16% | 0.158 | 48% | 0.481 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 135.5 | 174.1 | -66.1 | -86.5 | 0 | 0 | 0 | 109.3 | A43 C44 K45 C70 Y74 H97 | A43-F72 HydrophobicContact CB-CD1 4.4Å; C44-F72 CarbonylContact O-C 3.55Å; C44-F72 VanDerWaalsContact O-CA 3.32Å; C44-F72 WeakPolarHBondContact O-CA 3.31Å; K45-F72 HydrophobicContact CB-CD1 3.92Å; K45-F72 HydrophobicContact CB-CE1 3.72Å; K45-F72 HydrophobicContact CD-CE1 4.44Å; K45-F72 HydrophobicContact CG-CE1 4.15Å; C70-F72 HydrophobicContact CB-CD2 4.34Å; C70-F72 HydrophobicContact CB-CE2 3.68Å; C70-F72 HydrophobicContact CB-CZ 4.05Å; C70-F72 WeakPolarHBondContact O-CD2 3.49Å; C70-F72 VanDerWaalsContact O-CE2 3.32Å; C70-F72 WeakPolarHBondContact O-CE2 3.34Å; C70-F72 PolarHBondContact O-N 3Å; C70-F72 VanDerWaalsContact O-N 3.11Å; F72-Y74 HydrophobicContact CB-CE1 4.24Å; F72-Y74 HydrophobicContact CB-CE2 3.89Å; F72-Y74 WeakPolarHBondContact CB-OH 3.46Å; F72-H97 AromaticContact CD1-CE1 3.84Å; F72-H97 AromaticContact CD2-CE1 3.85Å; F72-H97 AromaticContact CD2-ND1 3.88Å; F72-H97 AromaticContact CE1-CE1 3.7Å; F72-H97 AromaticContact CE2-CE1 3.73Å; F72-H97 AromaticContact CG-CE1 3.93Å; F72-H97 AromaticContact CZ-CE1 3.65Å |
| 73 | S | 89.4 | Confident | 73.9 | Confident | 42 Ų | 42 | 80.4 Ų | 80.4 | 29% | 0.294 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 127.8 | 160.3 | 39 | 0 | 0 | 0 | 0 | 109.6 | C44 | C44-S73 PolarHBondContact N-O 3.23Å; C44-S73 PolarHBondContact O-N 2.89Å; C44-S73 PolarHBondContact O-OG 3.01Å |
| 74 | Y | 90.9 | Very high | 76.7 | Confident | 42 Ų | 42 | 81.5 Ų | 81.5 | 17% | 0.165 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 141.8 | 173.8 | -55.9 | -84.2 | 0 | 0 | 0 | 109.9 | L41 T42 A43 F72 H97 | L41-Y74 HydrophobicContact CD2-CD1 4.4Å; T42-Y74 CarbonylContact O-C 3.57Å; T42-Y74 WeakPolarHBondContact O-CA 3.15Å; A43-Y74 HydrophobicContact CB-CD1 3.69Å; A43-Y74 HydrophobicContact CB-CE1 3.5Å; F72-Y74 HydrophobicContact CB-CE1 4.24Å; F72-Y74 HydrophobicContact CB-CE2 3.89Å; F72-Y74 WeakPolarHBondContact CB-OH 3.46Å; Y74-H97 HydrophobicContact CE1-CB 4.33Å; Y74-H97 AromaticContact CE1-ND1 3.6Å; Y74-H97 AromaticContact CZ-ND1 3.65Å; Y74-H97 PolarHBondContact OH-ND1 3.3Å |
| 75 | R | 89.9 | Confident | 79.2 | Confident | 99 Ų | 99 | 75.9 Ų | 75.9 | 37% | 0.374 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 141 | 164.7 | -65.5 | -172.4 | 179.7 | -144.7 | 8.2 | 108.9 | S8 T42 | S8-R75 PolarHBondContact O-NH1 2.81Å; T42-R75 PolarHBondContact N-O 3.38Å; T42-R75 PolarHBondContact O-N 2.92Å; T42-R75 PolarHBondContact OG1-O 2.81Å |
| 76 | V | 92.7 | Very high | 81.9 | Confident | 23 Ų | 23 | 73.6 Ų | 73.6 | 14% | 0.139 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 127.1 | 176.7 | 178.4 | 0 | 0 | 0 | 0 | 108.5 | A39 L41 A83 A86 R87 V90 | A39-V76 HydrophobicContact CB-CG1 4.34Å; L41-V76 HydrophobicContact CD1-CG2 3.68Å; V76-A83 HydrophobicContact CG1-CB 4.38Å; V76-A86 HydrophobicContact CG1-CB 3.9Å; V76-A86 HydrophobicContact CG2-CB 4.07Å; V76-R87 HydrophobicContact CB-CG 3.7Å; V76-R87 HydrophobicContact CG1-CG 4.01Å; V76-R87 HydrophobicContact CG2-CG 4.07Å; V76-V90 HydrophobicContact CG2-CG2 3.67Å |
| 77 | W | 90.4 | Very high | 84.4 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 21% | 0.212 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 153.8 | 178.5 | -55.7 | 88.1 | 0 | 0 | 0 | 110.3 | P10 W20 L24 A39 I40 T42 | P10-W77 HydrophobicContact CB-CZ2 4.33Å; P10-W77 HydrophobicContact CG-CH2 3.2Å; P10-W77 HydrophobicContact CG-CZ2 3.33Å; P10-W77 HydrophobicContact CG-CZ3 4.38Å; W20-W77 AromaticContact CZ2-CD1 3.9Å; W20-W77 HydrophobicContact CZ2-CD2 4.46Å; W20-W77 AromaticContact CZ2-CE2 3.97Å; W20-W77 HydrophobicContact CZ2-CG 4.36Å; W20-W77 HydrophobicContact CZ2-CZ2 4.43Å; W20-W77 AromaticContact CZ2-NE1 3.68Å; W20-W77 AromaticContact NE1-CE2 3.73Å; W20-W77 AromaticContact NE1-CH2 3.71Å; W20-W77 AromaticContact NE1-CZ2 3.42Å; L24-W77 HydrophobicContact CD1-CD2 4.47Å; L24-W77 HydrophobicContact CD1-CE3 3.83Å; L24-W77 HydrophobicContact CD1-CH2 4.34Å; L24-W77 HydrophobicContact CD1-CZ3 3.77Å; L24-W77 HydrophobicContact CD2-CB 3.87Å; L24-W77 HydrophobicContact CD2-CD2 4.2Å; L24-W77 HydrophobicContact CD2-CE3 4.12Å; L24-W77 HydrophobicContact CD2-CG 4.16Å; A39-W77 WeakPolarHBondContact CA-O 3.33Å; I40-W77 HydrophobicContact CB-CB 4.17Å; I40-W77 PolarHBondContact N-O 2.91Å; I40-W77 PolarHBondContact O-N 3.05Å; T42-W77 PolarHBondContact OG1-NE1 3.25Å; T42-W77 VanDerWaalsContact OG1-NE1 3.15Å |
| 78 | G | 88.6 | Confident | 86.7 | Confident | 42 Ų | 42 | 75 Ų | 75 | 43% | 0.433 | 36% | 0.363 | S | S | . | . | trans | 101.3 | 168.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A83 R87 | G78-A83 VanDerWaalsContact C-CB 3.5Å; G78-A83 VanDerWaalsContact O-CB 3.27Å; G78-A83 WeakPolarHBondContact O-CB 3.24Å; G78-R87 PolarHBondContact O-NH1 3.09Å | ||
| 79 | Q | 87.1 | Confident | 88.7 | Confident | 145 Ų | 145 | 74.2 Ų | 74.2 | 68% | 0.678 | 36% | 0.357 | S | S | * | . | trans | -121.2 | 163.8 | -176.2 | -175.2 | 58 | -3.1 | 0 | 0 | 109.6 | ||||
| 80 | G | 89.4 | Confident | 90.3 | Very high | 18 Ų | 18 | 66.9 Ų | 66.9 | 19% | 0.186 | 33% | 0.325 | C | S | . | . | S | Bend | trans | 99.1 | 179.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | D37 L82 A83 E84 | D37-G80 WeakPolarHBondContact OD1-CA 3.45Å; D37-G80 VanDerWaalsContact OD2-C 3.29Å; G80-L82 VanDerWaalsContact C-N 3.35Å; G80-L82 PolarHBondContact O-N 3.4Å; G80-A83 PolarHBondContact O-N 2.88Å; G80-E84 PolarHBondContact O-N 2.82Å |
| 81 | F | 93.1 | Very high | 91.7 | Very high | 143 Ų | 143 | 70.1 Ų | 70.1 | 63% | 0.627 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -63.4 | -36.1 | -174.3 | -177.4 | -95.6 | 0 | 0 | 0 | 113 | D37 E84 S85 | D37-F81 WeakPolarHBondContact OD2-CA 3.4Å; D37-F81 PolarHBondContact OD2-N 3.46Å; F81-E84 PolarHBondContact O-N 2.95Å; F81-S85 WeakPolarHBondContact CE1-OG 3.39Å; F81-S85 VanDerWaalsContact O-CB 3.27Å; F81-S85 WeakPolarHBondContact O-CB 3.13Å; F81-S85 PolarHBondContact O-N 3.27Å; F81-S85 PolarHBondContact O-OG 3Å |
| 82 | L | 94.6 | Very high | 92.4 | Very high | 81 Ų | 81 | 71.6 Ų | 71.6 | 42% | 0.424 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.8 | -43.7 | 175.8 | -179.8 | 62.5 | 0 | 0 | 0 | 111 | D37 A39 G80 S85 A86 | D37-L82 HydrophobicContact CB-CB 3.88Å; D37-L82 WeakPolarHBondContact O-CD2 3.39Å; D37-L82 PolarHBondContact OD2-N 3.02Å; A39-L82 HydrophobicContact CB-CD2 4.23Å; A39-L82 HydrophobicContact CB-CG 3.98Å; G80-L82 VanDerWaalsContact C-N 3.35Å; G80-L82 PolarHBondContact O-N 3.4Å; L82-S85 PolarHBondContact O-N 3.02Å; L82-A86 WeakPolarHBondContact O-CB 3.49Å; L82-A86 PolarHBondContact O-N 2.91Å |
| 83 | A | 92.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -68.3 | -37.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A39 V76 G78 G80 R87 | A39-A83 HydrophobicContact CB-CB 4.03Å; V76-A83 HydrophobicContact CG1-CB 4.38Å; G78-A83 VanDerWaalsContact C-CB 3.5Å; G78-A83 VanDerWaalsContact O-CB 3.27Å; G78-A83 WeakPolarHBondContact O-CB 3.24Å; G80-A83 PolarHBondContact O-N 2.88Å; A83-R87 VanDerWaalsContact O-CG 3.3Å; A83-R87 WeakPolarHBondContact O-CG 3.45Å; A83-R87 PolarHBondContact O-N 2.94Å; A83-R87 PolarHBondContact O-NE 2.99Å |
| 84 | E | 94.9 | Very high | 92.8 | Very high | 80 Ų | 80 | 70.8 Ų | 70.8 | 37% | 0.374 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 170.5 | -75.1 | -172.8 | -158.8 | 0 | 0 | 113.1 | G80 F81 R87 R88 | G80-E84 PolarHBondContact O-N 2.82Å; F81-E84 PolarHBondContact O-N 2.95Å; E84-R87 WeakPolarHBondContact O-CB 3.35Å; E84-R87 PolarHBondContact O-N 2.98Å; E84-R87 VanDerWaalsContact O-N 3.15Å; E84-R88 WeakPolarHBondContact O-CG 3.3Å; E84-R88 PolarHBondContact O-N 3.16Å; E84-R88 IonicContact OE2-NH2 2.89Å; E84-R88 PolarHBondContact OE2-NH2 3.45Å |
| 85 | S | 95.5 | Very high | 92.9 | Very high | 23 Ų | 23 | 73.1 Ų | 73.1 | 16% | 0.161 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -62.2 | -45.6 | 178 | -62.2 | 0 | 0 | 0 | 0 | 110.8 | F81 L82 R87 R88 Y89 | F81-S85 WeakPolarHBondContact CE1-OG 3.39Å; F81-S85 VanDerWaalsContact O-CB 3.27Å; F81-S85 WeakPolarHBondContact O-CB 3.13Å; F81-S85 PolarHBondContact O-N 3.27Å; F81-S85 PolarHBondContact O-OG 3Å; L82-S85 PolarHBondContact O-N 3.02Å; S85-R87 VanDerWaalsContact C-N 3.28Å; S85-R87 PolarHBondContact O-N 3.21Å; S85-R88 PolarHBondContact O-N 2.93Å; S85-R88 VanDerWaalsContact O-N 3.1Å; S85-Y89 WeakPolarHBondContact O-CD2 3.32Å; S85-Y89 PolarHBondContact O-N 3.24Å |
| 86 | A | 95.2 | Very high | 93 | Very high | 21 Ų | 21 | 74 Ų | 74 | 17% | 0.174 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.6 | -35.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | V76 L82 V90 | V76-A86 HydrophobicContact CG1-CB 3.9Å; V76-A86 HydrophobicContact CG2-CB 4.07Å; L82-A86 WeakPolarHBondContact O-CB 3.49Å; L82-A86 PolarHBondContact O-N 2.91Å; A86-V90 WeakPolarHBondContact O-CG2 3.34Å; A86-V90 PolarHBondContact O-N 2.95Å |
| 87 | R | 94.3 | Very high | 92.9 | Very high | 102 Ų | 102 | 75.5 Ų | 75.5 | 39% | 0.385 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 172.8 | -76.8 | -178.7 | -76.2 | -101.9 | 7.2 | 112.8 | V76 G78 A83 E84 S85 | V76-R87 HydrophobicContact CB-CG 3.7Å; V76-R87 HydrophobicContact CG1-CG 4.01Å; V76-R87 HydrophobicContact CG2-CG 4.07Å; G78-R87 PolarHBondContact O-NH1 3.09Å; A83-R87 VanDerWaalsContact O-CG 3.3Å; A83-R87 WeakPolarHBondContact O-CG 3.45Å; A83-R87 PolarHBondContact O-N 2.94Å; A83-R87 PolarHBondContact O-NE 2.99Å; E84-R87 WeakPolarHBondContact O-CB 3.35Å; E84-R87 PolarHBondContact O-N 2.98Å; E84-R87 VanDerWaalsContact O-N 3.15Å; S85-R87 VanDerWaalsContact C-N 3.28Å; S85-R87 PolarHBondContact O-N 3.21Å |
| 88 | R | 96.2 | Very high | 92.9 | Very high | 156 Ų | 156 | 75.2 Ų | 75.2 | 59% | 0.589 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -69.8 | -34.9 | 176.9 | -65.9 | 172.1 | -157.8 | 170.8 | 8.6 | 112.7 | E84 S85 | E84-R88 WeakPolarHBondContact O-CG 3.3Å; E84-R88 PolarHBondContact O-N 3.16Å; E84-R88 IonicContact OE2-NH2 2.89Å; E84-R88 PolarHBondContact OE2-NH2 3.45Å; S85-R88 PolarHBondContact O-N 2.93Å; S85-R88 VanDerWaalsContact O-N 3.1Å |
| 89 | Y | 95.8 | Very high | 92.9 | Very high | 141 Ų | 141 | 76.5 Ų | 76.5 | 55% | 0.553 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | 17.6 | -178.8 | -62.6 | -65.7 | 0 | 0 | 0 | 114.1 | S85 D91 D92 I93 | S85-Y89 WeakPolarHBondContact O-CD2 3.32Å; S85-Y89 PolarHBondContact O-N 3.24Å; Y89-D91 VanDerWaalsContact C-N 3.26Å; Y89-D91 PolarHBondContact O-N 3.41Å; Y89-D92 WeakPolarHBondContact CD1-OD2 3.31Å; Y89-D92 PolarHBondContact O-N 3.09Å; Y89-I93 WeakPolarHBondContact O-CB 3.42Å; Y89-I93 WeakPolarHBondContact O-CD1 3.3Å; Y89-I93 WeakPolarHBondContact O-CG1 3.2Å; Y89-I93 PolarHBondContact O-N 2.87Å |
| 90 | V | 94.4 | Very high | 93 | Very high | 32 Ų | 32 | 72.9 Ų | 72.9 | 19% | 0.194 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.7 | -34.2 | -176.8 | 126.5 | 0 | 0 | 0 | 0 | 112.7 | L41 V76 A86 G94 | L41-V90 HydrophobicContact CD1-CG2 4.23Å; V76-V90 HydrophobicContact CG2-CG2 3.67Å; A86-V90 WeakPolarHBondContact O-CG2 3.34Å; A86-V90 PolarHBondContact O-N 2.95Å; V90-G94 PolarHBondContact O-N 2.94Å |
| 91 | D | 92.6 | Very high | 92.9 | Very high | 128 Ų | 128 | 76.6 Ų | 76.6 | 68% | 0.684 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -72.4 | -43.3 | 179.8 | -65.2 | -37.2 | 0 | 0 | 0 | 111.6 | Y89 G94 V95 | Y89-D91 VanDerWaalsContact C-N 3.26Å; Y89-D91 PolarHBondContact O-N 3.41Å; D91-G94 CarbonylContact O-C 3.54Å; D91-G94 VanDerWaalsContact O-CA 3.31Å; D91-G94 WeakPolarHBondContact O-CA 3.43Å; D91-G94 PolarHBondContact O-N 3.44Å; D91-V95 PolarHBondContact O-N 3.25Å |
| 92 | D | 94.9 | Very high | 92.4 | Very high | 93 Ų | 93 | 74.2 Ų | 74.2 | 50% | 0.497 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 174.4 | -67.9 | -36.2 | 0 | 0 | 0 | 111.6 | Y89 G94 V95 L96 | Y89-D92 WeakPolarHBondContact CD1-OD2 3.31Å; Y89-D92 PolarHBondContact O-N 3.09Å; D92-G94 PolarHBondContact O-N 2.8Å; D92-V95 PolarHBondContact O-N 3.46Å; D92-L96 WeakPolarHBondContact O-CB 3.48Å; D92-L96 WeakPolarHBondContact O-CG 3.43Å; D92-L96 PolarHBondContact O-N 2.83Å |
| 93 | I | 93.6 | Very high | 91.8 | Very high | 50 Ų | 50 | 74.7 Ų | 74.7 | 26% | 0.256 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -56.9 | -39.7 | 170.7 | -69.4 | 165.2 | 0 | 0 | 0 | 110.1 | L41 Y89 L96 H97 | L41-I93 HydrophobicContact CD1-CG2 4.47Å; L41-I93 HydrophobicContact CD2-CG2 3.58Å; Y89-I93 WeakPolarHBondContact O-CB 3.42Å; Y89-I93 WeakPolarHBondContact O-CD1 3.3Å; Y89-I93 WeakPolarHBondContact O-CG1 3.2Å; Y89-I93 PolarHBondContact O-N 2.87Å; I93-L96 PolarHBondContact O-N 3.42Å; I93-H97 VanDerWaalsContact O-CB 3.31Å; I93-H97 WeakPolarHBondContact O-CB 3.42Å; I93-H97 PolarHBondContact O-N 2.91Å |
| 94 | G | 92.2 | Very high | 91.2 | Very high | 11 Ų | 11 | 77.2 Ų | 77.2 | 11% | 0.113 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | V90 D91 D92 A98 | V90-G94 PolarHBondContact O-N 2.94Å; D91-G94 CarbonylContact O-C 3.54Å; D91-G94 VanDerWaalsContact O-CA 3.31Å; D91-G94 WeakPolarHBondContact O-CA 3.43Å; D91-G94 PolarHBondContact O-N 3.44Å; D92-G94 PolarHBondContact O-N 2.8Å; G94-A98 VanDerWaalsContact O-CB 3.32Å; G94-A98 WeakPolarHBondContact O-CB 3.24Å; G94-A98 PolarHBondContact O-N 2.93Å |
| 95 | V | 92.1 | Very high | 89.9 | Confident | 91 Ų | 91 | 76.7 Ų | 76.7 | 55% | 0.552 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -64.4 | -44.6 | 174.8 | 174.4 | 0 | 0 | 0 | 0 | 111 | D91 D92 A98 T99 | D91-V95 PolarHBondContact O-N 3.25Å; D92-V95 PolarHBondContact O-N 3.46Å; V95-A98 PolarHBondContact O-N 3.04Å; V95-T99 HydrophobicContact CG1-CG2 4.42Å; V95-T99 WeakPolarHBondContact O-CB 3.25Å; V95-T99 WeakPolarHBondContact O-CG2 3.49Å; V95-T99 PolarHBondContact O-N 3.15Å; V95-T99 PolarHBondContact O-OG1 3.18Å |
| 96 | L | 92.5 | Very high | 88.3 | Confident | 118 Ų | 118 | 81.9 Ų | 81.9 | 62% | 0.618 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -63.9 | -42.3 | 177.8 | -71.6 | 172.7 | 0 | 0 | 0 | 112.1 | D92 I93 T99 S100 | D92-L96 WeakPolarHBondContact O-CB 3.48Å; D92-L96 WeakPolarHBondContact O-CG 3.43Å; D92-L96 PolarHBondContact O-N 2.83Å; I93-L96 PolarHBondContact O-N 3.42Å; L96-T99 WeakPolarHBondContact CA-OG1 3.32Å; L96-T99 PolarHBondContact O-OG1 3.02Å; L96-T99 VanDerWaalsContact O-OG1 3.05Å; L96-S100 WeakPolarHBondContact O-CB 3.48Å; L96-S100 PolarHBondContact O-N 2.94Å |
| 97 | H | 91.9 | Very high | 86.6 | Confident | 55 Ų | 55 | 87.2 Ų | 87.2 | 26% | 0.255 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -66.7 | -43.4 | 175.8 | 178.7 | -133.8 | 0 | 0 | 0 | 111.9 | F72 Y74 I93 S100 M101 | F72-H97 AromaticContact CD1-CE1 3.84Å; F72-H97 AromaticContact CD2-CE1 3.85Å; F72-H97 AromaticContact CD2-ND1 3.88Å; F72-H97 AromaticContact CE1-CE1 3.7Å; F72-H97 AromaticContact CE2-CE1 3.73Å; F72-H97 AromaticContact CG-CE1 3.93Å; F72-H97 AromaticContact CZ-CE1 3.65Å; Y74-H97 HydrophobicContact CE1-CB 4.33Å; Y74-H97 AromaticContact CE1-ND1 3.6Å; Y74-H97 AromaticContact CZ-ND1 3.65Å; Y74-H97 PolarHBondContact OH-ND1 3.3Å; I93-H97 VanDerWaalsContact O-CB 3.31Å; I93-H97 WeakPolarHBondContact O-CB 3.42Å; I93-H97 PolarHBondContact O-N 2.91Å; H97-S100 PolarHBondContact O-N 3.4Å; H97-M101 WeakPolarHBondContact O-CB 3.32Å; H97-M101 VanDerWaalsContact O-CG 3.3Å; H97-M101 WeakPolarHBondContact O-CG 3.36Å; H97-M101 PolarHBondContact O-N 2.84Å |
| 98 | A | 88.6 | Confident | 84.8 | Confident | 50 Ų | 50 | 89.2 Ų | 89.2 | 41% | 0.413 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | G94 V95 M101 L102 | G94-A98 VanDerWaalsContact O-CB 3.32Å; G94-A98 WeakPolarHBondContact O-CB 3.24Å; G94-A98 PolarHBondContact O-N 2.93Å; V95-A98 PolarHBondContact O-N 3.04Å; A98-M101 PolarHBondContact O-N 2.88Å; A98-L102 PolarHBondContact O-N 3.04Å |
| 99 | T | 89.4 | Confident | 82.9 | Confident | 69 Ų | 69 | 90.2 Ų | 90.2 | 42% | 0.423 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.3 | -39.7 | 176.5 | 52.2 | 0 | 0 | 0 | 0 | 112.3 | V95 L96 L102 T103 | V95-T99 HydrophobicContact CG1-CG2 4.42Å; V95-T99 WeakPolarHBondContact O-CB 3.25Å; V95-T99 WeakPolarHBondContact O-CG2 3.49Å; V95-T99 PolarHBondContact O-N 3.15Å; V95-T99 PolarHBondContact O-OG1 3.18Å; L96-T99 WeakPolarHBondContact CA-OG1 3.32Å; L96-T99 PolarHBondContact O-OG1 3.02Å; L96-T99 VanDerWaalsContact O-OG1 3.05Å; T99-L102 PolarHBondContact O-N 3.4Å; T99-T103 WeakPolarHBondContact O-CG2 3.45Å; T99-T103 PolarHBondContact O-N 3.45Å; T99-T103 PolarHBondContact O-OG1 3.28Å |
| 100 | S | 89 | Confident | 80.9 | Confident | 68 Ų | 68 | 89.2 Ų | 89.2 | 48% | 0.476 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.7 | -42.4 | 172.5 | -175.2 | 0 | 0 | 0 | 0 | 112.3 | L96 H97 L102 T103 A104 | L96-S100 WeakPolarHBondContact O-CB 3.48Å; L96-S100 PolarHBondContact O-N 2.94Å; H97-S100 PolarHBondContact O-N 3.4Å; S100-L102 PolarHBondContact O-N 3.04Å; S100-T103 PolarHBondContact O-N 2.97Å; S100-T103 PolarHBondContact O-OG1 3.49Å; S100-A104 VanDerWaalsContact O-CB 3.32Å; S100-A104 WeakPolarHBondContact O-CB 3.5Å; S100-A104 PolarHBondContact O-N 2.9Å |
| 101 | M | 86.6 | Confident | 78.6 | Confident | 96 Ų | 96 | 91 Ų | 91 | 47% | 0.473 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64.4 | -38.7 | 174.9 | -74 | -63.2 | -66.5 | 0 | 0 | 112.3 | H97 A98 Q105 | H97-M101 WeakPolarHBondContact O-CB 3.32Å; H97-M101 VanDerWaalsContact O-CG 3.3Å; H97-M101 WeakPolarHBondContact O-CG 3.36Å; H97-M101 PolarHBondContact O-N 2.84Å; A98-M101 PolarHBondContact O-N 2.88Å; M101-Q105 WeakPolarHBondContact O-CB 2.95Å; M101-Q105 PolarHBondContact O-N 3.44Å |
| 102 | L | 82.8 | Confident | 76.3 | Confident | 94 Ų | 94 | 88.6 Ų | 88.6 | 49% | 0.492 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.8 | -42.4 | 176.9 | -177 | 63.3 | 0 | 0 | 0 | 112.2 | A98 T99 S100 K106 | A98-L102 PolarHBondContact O-N 3.04Å; T99-L102 PolarHBondContact O-N 3.4Å; S100-L102 PolarHBondContact O-N 3.04Å; L102-K106 PolarHBondContact O-N 3.31Å |
| 103 | T | 82.6 | Confident | 73.8 | Confident | 91 Ų | 91 | 87.3 Ų | 87.3 | 56% | 0.558 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71.5 | -40.4 | 178.8 | 57.1 | 0 | 0 | 0 | 0 | 112.2 | T99 S100 Q105 K106 H107 | T99-T103 WeakPolarHBondContact O-CG2 3.45Å; T99-T103 PolarHBondContact O-N 3.45Å; T99-T103 PolarHBondContact O-OG1 3.28Å; S100-T103 PolarHBondContact O-N 2.97Å; S100-T103 PolarHBondContact O-OG1 3.49Å; T103-Q105 VanDerWaalsContact C-N 3.34Å; T103-Q105 PolarHBondContact O-N 2.95Å; T103-K106 WeakPolarHBondContact O-CB 3.49Å; T103-K106 PolarHBondContact O-N 2.94Å; T103-H107 PolarHBondContact O-N 3.33Å |
| 104 | A | 79.6 | Confident | 71.3 | Confident | 52 Ų | 52 | 93.5 Ų | 93.5 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.7 | -44.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S100 K106 H107 M108 | S100-A104 VanDerWaalsContact O-CB 3.32Å; S100-A104 WeakPolarHBondContact O-CB 3.5Å; S100-A104 PolarHBondContact O-N 2.9Å; A104-K106 VanDerWaalsContact C-N 3.33Å; A104-K106 PolarHBondContact O-N 2.79Å; A104-H107 PolarHBondContact O-N 2.82Å; A104-M108 PolarHBondContact O-N 2.68Å; A104-M108 VanDerWaalsContact O-N 3.14Å |
| 105 | Q | 69 | Low | 68.7 | Low | 70 Ų | 70 | 100.6 Ų | 100.6 | 33% | 0.327 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.8 | -33.4 | 176.9 | -164.4 | -157.9 | -114.1 | 0 | 0 | 112.5 | P67 M101 T103 M108 R109 | P67-Q105 VanDerWaalsContact CG-NE2 3.34Å; M101-Q105 WeakPolarHBondContact O-CB 2.95Å; M101-Q105 PolarHBondContact O-N 3.44Å; T103-Q105 VanDerWaalsContact C-N 3.34Å; T103-Q105 PolarHBondContact O-N 2.95Å; Q105-M108 PolarHBondContact O-N 3.42Å; Q105-R109 PolarHBondContact O-N 3Å |
| 106 | K | 61.8 | Low | 66.1 | Low | 132 Ų | 132 | 99.5 Ų | 99.5 | 57% | 0.574 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -63.1 | -43.8 | 173.2 | -175.7 | -178.1 | 177 | -176.8 | 0 | 111.2 | L102 T103 A104 M108 R109 Q110 | L102-K106 PolarHBondContact O-N 3.31Å; T103-K106 WeakPolarHBondContact O-CB 3.49Å; T103-K106 PolarHBondContact O-N 2.94Å; A104-K106 VanDerWaalsContact C-N 3.33Å; A104-K106 PolarHBondContact O-N 2.79Å; K106-M108 PolarHBondContact O-N 2.65Å; K106-R109 PolarHBondContact O-N 2.7Å; K106-R109 VanDerWaalsContact O-N 3.16Å; K106-Q110 PolarHBondContact O-N 2.75Å; K106-Q110 VanDerWaalsContact O-N 3.09Å |
| 107 | H | 59.7 | Low | 63.4 | Low | 132 Ų | 132 | 97.5 Ų | 97.5 | 61% | 0.611 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.2 | -41.7 | 176.6 | -171.2 | -87.8 | 0 | 0 | 0 | 112.1 | T103 A104 R109 Q110 S111 | T103-H107 PolarHBondContact O-N 3.33Å; A104-H107 PolarHBondContact O-N 2.82Å; H107-R109 VanDerWaalsContact C-N 3.3Å; H107-R109 PolarHBondContact O-N 2.77Å; H107-Q110 PolarHBondContact O-N 2.86Å; H107-S111 PolarHBondContact O-N 3.05Å |
| 108 | M | 56.4 | Low | 60.7 | Low | 144 Ų | 144 | 104.6 Ų | 104.6 | 71% | 0.709 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -58.8 | -37.7 | 174 | -74.2 | -171.5 | 70.8 | 0 | 0 | 113.2 | A104 Q105 K106 A112 | A104-M108 PolarHBondContact O-N 2.68Å; A104-M108 VanDerWaalsContact O-N 3.14Å; Q105-M108 PolarHBondContact O-N 3.42Å; K106-M108 PolarHBondContact O-N 2.65Å; M108-A112 PolarHBondContact O-N 3.32Å |
| 109 | R | 55.9 | Low | 58.4 | Low | 177 Ų | 177 | 110.6 Ų | 110.6 | 67% | 0.668 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -74 | -30.2 | 177.4 | -69.1 | -173.7 | -176.1 | -102.4 | 2.4 | 112.9 | Q105 K106 H107 | Q105-R109 PolarHBondContact O-N 3Å; K106-R109 PolarHBondContact O-N 2.7Å; K106-R109 VanDerWaalsContact O-N 3.16Å; H107-R109 VanDerWaalsContact C-N 3.3Å; H107-R109 PolarHBondContact O-N 2.77Å |
| 110 | Q | 53.3 | Low | 55.6 | Low | 121 Ų | 121 | 114.6 Ų | 114.6 | 57% | 0.565 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -72.9 | -43.2 | 174.8 | -70.7 | 179 | -35.4 | 0 | 0 | 111.6 | K106 H107 A112 G113 | K106-Q110 PolarHBondContact O-N 2.75Å; K106-Q110 VanDerWaalsContact O-N 3.09Å; H107-Q110 PolarHBondContact O-N 2.86Å; Q110-A112 PolarHBondContact O-N 3.22Å; Q110-A112 VanDerWaalsContact O-N 3.13Å; Q110-G113 PolarHBondContact O-N 3.24Å |
| 111 | S | 46.9 | Very low | 53.2 | Low | 70 Ų | 70 | 116.5 Ų | 116.5 | 49% | 0.49 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -60.1 | -21.3 | 172.9 | 158.5 | 0 | 0 | 0 | 0 | 114 | H107 | H107-S111 PolarHBondContact O-N 3.05Å |
| 112 | A | 42.7 | Very low | 50.4 | Low | 77 Ų | 77 | 117.6 Ų | 117.6 | 64% | 0.636 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -16.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | M108 Q110 | M108-A112 PolarHBondContact O-N 3.32Å; Q110-A112 PolarHBondContact O-N 3.22Å; Q110-A112 VanDerWaalsContact O-N 3.13Å |
| 113 | G | 42.9 | Very low | 48.3 | Very low | 65 Ų | 65 | 120.2 Ų | 120.2 | 67% | 0.67 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | -21.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | Q110 | Q110-G113 PolarHBondContact O-N 3.24Š|
| 114 | E | 41.8 | Very low | 45.9 | Very low | 180 Ų | 180 | 121.2 Ų | 121.2 | 84% | 0.841 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -97.2 | 0.4 | -168.4 | -132.5 | 173.9 | 163.6 | 0 | 0 | 114.5 | ||
| 115 | Q | 37.9 | Very low | 43.8 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -126.3 | 51.7 | 173.6 | -67.5 | -175.9 | 14.1 | 0 | 0 | 111.4 | ||
| 116 | G | 37.3 | Very low | 41.9 | Very low | 68 Ų | 68 | 128.6 Ų | 128.6 | 70% | 0.701 | 72% | 0.716 | S | S | * | * | trans | -139.1 | -5.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | K118 | G116-K118 PolarHBondContact O-N 3.34Š| ||
| 117 | G | 35.8 | Very low | 40.5 | Very low | 77 Ų | 77 | 128.6 Ų | 128.6 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | trans | -91.2 | 60.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114 | L119 | G117-L119 PolarHBondContact O-N 3.47Š| ||
| 118 | K | 35.1 | Very low | 39.2 | Very low | 203 Ų | 203 | 125.5 Ų | 125.5 | 88% | 0.883 | 73% | 0.732 | S | S | * | * | trans | -66.5 | 125.5 | 162.2 | -96.5 | -171.2 | 176.6 | -177.5 | 0 | 108 | G116 L120 | G116-K118 PolarHBondContact O-N 3.34Å; K118-L120 VanDerWaalsContact C-N 3.34Å; K118-L120 PolarHBondContact O-N 2.93Å | ||
| 119 | L | 40.6 | Very low | 38.2 | Very low | 176 Ų | 176 | 129.2 Ų | 129.2 | 92% | 0.921 | 74% | 0.739 | S | S | * | * | trans | -53.9 | 94.8 | 167.7 | -71.6 | 159.6 | 0 | 0 | 0 | 109.7 | G117 | G117-L119 PolarHBondContact O-N 3.47Š| ||
| 120 | L | 31.1 | Very low | 37.1 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | trans | -98.9 | 104.1 | 157.2 | -168.6 | 73 | 0 | 0 | 0 | 106.5 | K118 D122 | K118-L120 VanDerWaalsContact C-N 3.34Å; K118-L120 PolarHBondContact O-N 2.93Å; L120-D122 PolarHBondContact O-N 2.92Å | ||
| 121 | V | 36.9 | Very low | 36 | Very low | 108 Ų | 108 | 129.9 Ų | 129.9 | 66% | 0.655 | 76% | 0.76 | S | S | * | * | trans | -66.3 | 102 | 165.4 | 174.2 | 0 | 0 | 0 | 0 | 106.4 | L123 | V121-L123 HydrophobicContact CG1-CB 4.2Å; V121-L123 HydrophobicContact CG1-CD1 3.67Å; V121-L123 HydrophobicContact CG1-CG 3.7Å; V121-L123 PolarHBondContact O-N 2.81Å | ||
| 122 | D | 27.9 | Very low | 35.4 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 64% | 0.642 | 77% | 0.771 | S | S | * | * | trans | -77.9 | 79.8 | 171.8 | -154.6 | -20.6 | 0 | 0 | 0 | 109 | L120 T124 | L120-D122 PolarHBondContact O-N 2.92Å; D122-T124 PolarHBondContact O-N 3.11Å; D122-T124 VanDerWaalsContact O-N 3.1Å; D122-T124 PolarHBondContact OD1-OG1 3.25Å | ||
| 123 | L | 38.7 | Very low | 35 | Very low | 148 Ų | 148 | 138 Ų | 138 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | trans | -79.8 | 68 | 169.3 | -100.8 | 162.8 | 0 | 0 | 0 | 108.9 | V121 | V121-L123 HydrophobicContact CG1-CB 4.2Å; V121-L123 HydrophobicContact CG1-CD1 3.67Å; V121-L123 HydrophobicContact CG1-CG 3.7Å; V121-L123 PolarHBondContact O-N 2.81Å | ||
| 124 | T | 32.7 | Very low | 34.9 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 69% | 0.693 | 79% | 0.794 | S | S | * | * | trans | -119.9 | 117.8 | 161.1 | 52.8 | 0 | 0 | 0 | 0 | 109.6 | D122 | D122-T124 PolarHBondContact O-N 3.11Å; D122-T124 VanDerWaalsContact O-N 3.1Å; D122-T124 PolarHBondContact OD1-OG1 3.25Å | ||
| 125 | S | 35.2 | Very low | 34.4 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -73 | 134.4 | -168.7 | -46.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 126 | D | 29.7 | Very low | 34.2 | Very low | 161 Ų | 161 | 137.4 Ų | 137.4 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -134.6 | 154.1 | 143.4 | -153.6 | -1.9 | 0 | 0 | 0 | 111.3 | ||||
| 127 | T | 32.8 | Very low | 34 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 82% | 0.816 | 80% | 0.795 | S | S | * | * | trans | -113.6 | 112.9 | -151.6 | -56.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 128 | G | 30.8 | Very low | 33.9 | Very low | 67 Ų | 67 | 139.5 Ų | 139.5 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | -174.5 | 113.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 129 | Y | 35.7 | Very low | 34.5 | Very low | 222 Ų | 222 | 136.9 Ų | 136.9 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | trans | 64.4 | 81.5 | 152.9 | -83.4 | -94.2 | 0 | 0 | 0 | 120.9 | ||||
| 130 | R | 32.3 | Very low | 34.1 | Very low | 238 Ų | 238 | 131.9 Ų | 131.9 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | 44.5 | 110.3 | 113.2 | -175.1 | -167 | -72.7 | -113.4 | 2.1 | 118 | |||||
| 131 | G | 31.4 | Very low | 34.3 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 76% | 0.763 | 79% | 0.788 | S | S | * | * | trans | 175.7 | 62 | 163.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 132 | S | 33.9 | Very low | 34.3 | Very low | 104 Ų | 104 | 130.1 Ų | 130.1 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | trans | -83.3 | 131.8 | 178.5 | -165.5 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 133 | F | 35.1 | Very low | 35 | Very low | 212 Ų | 212 | 129.7 Ų | 129.7 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | -148.5 | 127.3 | 150.2 | -64.5 | -66.4 | 0 | 0 | 0 | 111.2 | ||||
| 134 | T | 39.2 | Very low | 35.3 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | trans | -86.1 | 141.8 | 169 | 48.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 135 | G | 31.4 | Very low | 35.6 | Very low | 82 Ų | 82 | 127.5 Ų | 127.5 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | -162.8 | 132.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 136 | D | 34.1 | Very low | 36.2 | Very low | 170 Ų | 170 | 128 Ų | 128 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | -92.2 | 157.8 | -176.3 | -179.7 | 28.4 | 0 | 0 | 0 | 112.2 | ||||
| 137 | G | 34.2 | Very low | 37.3 | Very low | 53 Ų | 53 | 129.9 Ų | 129.9 | 55% | 0.546 | 79% | 0.785 | S | S | . | * | trans | 90.4 | 126.6 | 153.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 138 | V | 34 | Very low | 37.9 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 83% | 0.83 | 78% | 0.783 | S | S | * | * | trans | 79.9 | 108.9 | 143.5 | -174.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 139 | V | 45.9 | Very low | 38.7 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | trans | 39.6 | 101.7 | 141.6 | -170.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 140 | G | 33.2 | Very low | 39.4 | Very low | 72 Ų | 72 | 129.6 Ų | 129.6 | 74% | 0.742 | 78% | 0.777 | S | S | * | * | trans | -148 | 126.4 | 161.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 141 | G | 34.8 | Very low | 40.2 | Very low | 78 Ų | 78 | 126.8 Ų | 126.8 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -67 | 136.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S143 | G141-S143 VanDerWaalsContact C-N 3.28Å; G141-S143 PolarHBondContact O-N 3.4Å | ||
| 142 | V | 37.2 | Very low | 41.2 | Very low | 146 Ų | 146 | 128 Ų | 128 | 89% | 0.885 | 77% | 0.77 | S | S | * | * | trans | -70.4 | 85.5 | 169.8 | -73.7 | 0 | 0 | 0 | 0 | 110 | P144 | V142-P144 VanDerWaalsContact O-CD 3.31Å; V142-P144 WeakPolarHBondContact O-CD 3.29Å | ||
| 143 | S | 43 | Very low | 42.2 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | trans | -58.1 | 115.6 | 167.3 | -175 | 0 | 0 | 0 | 0 | 108.5 | G141 N145 | G141-S143 VanDerWaalsContact C-N 3.28Å; G141-S143 PolarHBondContact O-N 3.4Å; S143-N145 PolarHBondContact O-N 3.16Å | ||
| 144 | P | 44.1 | Very low | 42.8 | Very low | 106 Ų | 106 | 128 Ų | 128 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | trans | -62.9 | 140 | 178.6 | 26.5 | -32.9 | 0 | 0 | 0 | 109.2 | V142 N146 | V142-P144 VanDerWaalsContact O-CD 3.31Å; V142-P144 WeakPolarHBondContact O-CD 3.29Å; P144-N146 PolarHBondContact O-N 3.46Å | ||
| 145 | N | 40.3 | Very low | 43.4 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 59% | 0.588 | 75% | 0.754 | S | S | * | * | trans | -69.1 | 94.1 | -168.6 | -163 | -14.9 | 0 | 0 | 0 | 110.9 | S143 R147 L148 | S143-N145 PolarHBondContact O-N 3.16Å; N145-R147 PolarHBondContact O-N 3.44Å; N145-R147 WeakPolarHBondContact OD1-CG 3.45Å; N145-L148 PolarHBondContact O-N 3.45Å | ||
| 146 | N | 46.4 | Very low | 44.7 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 67% | 0.674 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -59.3 | -6 | -175.5 | -113.2 | 8.4 | 0 | 0 | 0 | 114.7 | P144 L148 F149 | P144-N146 PolarHBondContact O-N 3.46Å; N146-L148 PolarHBondContact O-N 3.09Å; N146-F149 PolarHBondContact O-N 3.26Å |
| 147 | R | 52.9 | Low | 45.4 | Very low | 200 Ų | 200 | 130.4 Ų | 130.4 | 76% | 0.755 | 75% | 0.745 | S | S | * | * | G | 310 helix | trans | -66.3 | -16.6 | 177.3 | -63.3 | -177 | -177.1 | -161.4 | 1 | 114.3 | N145 | N145-R147 PolarHBondContact O-N 3.44Å; N145-R147 WeakPolarHBondContact OD1-CG 3.45Å |
| 148 | L | 45.9 | Very low | 45.9 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 78% | 0.775 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -76.9 | -18.2 | -179.6 | -69.4 | 171.6 | 0 | 0 | 0 | 114.4 | N145 N146 | N145-L148 PolarHBondContact O-N 3.45Å; N146-L148 PolarHBondContact O-N 3.09Å |
| 149 | F | 48.4 | Very low | 46.5 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 75% | 0.754 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.9 | -16.5 | -179.2 | -71.1 | -80 | 0 | 0 | 0 | 114.1 | N146 Q151 | N146-F149 PolarHBondContact O-N 3.26Å; F149-Q151 VanDerWaalsContact C-N 3.32Å; F149-Q151 PolarHBondContact O-N 2.93Å |
| 150 | S | 49 | Very low | 46.4 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 67% | 0.671 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 5.9 | -175.7 | -62.2 | 0 | 0 | 0 | 0 | 116.1 | ||
| 151 | Q | 50.7 | Low | 46.6 | Very low | 179 Ų | 179 | 132.3 Ų | 132.3 | 84% | 0.836 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -1.6 | -178.3 | -67.1 | -166.7 | -10.6 | 0 | 0 | 114.6 | F149 | F149-Q151 VanDerWaalsContact C-N 3.32Å; F149-Q151 PolarHBondContact O-N 2.93Å |
| 152 | S | 50.9 | Low | 46.8 | Very low | 98 Ų | 98 | 133.5 Ų | 133.5 | 69% | 0.685 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -102.8 | 0.9 | -174.4 | -54.2 | 0 | 0 | 0 | 0 | 115.1 | ||
| 153 | Y | 55.9 | Low | 46.6 | Very low | 203 Ų | 203 | 131.6 Ų | 131.6 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -139.8 | 142.3 | 176.9 | -75.2 | -82.9 | 0 | 0 | 0 | 111.3 | S155 | Y153-S155 PolarHBondContact O-N 3.48Š|
| 154 | P | 47.9 | Very low | 46.2 | Very low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | trans | -61.9 | 126.8 | 168.3 | -18.1 | 31.3 | 0 | 0 | 0 | 110.1 | I156 | P154-I156 PolarHBondContact O-N 2.9Å; P154-I156 VanDerWaalsContact O-N 3.13Å | ||
| 155 | S | 50.7 | Low | 45.6 | Very low | 92 Ų | 92 | 138.2 Ų | 138.2 | 64% | 0.643 | 74% | 0.742 | S | S | * | * | trans | -70.5 | 110.2 | 177.2 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | Y153 Y157 | Y153-S155 PolarHBondContact O-N 3.48Å; S155-Y157 VanDerWaalsContact C-N 3.32Å | ||
| 156 | I | 58.7 | Low | 45.1 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 75% | 0.754 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -86.1 | -0.9 | 173.4 | 49.8 | 173.1 | 0 | 0 | 0 | 113.3 | P154 | P154-I156 PolarHBondContact O-N 2.9Å; P154-I156 VanDerWaalsContact O-N 3.13Å |
| 157 | Y | 49.4 | Very low | 44.2 | Very low | 204 Ų | 204 | 134.7 Ų | 134.7 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | -119 | 60.6 | 176.9 | -66.2 | -76.9 | 0 | 0 | 0 | 111.5 | S155 | S155-Y157 VanDerWaalsContact C-N 3.32Š| ||
| 158 | S | 44 | Very low | 43.1 | Very low | 95 Ų | 95 | 128.5 Ų | 128.5 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | trans | -100.8 | 112.8 | 155.6 | -66.1 | 0 | 0 | 0 | 0 | 107.2 | D160 | S158-D160 PolarHBondContact O-N 2.83Š| ||
| 159 | P | 46.7 | Very low | 42.6 | Very low | 124 Ų | 124 | 130.1 Ų | 130.1 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | trans | -69.7 | 120.5 | 175.3 | 28.3 | -31.8 | 0 | 0 | 0 | 109.2 | ||||
| 160 | D | 44.9 | Very low | 41.7 | Very low | 170 Ų | 170 | 129.5 Ų | 129.5 | 91% | 0.909 | 77% | 0.769 | S | S | * | * | trans | -64.8 | 137.3 | 164 | -165.8 | 3.2 | 0 | 0 | 0 | 108.9 | S158 | S158-D160 PolarHBondContact O-N 2.83Š| ||
| 161 | G | 36.6 | Very low | 40.9 | Very low | 60 Ų | 60 | 128.6 Ų | 128.6 | 62% | 0.619 | 78% | 0.775 | S | S | * | * | trans | -171.9 | 34 | -153 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 162 | S | 38.6 | Very low | 39.9 | Very low | 103 Ų | 103 | 126.6 Ų | 126.6 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | 39.6 | 122.9 | 148.3 | 61.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 163 | S | 33.7 | Very low | 39.1 | Very low | 105 Ų | 105 | 131.3 Ų | 131.3 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | 155.6 | 125.4 | 106 | -68.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 164 | Q | 34.6 | Very low | 38.1 | Very low | 181 Ų | 181 | 129.6 Ų | 129.6 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | 54 | 149.5 | 152.7 | -71.9 | -177.7 | -18.7 | 0 | 0 | 120.2 | ||||
| 165 | Q | 32.2 | Very low | 37.6 | Very low | 174 Ų | 174 | 133.7 Ų | 133.7 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | cis | -173.6 | 146.6 | -14.6 | 167.4 | 173.4 | -38.1 | 0 | 0 | 107.2 | ||||
| 166 | G | 29.7 | Very low | 36.7 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | cis | 161 | 137.4 | -8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 167 | G | 26.5 | Very low | 35.6 | Very low | 88 Ų | 88 | 140 Ų | 140 | 91% | 0.907 | 79% | 0.787 | S | S | * | * | trans | 153.2 | 135.1 | -178 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 168 | G | 29.2 | Very low | 34.5 | Very low | 70 Ų | 70 | 136 Ų | 136 | 72% | 0.722 | 79% | 0.789 | S | S | * | * | cis | -178.1 | 151 | -8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 169 | Q | 36.7 | Very low | 34 | Very low | 182 Ų | 182 | 136.2 Ų | 136.2 | 85% | 0.85 | 80% | 0.797 | S | S | * | * | trans | 73.5 | 143 | 156.8 | -64.2 | -173.6 | -27.2 | 0 | 0 | 122.5 | ||||
| 170 | N | 29.8 | Very low | 33.2 | Very low | 158 Ų | 158 | 135.7 Ų | 135.7 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | 73 | 132.1 | 163.4 | -57.3 | -18.8 | 0 | 0 | 0 | 118.1 | ||||
| 171 | G | 30.7 | Very low | 32.7 | Very low | 78 Ų | 78 | 136 Ų | 136 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | cis | -161.9 | 146.4 | -0.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 172 | N | 30.7 | Very low | 32.4 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 73% | 0.733 | 79% | 0.792 | S | S | * | * | trans | -63.4 | 132.5 | -172.6 | 178.6 | 14.5 | 0 | 0 | 0 | 115.1 | E174 | N172-E174 PolarHBondContact OD1-N 3.37Š| ||
| 173 | Q | 33.8 | Very low | 32 | Very low | 196 Ų | 196 | 141 Ų | 141 | 92% | 0.916 | 79% | 0.791 | S | S | * | * | trans | -156.5 | 103.9 | 136.2 | -129.7 | 174 | 13.8 | 0 | 0 | 112.7 | ||||
| 174 | E | 35.4 | Very low | 31.8 | Very low | 168 Ų | 168 | 146.7 Ų | 146.7 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -80.9 | 158.6 | 162.9 | -56.9 | 177.9 | 140.5 | 0 | 0 | 110.7 | N172 | N172-E174 PolarHBondContact OD1-N 3.37Š| ||
| 175 | R | 38.1 | Very low | 31.5 | Very low | 201 Ų | 201 | 141.8 Ų | 141.8 | 76% | 0.758 | 79% | 0.794 | S | S | * | * | 143.2 | 135.7 | 116.4 | -170.3 | 164.7 | 178.5 | 147.9 | 11.1 | 116.5 | |||||
| 176 | E | 30.2 | Very low | 31.9 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 62% | 0.617 | 80% | 0.801 | S | S | * | * | trans | 61.8 | 119.2 | 161 | -75.9 | 154.5 | 179.5 | 0 | 0 | 118.8 | ||||
| 177 | R | 35.7 | Very low | 32 | Very low | 238 Ų | 238 | 151.5 Ų | 151.5 | 90% | 0.898 | 81% | 0.808 | S | S | * | * | 67.9 | 108.6 | 63.1 | -75.1 | -172.5 | 172.2 | -175 | -1.2 | 114.8 | |||||
| 178 | S | 27.8 | Very low | 32.3 | Very low | 121 Ų | 121 | 159.1 Ų | 159.1 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | -172 | 135.3 | 128.6 | 53.4 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 179 | A | 32.3 | Very low | 32.6 | Very low | 100 Ų | 100 | 160.4 Ų | 160.4 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -122.3 | 136.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 180 | T | 30.6 | Very low | 32.2 | Very low | 113 Ų | 113 | 155.6 Ų | 155.6 | 69% | 0.693 | 81% | 0.812 | S | S | * | * | trans | -167.3 | 117.2 | 169.6 | 24 | 0 | 0 | 0 | 0 | 105.4 | ||||
| 181 | E | 33.3 | Very low | 32.4 | Very low | 176 Ų | 176 | 155.6 Ų | 155.6 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | 70.4 | 145.4 | 97.6 | -75.9 | -169.4 | 132.7 | 0 | 0 | 113.8 | |||||
| 182 | V | 31.6 | Very low | 32.8 | Very low | 119 Ų | 119 | 158.6 Ų | 158.6 | 72% | 0.721 | 81% | 0.814 | S | S | * | * | cis | 176 | 151.5 | -20.9 | 124.4 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 183 | E | 29.3 | Very low | 32.8 | Very low | 149 Ų | 149 | 158.4 Ų | 158.4 | 70% | 0.696 | 81% | 0.812 | S | S | * | * | trans | 74.2 | 134.5 | 163.5 | -128.9 | -169.9 | 109.9 | 0 | 0 | 122.6 | ||||
| 184 | R | 30.1 | Very low | 33 | Very low | 225 Ų | 225 | 155.2 Ų | 155.2 | 85% | 0.849 | 80% | 0.801 | S | S | * | * | 110.7 | 116.4 | 127.4 | -151.1 | 175.7 | -170.6 | 107.1 | -10.2 | 117.3 | |||||
| 185 | G | 29 | Very low | 32.9 | Very low | 77 Ų | 77 | 154.3 Ų | 154.3 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 168.5 | 44.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 186 | R | 39.1 | Very low | 33 | Very low | 256 Ų | 256 | 152 Ų | 152 | 97% | 0.966 | 80% | 0.795 | S | S | * | * | trans | -84.7 | 121.3 | 172.1 | -152 | -171.5 | -162.5 | -153.8 | 7.3 | 109.1 | ||||
| 187 | Q | 31.6 | Very low | 33.1 | Very low | 197 Ų | 197 | 153.5 Ų | 153.5 | 92% | 0.921 | 80% | 0.801 | S | S | * | * | trans | -136.9 | 143 | 168.4 | -70 | -168.7 | -0.4 | 0 | 0 | 111.5 | ||||
| 188 | R | 34 | Very low | 32.8 | Very low | 248 Ų | 248 | 145.2 Ų | 145.2 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | trans | -143.9 | 150.8 | -178.3 | -178.4 | -169 | 177.9 | -163.7 | 0.3 | 108 | ||||
| 189 | A | 34.7 | Very low | 33.1 | Very low | 98 Ų | 98 | 147.8 Ų | 147.8 | 81% | 0.81 | 79% | 0.789 | S | S | * | * | trans | 88.3 | 139.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 190 | G | 27.6 | Very low | 33.2 | Very low | 80 Ų | 80 | 152.5 Ų | 152.5 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | trans | 173.5 | 109.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 191 | I | 34.4 | Very low | 33.5 | Very low | 158 Ų | 158 | 151.2 Ų | 151.2 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -122.3 | 142.1 | -175.3 | -45.1 | 165 | 0 | 0 | 0 | 106.5 | ||||
| 192 | V | 38.8 | Very low | 33.6 | Very low | 142 Ų | 142 | 150.8 Ų | 150.8 | 86% | 0.861 | 79% | 0.792 | S | S | * | * | trans | -136 | 141.1 | 164.9 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 193 | D | 31.5 | Very low | 33.7 | Very low | 133 Ų | 133 | 152.3 Ų | 152.3 | 71% | 0.711 | 79% | 0.792 | S | S | * | * | trans | -112 | -162.4 | -168.6 | -150.3 | -16.5 | 0 | 0 | 0 | 110.6 | ||||
| 194 | L | 37.1 | Very low | 34 | Very low | 129 Ų | 129 | 152.9 Ų | 152.9 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | trans | 94.5 | 107.9 | 179.2 | -64.9 | 121.5 | 0 | 0 | 0 | 114.1 | ||||
| 195 | E | 33.3 | Very low | 34.1 | Very low | 148 Ų | 148 | 149.7 Ų | 149.7 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | 80.4 | 141.2 | 69.4 | -68.5 | 159.4 | -139.5 | 0 | 0 | 110.7 | |||||
| 196 | E | 40.6 | Very low | 34.3 | Very low | 154 Ų | 154 | 154.2 Ų | 154.2 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | cis | -162.3 | 165.2 | 21 | -153.2 | 169.6 | -165.9 | 0 | 0 | 111.3 | ||||
| 197 | E | 33.7 | Very low | 34.1 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 76% | 0.757 | 78% | 0.784 | S | S | * | * | trans | 20 | 159.3 | 155.1 | -71.6 | 172 | 172.7 | 0 | 0 | 124.5 | ||||
| 198 | G | 28.5 | Very low | 34.4 | Very low | 64 Ų | 64 | 148 Ų | 148 | 66% | 0.66 | 78% | 0.779 | S | S | * | * | cis | -160.7 | 149.5 | 2.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 199 | E | 33.7 | Very low | 34.7 | Very low | 176 Ų | 176 | 143.3 Ų | 143.3 | 82% | 0.822 | 77% | 0.772 | S | S | * | * | 79.6 | 109.4 | 77.8 | -71.4 | -160.8 | -178.9 | 0 | 0 | 115.3 | |||||
| 200 | E | 34.9 | Very low | 34.9 | Very low | 199 Ų | 199 | 145.1 Ų | 145.1 | 93% | 0.93 | 76% | 0.764 | S | S | * | * | -136.3 | 116.5 | 129.4 | -77.8 | -166.4 | 169.9 | 0 | 0 | 107 | |||||
| 201 | A | 36.6 | Very low | 35.4 | Very low | 85 Ų | 85 | 151.3 Ų | 151.3 | 70% | 0.702 | 76% | 0.762 | S | S | * | * | trans | -80 | 161.7 | 163.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 202 | E | 35.1 | Very low | 35.8 | Very low | 167 Ų | 167 | 155.5 Ų | 155.5 | 78% | 0.78 | 77% | 0.768 | S | S | * | * | 170.2 | 157.4 | 90 | -82.8 | 167.7 | -170.6 | 0 | 0 | 103.3 | |||||
| 203 | E | 35 | Very low | 36.5 | Very low | 152 Ų | 152 | 154.1 Ų | 154.1 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | cis | -166.5 | 167.5 | -3.5 | -109.2 | 167.9 | -172.7 | 0 | 0 | 103.6 | ||||
| 204 | E | 34.3 | Very low | 37 | Very low | 160 Ų | 160 | 159.2 Ų | 159.2 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | cis | -167 | 144.6 | 36.9 | -121.9 | 163.5 | 179.7 | 0 | 0 | 106 | ||||
| 205 | E | 33 | Very low | 37.5 | Very low | 159 Ų | 159 | 156 Ų | 156 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | 48.1 | 143.5 | 136.8 | -50.2 | -54.2 | 164.9 | 0 | 0 | 121.7 | ||||
| 206 | E | 32.7 | Very low | 37.7 | Very low | 171 Ų | 171 | 157 Ų | 157 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | cis | -152.8 | 143.5 | 2 | -98.1 | 147.6 | -155.1 | 0 | 0 | 104.6 | ||||
| 207 | D | 36.1 | Very low | 38 | Very low | 160 Ų | 160 | 159.3 Ų | 159.3 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | -170 | 155.1 | 86.4 | -168.6 | 10.1 | 0 | 0 | 0 | 110 | |||||
| 208 | M | 35.9 | Very low | 38.8 | Very low | 164 Ų | 164 | 157.1 Ų | 157.1 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | trans | -94.8 | 132.8 | -165.9 | -60.9 | -123.7 | -170.8 | 0 | 0 | 113.7 | ||||
| 209 | D | 41.9 | Very low | 39.8 | Very low | 149 Ų | 149 | 159 Ų | 159 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | 178.9 | 110.1 | 106.6 | -101.6 | -25.6 | 0 | 0 | 0 | 113.3 | |||||
| 210 | E | 39 | Very low | 40.7 | Very low | 136 Ų | 136 | 154 Ų | 154 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | 52.1 | 99.5 | 122.7 | -156.6 | 53.4 | -148.3 | 0 | 0 | 119.8 | |||||
| 211 | R | 38 | Very low | 41.8 | Very low | 209 Ų | 209 | 150.2 Ų | 150.2 | 79% | 0.789 | 79% | 0.79 | S | S | * | * | 99.9 | 72.1 | 126.2 | -152.1 | 179.4 | -164 | 104.1 | -3.9 | 122.1 | |||||
| 212 | R | 43 | Very low | 42.3 | Very low | 247 Ų | 247 | 156.4 Ų | 156.4 | 93% | 0.932 | 80% | 0.801 | S | S | * | * | 62.9 | 160.3 | 127.2 | -79.3 | -164.8 | -174.5 | -155.9 | 3.4 | 120.9 | |||||
| 213 | P | 53.1 | Low | 43.3 | Very low | 113 Ų | 113 | 153.2 Ų | 153.2 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | trans | -99.4 | 176.1 | -155.5 | 39.4 | -37.3 | 0 | 0 | 0 | 115.8 | ||||
| 214 | Y | 42.3 | Very low | 44.3 | Very low | 240 Ų | 240 | 153.6 Ų | 153.6 | 94% | 0.941 | 80% | 0.801 | S | S | * | * | trans | 90.4 | 109.9 | -180 | -87.5 | -92.7 | 0 | 0 | 0 | 117.7 | ||||
| 215 | G | 46 | Very low | 45.3 | Very low | 61 Ų | 61 | 152.2 Ų | 152.2 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | trans | 108.5 | 142.9 | 151.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 216 | N | 39.1 | Very low | 46.6 | Very low | 169 Ų | 169 | 152.4 Ų | 152.4 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | 84.6 | 75.7 | 158.9 | -38.8 | -31.3 | 0 | 0 | 0 | 117.6 | S218 | N216-S218 PolarHBondContact O-N 2.94Š| ||
| 217 | E | 46.9 | Very low | 47.8 | Very low | 202 Ų | 202 | 151 Ų | 151 | 94% | 0.944 | 80% | 0.798 | S | S | * | * | trans | -86.3 | 96.5 | 156.6 | 63.9 | -172.2 | 152.3 | 0 | 0 | 110.7 | ||||
| 218 | S | 50.3 | Low | 48.9 | Very low | 117 Ų | 117 | 148.1 Ų | 148.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -158.8 | 96.6 | 165.4 | -159.4 | 0 | 0 | 0 | 0 | 110.9 | N216 | N216-S218 PolarHBondContact O-N 2.94Š| ||
| 219 | A | 48.8 | Very low | 49.7 | Very low | 102 Ų | 102 | 147.9 Ų | 147.9 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | trans | 178.4 | 100.9 | 147.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 220 | G | 52.7 | Low | 50.3 | Low | 73 Ų | 73 | 145.9 Ų | 145.9 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | 96.9 | 156.4 | 141.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 221 | V | 57.3 | Low | 51.2 | Low | 119 Ų | 119 | 149.3 Ų | 149.3 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | S | Bend | cis | -145.8 | 96.7 | -15.2 | -176.6 | 0 | 0 | 0 | 0 | 108.9 | ||
| 222 | F | 48.8 | Very low | 52.1 | Low | 214 Ų | 214 | 146.2 Ų | 146.2 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | trans | -134.3 | 103.2 | 142.3 | -74 | -71.3 | 0 | 0 | 0 | 106 | M224 | F222-M224 PolarHBondContact O-N 3.18Š| ||
| 223 | S | 55.7 | Low | 52.2 | Low | 100 Ų | 100 | 140.6 Ų | 140.6 | 70% | 0.699 | 79% | 0.792 | S | S | * | * | trans | -60.2 | 127.9 | 176.4 | -49 | 0 | 0 | 0 | 0 | 108.5 | D225 | S223-D225 PolarHBondContact O-N 2.99Š| ||
| 224 | M | 56.4 | Low | 52.4 | Low | 161 Ų | 161 | 141.6 Ų | 141.6 | 79% | 0.793 | 79% | 0.787 | S | S | * | * | trans | -80.7 | 101.8 | 165.9 | -169.4 | 149.7 | 70.6 | 0 | 0 | 107.2 | F222 E226 | F222-M224 PolarHBondContact O-N 3.18Å; M224-E226 VanDerWaalsContact C-N 3.34Å; M224-E226 HydrophobicContact CG-CG 4.43Å; M224-E226 PolarHBondContact O-N 3.13Å | ||
| 225 | D | 53.8 | Low | 53.3 | Low | 131 Ų | 131 | 136.1 Ų | 136.1 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -68.7 | 89.8 | 171 | 42.1 | -59 | 0 | 0 | 0 | 109.9 | S223 D227 | S223-D225 PolarHBondContact O-N 2.99Å; D225-D227 PolarHBondContact O-N 3.19Å | ||
| 226 | E | 60.3 | Low | 53.9 | Low | 163 Ų | 163 | 142 Ų | 142 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -68.1 | 28.3 | 176.8 | -71 | -166.1 | 81.8 | 0 | 0 | 114.2 | M224 | M224-E226 VanDerWaalsContact C-N 3.34Å; M224-E226 HydrophobicContact CG-CG 4.43Å; M224-E226 PolarHBondContact O-N 3.13Å | ||
| 227 | D | 58.8 | Low | 54.1 | Low | 141 Ų | 141 | 140.3 Ų | 140.3 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | -130.4 | 36 | -169.5 | -80.4 | -49.2 | 0 | 0 | 0 | 113.7 | D225 | D225-D227 PolarHBondContact O-N 3.19Š| ||
| 228 | S | 57.8 | Low | 54.1 | Low | 100 Ų | 100 | 138.9 Ų | 138.9 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -156.8 | 55.7 | 171.3 | -85.2 | 0 | 0 | 0 | 0 | 117.5 | ||
| 229 | I | 53.1 | Low | 54.3 | Low | 158 Ų | 158 | 139.6 Ų | 139.6 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -152.3 | 27.8 | 130.4 | -137.5 | 71.5 | 0 | 0 | 0 | 113.7 | R231 | I229-R231 PolarHBondContact O-N 2.94Š|
| 230 | S | 55.7 | Low | 54.4 | Low | 108 Ų | 108 | 142.1 Ų | 142.1 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | trans | -74.7 | 43.3 | 177.1 | -53.2 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 231 | R | 56.5 | Low | 54.6 | Low | 208 Ų | 208 | 141.1 Ų | 141.1 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -148 | 137 | 168.1 | -68 | -160.3 | 171.5 | -177.5 | -3.6 | 110.7 | I229 | I229-R231 PolarHBondContact O-N 2.94Š|
| 232 | D | 57.1 | Low | 54.5 | Low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 79.9 | 33.2 | 159.7 | -41.8 | -25 | 0 | 0 | 0 | 118.8 | ||
| 233 | C | 45.9 | Very low | 54.7 | Low | 130 Ų | 130 | 142.9 Ų | 142.9 | 88% | 0.878 | 76% | 0.764 | S | S | * | * | trans | -126.9 | 65.2 | 153.7 | -81.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 234 | E | 57.2 | Low | 54.4 | Low | 134 Ų | 134 | 146.9 Ų | 146.9 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | trans | -67.9 | 131.1 | 179 | -67 | -171.1 | 117.2 | 0 | 0 | 111.2 | F236 F237 | E234-F236 PolarHBondContact O-N 3.34Å; E234-F237 HydrophobicContact CB-CD2 4.04Å; E234-F237 HydrophobicContact CG-CD2 4.4Å; E234-F237 WeakPolarHBondContact OE1-CE2 3.4Å; E234-F237 WeakPolarHBondContact OE2-CD2 3.45Å; E234-F237 WeakPolarHBondContact OE2-CE2 3.34Å | ||
| 235 | P | 61.2 | Low | 54 | Low | 124 Ų | 124 | 144.7 Ų | 144.7 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -76.7 | -8.2 | -174.8 | 30.1 | -35.6 | 0 | 0 | 0 | 114.1 | ||
| 236 | F | 57.9 | Low | 53.8 | Low | 184 Ų | 184 | 144.5 Ų | 144.5 | 81% | 0.807 | 78% | 0.776 | S | S | * | * | trans | -156.4 | 91.7 | 179.8 | -91.2 | -83.6 | 0 | 0 | 0 | 111 | E234 | E234-F236 PolarHBondContact O-N 3.34Š| ||
| 237 | F | 44.7 | Very low | 53.4 | Low | 135 Ų | 135 | 143.2 Ų | 143.2 | 59% | 0.592 | 78% | 0.775 | S | S | * | * | trans | -134.5 | 123 | 147 | -82.5 | -79.5 | 0 | 0 | 0 | 111.1 | E234 | E234-F237 HydrophobicContact CB-CD2 4.04Å; E234-F237 HydrophobicContact CG-CD2 4.4Å; E234-F237 WeakPolarHBondContact OE1-CE2 3.4Å; E234-F237 WeakPolarHBondContact OE2-CD2 3.45Å; E234-F237 WeakPolarHBondContact OE2-CE2 3.34Å | ||
| 238 | E | 47.1 | Very low | 52.8 | Low | 171 Ų | 171 | 139.6 Ų | 139.6 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | trans | 64.6 | 110.2 | 140.7 | -66.4 | 168.2 | 171.4 | 0 | 0 | 118.6 | D240 | E238-D240 PolarHBondContact O-N 3.34Š| ||
| 239 | S | 52.9 | Low | 53 | Low | 132 Ų | 132 | 139.9 Ų | 139.9 | 92% | 0.923 | 77% | 0.773 | S | S | * | * | trans | -49.1 | 121.5 | 146.2 | -57.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 240 | D | 51.4 | Low | 52.3 | Low | 156 Ų | 156 | 140.1 Ų | 140.1 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | trans | -122.7 | 144.9 | 143.9 | -163.6 | 9.4 | 0 | 0 | 0 | 107.4 | E238 | E238-D240 PolarHBondContact O-N 3.34Š| ||
| 241 | G | 56.2 | Low | 51.9 | Low | 52 Ų | 52 | 140 Ų | 140 | 54% | 0.536 | 77% | 0.774 | S | S | . | * | trans | -66.2 | 178.2 | -163.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 242 | E | 55.6 | Low | 51.6 | Low | 179 Ų | 179 | 139 Ų | 139 | 84% | 0.836 | 78% | 0.778 | S | S | * | * | cis | -155.3 | 116.1 | 17.4 | -60.5 | -83.2 | 133.8 | 0 | 0 | 107.9 | ||||
| 243 | E | 53.9 | Low | 51 | Low | 191 Ų | 191 | 140 Ų | 140 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -158.4 | 90.5 | 155.7 | 37 | -160.4 | 164.4 | 0 | 0 | 113 | S245 | E243-S245 PolarHBondContact O-N 3.14Š| ||
| 244 | E | 49.7 | Very low | 51.4 | Low | 183 Ų | 183 | 137.6 Ų | 137.6 | 86% | 0.855 | 77% | 0.772 | S | S | * | * | trans | -33.4 | 95.1 | 169.9 | -173.8 | 162.4 | -159.1 | 0 | 0 | 115 | T246 | E244-T246 PolarHBondContact O-N 3.17Š| ||
| 245 | S | 47.8 | Very low | 51.1 | Low | 116 Ų | 116 | 136.8 Ų | 136.8 | 81% | 0.811 | 78% | 0.779 | S | S | * | * | trans | -72.2 | 101.8 | 158.1 | -71.3 | 0 | 0 | 0 | 0 | 108.6 | E243 D247 | E243-S245 PolarHBondContact O-N 3.14Å; S245-D247 PolarHBondContact O-N 3.04Å | ||
| 246 | T | 49.2 | Very low | 50.7 | Low | 127 Ų | 127 | 136.7 Ų | 136.7 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | -72.3 | 75.7 | 175.7 | -166.9 | 0 | 0 | 0 | 0 | 111.5 | E244 G248 | E244-T246 PolarHBondContact O-N 3.17Å; T246-G248 PolarHBondContact O-N 3.09Å | ||
| 247 | D | 51.2 | Low | 50.3 | Low | 136 Ų | 136 | 133 Ų | 133 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | -72.9 | 104.8 | 152.1 | 168.8 | 7.2 | 0 | 0 | 0 | 107.5 | S245 S249 | S245-D247 PolarHBondContact O-N 3.04Å; D247-S249 PolarHBondContact OD1-N 2.98Å | ||
| 248 | G | 47 | Very low | 50.5 | Low | 64 Ų | 64 | 132.8 Ų | 132.8 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | -118.4 | 39.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | T246 L250 | T246-G248 PolarHBondContact O-N 3.09Å; G248-L250 VanDerWaalsContact C-N 3.31Å; G248-L250 PolarHBondContact O-N 3.43Å; G248-L250 VanDerWaalsContact O-N 3.1Å | ||
| 249 | S | 61.2 | Low | 50.5 | Low | 107 Ų | 107 | 136.6 Ų | 136.6 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -84.8 | 66.1 | 179.3 | -63.9 | 0 | 0 | 0 | 0 | 112.9 | D247 | D247-S249 PolarHBondContact OD1-N 2.98Š| ||
| 250 | L | 38.9 | Very low | 49.8 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 85% | 0.853 | 79% | 0.785 | S | S | * | * | trans | -130.7 | 123.9 | 160.3 | -76.8 | -179.5 | 0 | 0 | 0 | 112.7 | G248 | G248-L250 VanDerWaalsContact C-N 3.31Å; G248-L250 PolarHBondContact O-N 3.43Å; G248-L250 VanDerWaalsContact O-N 3.1Å | ||
| 251 | S | 47.9 | Very low | 49.5 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | -55.2 | 170.7 | 155.5 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 252 | E | 50.2 | Low | 48.7 | Very low | 188 Ų | 188 | 136.2 Ų | 136.2 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | 85.7 | 84.4 | 158.6 | -158.8 | 168.3 | 97.4 | 0 | 0 | 116.8 | ||||
| 253 | D | 43.8 | Very low | 47.9 | Very low | 164 Ų | 164 | 134.6 Ų | 134.6 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | -131.2 | 104.1 | 137.5 | -172.2 | 68.1 | 0 | 0 | 0 | 109.8 | ||||
| 254 | A | 53.6 | Low | 47.2 | Very low | 78 Ų | 78 | 128.6 Ų | 128.6 | 65% | 0.645 | 79% | 0.787 | S | S | * | * | trans | -153.1 | 124.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 255 | P | 52.7 | Low | 46.7 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 146 | -172.4 | 23.9 | -33.2 | 0 | 0 | 0 | 112.8 | ||
| 256 | P | 51.7 | Low | 46 | Very low | 123 Ų | 123 | 132.2 Ų | 132.2 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -70 | 162.1 | -169.8 | 26.2 | -34.9 | 0 | 0 | 0 | 115 | ||
| 257 | P | 50.1 | Low | 45.4 | Very low | 107 Ų | 107 | 130.2 Ų | 130.2 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 160.2 | -150.3 | 38 | -37.9 | 0 | 0 | 0 | 115.8 | ||
| 258 | P | 48.6 | Very low | 44.7 | Very low | 129 Ų | 129 | 134 Ų | 134 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 130.6 | 152.1 | 31.6 | -30.7 | 0 | 0 | 0 | 109.9 | ||
| 259 | R | 46.9 | Very low | 44.2 | Very low | 252 Ų | 252 | 136.3 Ų | 136.3 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -66 | 136.8 | -168.8 | -62.1 | 168.2 | 176 | 159.5 | -2.6 | 113.3 | ||
| 260 | G | 39.3 | Very low | 43.5 | Very low | 75 Ų | 75 | 136.2 Ų | 136.2 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -171.8 | 70.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 261 | L | 44.5 | Very low | 43.5 | Very low | 170 Ų | 170 | 139 Ų | 139 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | 23.2 | 110.1 | 156.2 | -66.1 | 166.4 | 0 | 0 | 0 | 121.4 | ||||
| 262 | A | 38.5 | Very low | 43.1 | Very low | 87 Ų | 87 | 141.5 Ų | 141.5 | 72% | 0.719 | 80% | 0.802 | S | S | * | * | 75.2 | 150.6 | 121.2 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 263 | V | 39.3 | Very low | 42.6 | Very low | 144 Ų | 144 | 137.4 Ų | 137.4 | 87% | 0.873 | 80% | 0.801 | S | S | * | * | trans | 77.6 | 103.1 | 161 | -163.7 | 0 | 0 | 0 | 0 | 119 | ||||
| 264 | G | 38.3 | Very low | 42.7 | Very low | 65 Ų | 65 | 137.5 Ų | 137.5 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | 76.2 | 149.2 | 119 | 0 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 265 | Q | 39.8 | Very low | 42.5 | Very low | 189 Ų | 189 | 139.8 Ų | 139.8 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | 72.9 | 121.5 | 169.7 | -49.8 | -174.6 | -88.3 | 0 | 0 | 117.8 | ||||
| 266 | H | 33.6 | Very low | 42.7 | Very low | 187 Ų | 187 | 139.6 Ų | 139.6 | 87% | 0.866 | 80% | 0.8 | S | S | * | * | trans | -121.6 | 107.6 | 145.1 | -88.3 | -78.6 | 0 | 0 | 0 | 109.6 | ||||
| 267 | A | 36.2 | Very low | 43.1 | Very low | 84 Ų | 84 | 138.9 Ų | 138.9 | 69% | 0.694 | 81% | 0.805 | S | S | * | * | trans | -75.9 | 133 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | S269 | A267-S269 PolarHBondContact O-N 2.89Š| ||
| 268 | F | 36.4 | Very low | 43.8 | Very low | 216 Ų | 216 | 140.4 Ų | 140.4 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | trans | -72.6 | 98.5 | 177 | -68.5 | -82.8 | 0 | 0 | 0 | 110.9 | ||||
| 269 | S | 36.8 | Very low | 44.3 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -97.3 | 104.4 | 164.6 | -92.6 | 0 | 0 | 0 | 0 | 110.7 | A267 | A267-S269 PolarHBondContact O-N 2.89Š| ||
| 270 | S | 46.6 | Very low | 45.3 | Very low | 106 Ų | 106 | 138.7 Ų | 138.7 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | 3.6 | 126.4 | 150.5 | -176.8 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 271 | R | 38 | Very low | 46.7 | Very low | 221 Ų | 221 | 140.6 Ų | 140.6 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | trans | -160.3 | 130.8 | 134.6 | -112.8 | 169.3 | -87.1 | -117.4 | 5.7 | 112.6 | ||||
| 272 | H | 40.2 | Very low | 48.2 | Very low | 158 Ų | 158 | 139.7 Ų | 139.7 | 73% | 0.731 | 80% | 0.803 | S | S | * | * | trans | 46.9 | 92.3 | 165.4 | -66 | -72.8 | 0 | 0 | 0 | 119.6 | ||||
| 273 | A | 41 | Very low | 49.5 | Very low | 102 Ų | 102 | 141.5 Ų | 141.5 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | trans | -76.2 | 118.8 | 152.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 274 | H | 44.2 | Very low | 51 | Low | 166 Ų | 166 | 140.9 Ų | 140.9 | 77% | 0.769 | 80% | 0.804 | S | S | * | * | trans | -75.5 | 130.6 | 165.5 | -62.8 | -86.6 | 0 | 0 | 0 | 108.8 | T276 | H274-T276 PolarHBondContact O-N 2.9Å; H274-T276 VanDerWaalsContact O-N 3.12Å | ||
| 275 | P | 49.3 | Very low | 52.5 | Low | 126 Ų | 126 | 143.4 Ų | 143.4 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | -69.8 | 111.4 | 173.2 | 28.3 | -31.8 | 0 | 0 | 0 | 108.6 | A277 | P275-A277 PolarHBondContact O-N 3.1Š| ||
| 276 | T | 57.9 | Low | 54.2 | Low | 112 Ų | 112 | 139.8 Ų | 139.8 | 69% | 0.687 | 80% | 0.802 | S | S | * | * | trans | -58.6 | 120.7 | 172.7 | 39.4 | 0 | 0 | 0 | 0 | 109.4 | H274 L278 | H274-T276 PolarHBondContact O-N 2.9Å; H274-T276 VanDerWaalsContact O-N 3.12Å; T276-L278 PolarHBondContact O-N 2.9Å | ||
| 277 | A | 59.3 | Low | 55.6 | Low | 108 Ų | 108 | 135.4 Ų | 135.4 | 89% | 0.893 | 79% | 0.79 | S | S | * | * | trans | -73.1 | 75.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P275 A279 | P275-A277 PolarHBondContact O-N 3.1Å; A277-A279 PolarHBondContact O-N 3.02Å | ||
| 278 | L | 64.4 | Low | 57.4 | Low | 140 Ų | 140 | 137.9 Ų | 137.9 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -72 | 123.7 | 175.7 | -64.6 | 174.3 | 0 | 0 | 0 | 109.6 | T276 R280 | T276-L278 PolarHBondContact O-N 2.9Å; L278-R280 PolarHBondContact O-N 2.86Å |
| 279 | A | 60.9 | Low | 59 | Low | 107 Ų | 107 | 138.7 Ų | 138.7 | 88% | 0.884 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 122.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | A277 | A277-A279 PolarHBondContact O-N 3.02Š|
| 280 | R | 67.1 | Low | 60.3 | Low | 237 Ų | 237 | 136.1 Ų | 136.1 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 116.6 | 176.9 | -53.2 | -174.7 | 87.3 | 172.1 | 6.5 | 108.1 | L278 | L278-R280 PolarHBondContact O-N 2.86Š|
| 281 | S | 68.9 | Low | 60.3 | Low | 116 Ų | 116 | 137.3 Ų | 137.3 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 138.5 | 177 | 47.2 | 0 | 0 | 0 | 0 | 111.2 | ||
| 282 | L | 75.6 | Confident | 61.4 | Low | 150 Ų | 150 | 136.1 Ų | 136.1 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 148.8 | 168.8 | -64.9 | 176.1 | 0 | 0 | 0 | 109.8 | V284 | L282-V284 PolarHBondContact O-N 3.17Š|
| 283 | P | 66.3 | Low | 61.6 | Low | 126 Ų | 126 | 133.9 Ų | 133.9 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 120.8 | 176.6 | 26.9 | -33.6 | 0 | 0 | 0 | 110.6 | ||
| 284 | V | 69.9 | Low | 61.7 | Low | 131 Ų | 131 | 134.4 Ų | 134.4 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -92.8 | 113.2 | 175.7 | 178.9 | 0 | 0 | 0 | 0 | 109 | L282 | L282-V284 PolarHBondContact O-N 3.17Š| ||
| 285 | S | 70.6 | Confident | 61.9 | Low | 117 Ų | 117 | 136.2 Ų | 136.2 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 117.8 | 169.6 | 47.8 | 0 | 0 | 0 | 0 | 110.3 | ||
| 286 | V | 75.4 | Confident | 61.5 | Low | 114 Ų | 114 | 134.6 Ų | 134.6 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 140 | 170.8 | -67.8 | 0 | 0 | 0 | 0 | 110.4 | V288 | V286-V288 PolarHBondContact O-N 3.23Š|
| 287 | P | 62.8 | Low | 60.8 | Low | 95 Ų | 95 | 133.4 Ų | 133.4 | 62% | 0.617 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 129.2 | 179.3 | 26.4 | -33.4 | 0 | 0 | 0 | 111.2 | W289 | P287-W289 PolarHBondContact O-N 2.85Š|
| 288 | V | 72.8 | Confident | 60.3 | Low | 135 Ų | 135 | 134.8 Ų | 134.8 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -87.2 | 106.4 | 178.2 | 179.8 | 0 | 0 | 0 | 0 | 109.7 | V286 G290 | V286-V288 PolarHBondContact O-N 3.23Å; V288-G290 VanDerWaalsContact C-N 3.3Å; V288-G290 PolarHBondContact O-N 2.74Å | ||
| 289 | W | 70.3 | Confident | 59.2 | Low | 233 Ų | 233 | 131.3 Ų | 131.3 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | trans | -76.6 | 78.6 | 174.2 | -59.9 | 104.1 | 0 | 0 | 0 | 111.1 | P287 C291 | P287-W289 PolarHBondContact O-N 2.85Å; W289-C291 PolarHBondContact O-N 3.11Å | ||
| 290 | G | 65.1 | Low | 58 | Low | 58 Ų | 58 | 133.8 Ų | 133.8 | 60% | 0.598 | 79% | 0.786 | S | S | * | * | trans | -74.1 | 109.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | V288 K292 | V288-G290 VanDerWaalsContact C-N 3.3Å; V288-G290 PolarHBondContact O-N 2.74Å; G290-K292 PolarHBondContact O-N 3.26Å | ||
| 291 | C | 47.3 | Very low | 57 | Low | 131 Ų | 131 | 128.4 Ų | 128.4 | 89% | 0.885 | 79% | 0.785 | S | S | * | * | trans | -70.7 | 92.9 | 165.3 | -171.8 | 0 | 0 | 0 | 0 | 109.7 | W289 S293 | W289-C291 PolarHBondContact O-N 3.11Å; C291-S293 PolarHBondContact O-N 3.01Å; C291-S293 VanDerWaalsContact O-N 3.09Å | ||
| 292 | K | 60.8 | Low | 55.9 | Low | 197 Ų | 197 | 129.9 Ų | 129.9 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | -73.8 | 95.5 | 178.5 | 50.8 | -174.5 | 174 | -175.2 | 0 | 111.2 | G290 S294 | G290-K292 PolarHBondContact O-N 3.26Å; K292-S294 PolarHBondContact O-N 3.42Å | ||
| 293 | S | 43.7 | Very low | 54.4 | Low | 110 Ų | 110 | 127.6 Ų | 127.6 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -63.9 | 114.7 | 166 | -174 | 0 | 0 | 0 | 0 | 109.3 | C291 R295 | C291-S293 PolarHBondContact O-N 3.01Å; C291-S293 VanDerWaalsContact O-N 3.09Å; S293-R295 PolarHBondContact O-N 3.4Å; S293-R295 VanDerWaalsContact O-N 3.12Å | ||
| 294 | S | 43.8 | Very low | 53.6 | Low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -66.9 | 108.6 | 178.8 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | K292 | K292-S294 PolarHBondContact O-N 3.42Š| ||
| 295 | R | 47.8 | Very low | 52.5 | Low | 204 Ų | 204 | 127.2 Ų | 127.2 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | trans | -87.5 | 105.5 | 160.2 | -81.7 | -164.5 | -92.4 | -160.3 | -0.8 | 107.9 | S293 | S293-R295 PolarHBondContact O-N 3.4Å; S293-R295 VanDerWaalsContact O-N 3.12Å | ||
| 296 | A | 40.2 | Very low | 51.3 | Low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 136.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 297 | A | 44 | Very low | 50.4 | Low | 86 Ų | 86 | 132 Ų | 132 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 151.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 298 | P | 49.5 | Very low | 50.1 | Low | 137 Ų | 137 | 131.2 Ų | 131.2 | 89% | 0.89 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 123.8 | 176.2 | 32 | -31.7 | 0 | 0 | 0 | 111.1 | ||
| 299 | G | 40.5 | Very low | 49.1 | Very low | 67 Ų | 67 | 129.2 Ų | 129.2 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | 133.6 | 128.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 300 | D | 34.7 | Very low | 49 | Very low | 160 Ų | 160 | 121.3 Ų | 121.3 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | cis | -136.5 | 156.7 | 4.5 | -105.2 | -48.7 | 0 | 0 | 0 | 112 | N302 | D300-N302 PolarHBondContact O-N 3.07Š| ||
| 301 | S | 47.3 | Very low | 49.9 | Very low | 124 Ų | 124 | 123 Ų | 123 | 87% | 0.867 | 78% | 0.776 | S | S | * | * | trans | -82.2 | 91.9 | -179.2 | -64.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 302 | N | 46 | Very low | 51.7 | Low | 146 Ų | 146 | 123.3 Ų | 123.3 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | -165.2 | 163.7 | 143.6 | 61.4 | 88.9 | 0 | 0 | 0 | 112 | D300 | D300-N302 PolarHBondContact O-N 3.07Š| ||
| 303 | S | 42.8 | Very low | 52.9 | Low | 103 Ų | 103 | 121.5 Ų | 121.5 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | 69.3 | 116 | -171.4 | -156.9 | 0 | 0 | 0 | 0 | 115.5 | E305 | S303-E305 VanDerWaalsContact C-N 3.35Å; S303-E305 PolarHBondContact O-N 3.39Å; S303-E305 VanDerWaalsContact O-N 3.13Å | ||
| 304 | G | 49.6 | Very low | 54.8 | Low | 93 Ų | 93 | 122.7 Ų | 122.7 | 96% | 0.959 | 76% | 0.755 | S | S | * | * | trans | -86.9 | 64.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 305 | E | 47.5 | Very low | 56.8 | Low | 156 Ų | 156 | 121 Ų | 121 | 73% | 0.729 | 74% | 0.736 | S | S | * | * | trans | -106.8 | 142.8 | 172.8 | -159.1 | 158.9 | 166.5 | 0 | 0 | 111.8 | S303 A307 | S303-E305 VanDerWaalsContact C-N 3.35Å; S303-E305 PolarHBondContact O-N 3.39Å; S303-E305 VanDerWaalsContact O-N 3.13Å; E305-A307 PolarHBondContact O-N 3.34Å | ||
| 306 | R | 46.3 | Very low | 58.7 | Low | 218 Ų | 218 | 113.1 Ų | 113.1 | 82% | 0.823 | 72% | 0.715 | S | S | * | * | trans | -69.3 | 116.6 | -167.9 | -63.7 | -102.5 | -165.7 | 165.5 | 5.7 | 110.2 | G308 C309 | R306-G308 PolarHBondContact O-N 3.12Å; R306-C309 PolarHBondContact O-N 3.42Å | ||
| 307 | A | 54.6 | Low | 60.8 | Low | 114 Ų | 114 | 111.4 Ų | 111.4 | 94% | 0.942 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | 104.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | E305 | E305-A307 PolarHBondContact O-N 3.34Š|
| 308 | G | 56.9 | Low | 62.7 | Low | 78 Ų | 78 | 110.5 Ų | 110.5 | 80% | 0.804 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150.5 | -26 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R306 A310 | R306-G308 PolarHBondContact O-N 3.12Å; G308-A310 PolarHBondContact O-N 3.21Å |
| 309 | C | 53 | Low | 64.4 | Low | 93 Ų | 93 | 109.4 Ų | 109.4 | 63% | 0.628 | 67% | 0.674 | S | S | * | * | trans | -74.4 | 125.5 | 169.4 | -67.4 | 0 | 0 | 0 | 0 | 109.7 | R306 | R306-C309 PolarHBondContact O-N 3.42Š| ||
| 310 | A | 68.1 | Low | 66.3 | Low | 66 Ų | 66 | 113 Ų | 113 | 55% | 0.545 | 67% | 0.67 | S | S | . | * | trans | -66.7 | 132.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | G308 L312 I315 | G308-A310 PolarHBondContact O-N 3.21Å; A310-L312 PolarHBondContact O-N 2.93Å; A310-I315 HydrophobicContact CB-CD1 3.89Å | ||
| 311 | D | 83.1 | Confident | 68.3 | Low | 94 Ų | 94 | 108.7 Ų | 108.7 | 50% | 0.503 | 66% | 0.657 | S | S | . | * | trans | -55.8 | 110.9 | -177.3 | 175.7 | -0.3 | 0 | 0 | 0 | 110.4 | E313 H314 I315 | D311-E313 PolarHBondContact O-N 3.25Å; D311-E313 WeakPolarHBondContact OD1-CA 3.46Å; D311-E313 WeakPolarHBondContact OD1-CB 3.39Å; D311-E313 PolarHBondContact OD1-N 3.16Å; D311-H314 HydrophobicContact CB-CB 3.77Å; D311-H314 WeakPolarHBondContact O-CB 3.44Å; D311-H314 PolarHBondContact O-N 3.2Å; D311-H314 PolarHBondContact OD1-N 3.45Å; D311-H314 WeakPolarHBondContact OD2-CB 3.19Å; D311-I315 WeakPolarHBondContact O-CG1 3.42Å; D311-I315 PolarHBondContact O-N 3Å | ||
| 312 | L | 85.8 | Confident | 69.6 | Low | 137 Ų | 137 | 109.8 Ų | 109.8 | 72% | 0.717 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.2 | -29.3 | -177.1 | -63.5 | 176.7 | 0 | 0 | 0 | 111.4 | A310 A316 | A310-L312 PolarHBondContact O-N 2.93Å; L312-A316 VanDerWaalsContact O-CB 3.25Å; L312-A316 WeakPolarHBondContact O-CB 3.46Å; L312-A316 PolarHBondContact O-N 2.84Å |
| 313 | E | 84.6 | Confident | 70.7 | Confident | 160 Ų | 160 | 109.4 Ų | 109.4 | 75% | 0.748 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.7 | -40.1 | 175.5 | -54.3 | -167.4 | -176.8 | 0 | 0 | 110.3 | D311 A316 A317 | D311-E313 PolarHBondContact O-N 3.25Å; D311-E313 WeakPolarHBondContact OD1-CA 3.46Å; D311-E313 WeakPolarHBondContact OD1-CB 3.39Å; D311-E313 PolarHBondContact OD1-N 3.16Å; E313-A316 PolarHBondContact O-N 3.31Å; E313-A317 VanDerWaalsContact O-CB 3.28Å; E313-A317 WeakPolarHBondContact O-CB 3.28Å; E313-A317 PolarHBondContact O-N 2.66Å |
| 314 | H | 84.9 | Confident | 71.9 | Confident | 134 Ų | 134 | 109 Ų | 109 | 62% | 0.62 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.8 | -42.9 | 173.9 | -161.7 | 86.9 | 0 | 0 | 0 | 112.5 | D311 A317 S318 | D311-H314 HydrophobicContact CB-CB 3.77Å; D311-H314 WeakPolarHBondContact O-CB 3.44Å; D311-H314 PolarHBondContact O-N 3.2Å; D311-H314 PolarHBondContact OD1-N 3.45Å; D311-H314 WeakPolarHBondContact OD2-CB 3.19Å; H314-A317 PolarHBondContact O-N 2.92Å; H314-S318 WeakPolarHBondContact O-CB 3.35Å; H314-S318 PolarHBondContact O-N 3.31Å |
| 315 | I | 86 | Confident | 72.2 | Confident | 78 Ų | 78 | 110.1 Ų | 110.1 | 40% | 0.4 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -62.4 | -47.4 | 174.3 | -64.8 | 170.6 | 0 | 0 | 0 | 110.1 | A310 D311 A317 S318 M319 | A310-I315 HydrophobicContact CB-CD1 3.89Å; D311-I315 WeakPolarHBondContact O-CG1 3.42Å; D311-I315 PolarHBondContact O-N 3Å; I315-A317 VanDerWaalsContact C-N 3.33Å; I315-A317 PolarHBondContact O-N 3.18Å; I315-S318 PolarHBondContact O-N 3.46Å; I315-M319 HydrophobicContact CG2-SD 4.31Å; I315-M319 WeakPolarHBondContact O-CG 3.4Å; I315-M319 PolarHBondContact O-N 3.3Å |
| 316 | A | 86.9 | Confident | 72.6 | Confident | 40 Ų | 40 | 106.4 Ų | 106.4 | 33% | 0.331 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -63.3 | -37.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L312 E313 K320 | L312-A316 VanDerWaalsContact O-CB 3.25Å; L312-A316 WeakPolarHBondContact O-CB 3.46Å; L312-A316 PolarHBondContact O-N 2.84Å; E313-A316 PolarHBondContact O-N 3.31Å; A316-K320 WeakPolarHBondContact O-CB 3.45Å; A316-K320 WeakPolarHBondContact O-CD 3.25Å; A316-K320 WeakPolarHBondContact O-CG 3.47Å; A316-K320 PolarHBondContact O-N 3.49Å |
| 317 | A | 84.3 | Confident | 73.2 | Confident | 55 Ų | 55 | 99.8 Ų | 99.8 | 46% | 0.455 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -66.5 | -42.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | E313 H314 I315 K320 A321 | E313-A317 VanDerWaalsContact O-CB 3.28Å; E313-A317 WeakPolarHBondContact O-CB 3.28Å; E313-A317 PolarHBondContact O-N 2.66Å; H314-A317 PolarHBondContact O-N 2.92Å; I315-A317 VanDerWaalsContact C-N 3.33Å; I315-A317 PolarHBondContact O-N 3.18Å; A317-K320 PolarHBondContact O-N 2.97Å; A317-A321 PolarHBondContact O-N 2.96Å |
| 318 | S | 83.9 | Confident | 73.2 | Confident | 67 Ų | 67 | 100.9 Ų | 100.9 | 47% | 0.469 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.9 | -45.5 | 175.9 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | H314 I315 K320 A321 L322 | H314-S318 WeakPolarHBondContact O-CB 3.35Å; H314-S318 PolarHBondContact O-N 3.31Å; I315-S318 PolarHBondContact O-N 3.46Å; S318-K320 VanDerWaalsContact C-N 3.35Å; S318-K320 PolarHBondContact O-N 3.4Å; S318-A321 WeakPolarHBondContact O-CB 3.48Å; S318-A321 PolarHBondContact O-N 3.13Å; S318-A321 VanDerWaalsContact O-N 3.16Å; S318-L322 PolarHBondContact O-N 3.1Å |
| 319 | M | 85.1 | Confident | 73 | Confident | 115 Ų | 115 | 103.7 Ų | 103.7 | 57% | 0.567 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -61.5 | -41.2 | 174.1 | -70.8 | -177.5 | 70.4 | 0 | 0 | 112.2 | I315 A321 L322 L323 | I315-M319 HydrophobicContact CG2-SD 4.31Å; I315-M319 WeakPolarHBondContact O-CG 3.4Å; I315-M319 PolarHBondContact O-N 3.3Å; M319-A321 VanDerWaalsContact C-N 3.32Å; M319-A321 PolarHBondContact O-N 3.06Å; M319-L322 PolarHBondContact O-N 2.84Å; M319-L323 WeakPolarHBondContact O-CG 3.21Å; M319-L323 PolarHBondContact O-N 3.25Å |
| 320 | K | 80.3 | Confident | 73.3 | Confident | 142 Ų | 142 | 103.2 Ų | 103.2 | 62% | 0.617 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -61.8 | -38.6 | 174 | -76.1 | 168.1 | -176.7 | 173.9 | 0 | 111.8 | A316 A317 S318 L322 L323 V324 | A316-K320 WeakPolarHBondContact O-CB 3.45Å; A316-K320 WeakPolarHBondContact O-CD 3.25Å; A316-K320 WeakPolarHBondContact O-CG 3.47Å; A316-K320 PolarHBondContact O-N 3.49Å; A317-K320 PolarHBondContact O-N 2.97Å; S318-K320 VanDerWaalsContact C-N 3.35Å; S318-K320 PolarHBondContact O-N 3.4Å; K320-L322 VanDerWaalsContact C-N 3.32Å; K320-L322 PolarHBondContact O-N 3Å; K320-L323 CarbonylContact O-C 3.57Å; K320-L323 PolarHBondContact O-N 2.98Å; K320-L323 VanDerWaalsContact O-N 3.1Å; K320-V324 WeakPolarHBondContact O-CG2 3.4Å; K320-V324 PolarHBondContact O-N 3.4Å |
| 321 | A | 77.7 | Confident | 72.7 | Confident | 69 Ų | 69 | 104.2 Ų | 104.2 | 57% | 0.57 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64.6 | -33.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | A317 S318 M319 L323 | A317-A321 PolarHBondContact O-N 2.96Å; S318-A321 WeakPolarHBondContact O-CB 3.48Å; S318-A321 PolarHBondContact O-N 3.13Å; S318-A321 VanDerWaalsContact O-N 3.16Å; M319-A321 VanDerWaalsContact C-N 3.32Å; M319-A321 PolarHBondContact O-N 3.06Å; A321-L323 VanDerWaalsContact C-N 3.34Å |
| 322 | L | 73.8 | Confident | 71.6 | Confident | 148 Ų | 148 | 108 Ų | 108 | 78% | 0.775 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73 | -25.6 | 172.4 | -63.1 | 174.2 | 0 | 0 | 0 | 113.2 | S318 M319 K320 | S318-L322 PolarHBondContact O-N 3.1Å; M319-L322 PolarHBondContact O-N 2.84Å; K320-L322 VanDerWaalsContact C-N 3.32Å; K320-L322 PolarHBondContact O-N 3Å |
| 323 | L | 70 | Confident | 70.5 | Confident | 137 Ų | 137 | 109.8 Ų | 109.8 | 72% | 0.717 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -87.9 | -21.7 | 178.4 | -71.9 | 164.4 | 0 | 0 | 0 | 113.2 | M319 K320 A321 P325 | M319-L323 WeakPolarHBondContact O-CG 3.21Å; M319-L323 PolarHBondContact O-N 3.25Å; K320-L323 CarbonylContact O-C 3.57Å; K320-L323 PolarHBondContact O-N 2.98Å; K320-L323 VanDerWaalsContact O-N 3.1Å; A321-L323 VanDerWaalsContact C-N 3.34Å; L323-P325 VanDerWaalsContact O-CD 3.29Å; L323-P325 WeakPolarHBondContact O-CD 3.33Å |
| 324 | V | 67 | Low | 69.3 | Low | 96 Ų | 96 | 111.8 Ų | 111.8 | 58% | 0.582 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -64.2 | 120.8 | 167.2 | 169.8 | 0 | 0 | 0 | 0 | 107.3 | K320 G326 | K320-V324 WeakPolarHBondContact O-CG2 3.4Å; K320-V324 PolarHBondContact O-N 3.4Å; V324-G326 PolarHBondContact O-N 2.93Å |
| 325 | P | 57.1 | Low | 68.3 | Low | 115 Ų | 115 | 108.9 Ų | 108.9 | 75% | 0.747 | 67% | 0.665 | S | S | * | * | trans | -62.5 | 107 | 174.2 | -20.9 | 33.9 | 0 | 0 | 0 | 108.8 | L323 A327 | L323-P325 VanDerWaalsContact O-CD 3.29Å; L323-P325 WeakPolarHBondContact O-CD 3.33Å; P325-A327 PolarHBondContact O-N 3.2Å | ||
| 326 | G | 56 | Low | 67.1 | Low | 79 Ų | 79 | 110.2 Ų | 110.2 | 81% | 0.814 | 69% | 0.688 | S | S | * | * | trans | -63.1 | 84.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | V324 | V324-G326 PolarHBondContact O-N 2.93Š| ||
| 327 | A | 57.5 | Low | 66 | Low | 78 Ų | 78 | 115.8 Ų | 115.8 | 65% | 0.645 | 71% | 0.711 | S | S | * | * | trans | -64.8 | 136.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | P325 | P325-A327 PolarHBondContact O-N 3.2Š| ||
| 328 | T | 54.8 | Low | 65.1 | Low | 138 Ų | 138 | 118.9 Ų | 118.9 | 85% | 0.847 | 73% | 0.726 | S | S | * | * | trans | 59.5 | 75.7 | 160.9 | 67.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 329 | D | 53 | Low | 64.3 | Low | 137 Ų | 137 | 126.3 Ų | 126.3 | 73% | 0.733 | 74% | 0.744 | S | S | * | * | -115.1 | 118.8 | 120.6 | -166.6 | -25.3 | 0 | 0 | 0 | 107.3 | T331 | D329-T331 PolarHBondContact O-N 3.2Å; D329-T331 PolarHBondContact OD1-OG1 3.38Å | |||
| 330 | G | 59.1 | Low | 63.3 | Low | 82 Ų | 82 | 127 Ų | 127 | 85% | 0.845 | 76% | 0.757 | S | S | * | * | trans | -78.1 | 24.8 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 331 | T | 55.1 | Low | 62.6 | Low | 87 Ų | 87 | 131.2 Ų | 131.2 | 53% | 0.534 | 77% | 0.769 | S | S | . | * | trans | -109 | 75 | -167.7 | -46.2 | 0 | 0 | 0 | 0 | 111.3 | D329 M333 | D329-T331 PolarHBondContact O-N 3.2Å; D329-T331 PolarHBondContact OD1-OG1 3.38Å; T331-M333 VanDerWaalsContact C-N 3.34Å; T331-M333 WeakPolarHBondContact O-CG 3.45Å; T331-M333 PolarHBondContact O-N 2.95Å | ||
| 332 | E | 61.7 | Low | 61.8 | Low | 174 Ų | 174 | 135.2 Ų | 135.2 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | trans | 32.3 | 44.2 | 143.3 | 63.7 | 175.4 | 173.6 | 0 | 0 | 120.5 | F334 | E332-F334 PolarHBondContact O-N 3.36Š| ||
| 333 | M | 62.4 | Low | 60.6 | Low | 174 Ų | 174 | 135.5 Ų | 135.5 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -79.2 | 71.8 | 174.5 | -69.3 | -106.9 | -74.8 | 0 | 0 | 112.2 | T331 | T331-M333 VanDerWaalsContact C-N 3.34Å; T331-M333 WeakPolarHBondContact O-CG 3.45Å; T331-M333 PolarHBondContact O-N 2.95Å | ||
| 334 | F | 59.5 | Low | 59.6 | Low | 202 Ų | 202 | 135.4 Ų | 135.4 | 89% | 0.886 | 79% | 0.788 | S | S | * | * | S | Bend | trans | 51.5 | 91.6 | 158.4 | -66.2 | -90.4 | 0 | 0 | 0 | 118.5 | E332 | E332-F334 PolarHBondContact O-N 3.36Š|
| 335 | G | 64.1 | Low | 59 | Low | 74 Ų | 74 | 133 Ų | 133 | 76% | 0.763 | 78% | 0.783 | S | S | * | * | S | Bend | trans | 172.5 | 104.4 | 161.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | L337 | G335-L337 PolarHBondContact O-N 2.81Š|
| 336 | A | 59.9 | Low | 59 | Low | 106 Ų | 106 | 135.1 Ų | 135.1 | 88% | 0.876 | 79% | 0.788 | S | S | * | * | trans | 61.2 | 37.9 | 155.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 337 | L | 64.3 | Low | 59 | Low | 157 Ų | 157 | 141.8 Ų | 141.8 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 133.2 | 151.4 | -71.1 | 179.3 | 0 | 0 | 0 | 109.6 | G335 R339 | G335-L337 PolarHBondContact O-N 2.81Å; L337-R339 PolarHBondContact O-N 2.88Å; L337-R339 VanDerWaalsContact O-N 3.15Å |
| 338 | P | 64.1 | Low | 58.7 | Low | 119 Ų | 119 | 142.6 Ų | 142.6 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 118.1 | 177.1 | -22.5 | 33.1 | 0 | 0 | 0 | 110.8 | ||
| 339 | R | 68.5 | Low | 58.7 | Low | 224 Ų | 224 | 143.9 Ų | 143.9 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 129.3 | 172.7 | -68.4 | -178.9 | -179.9 | 147.1 | 0.6 | 108.7 | L337 R341 | L337-R339 PolarHBondContact O-N 2.88Å; L337-R339 VanDerWaalsContact O-N 3.15Å; R339-R341 PolarHBondContact O-N 2.94Å |
| 340 | P | 63.6 | Low | 58.6 | Low | 129 Ų | 129 | 146.4 Ų | 146.4 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | trans | -54.6 | 115.2 | 172.4 | -24.8 | 34.1 | 0 | 0 | 0 | 109.2 | L342 | P340-L342 PolarHBondContact O-N 2.9Å; P340-L342 VanDerWaalsContact O-N 3.1Å | ||
| 341 | R | 66.1 | Low | 57.9 | Low | 230 Ų | 230 | 155.1 Ų | 155.1 | 87% | 0.868 | 82% | 0.819 | S | S | * | * | trans | -70.6 | 111.1 | 177.6 | -61.7 | -173.2 | 80.8 | 126.5 | 0.8 | 107 | R339 N343 | R339-R341 PolarHBondContact O-N 2.94Å; R341-N343 PolarHBondContact O-N 2.86Å | ||
| 342 | L | 60.2 | Low | 58.1 | Low | 153 Ų | 153 | 158.5 Ų | 158.5 | 80% | 0.801 | 83% | 0.833 | S | S | * | * | trans | -60 | 111.8 | 172.7 | -169.7 | 76.7 | 0 | 0 | 0 | 107.8 | P340 T344 | P340-L342 PolarHBondContact O-N 2.9Å; P340-L342 VanDerWaalsContact O-N 3.1Å; L342-T344 PolarHBondContact O-N 3.38Å | ||
| 343 | N | 49.1 | Very low | 57.9 | Low | 155 Ų | 155 | 157.7 Ų | 157.7 | 83% | 0.829 | 83% | 0.834 | S | S | * | * | trans | -71.8 | 91.1 | 176.8 | -76.4 | -41.4 | 0 | 0 | 0 | 109.5 | R341 G345 | R341-N343 PolarHBondContact O-N 2.86Å; N343-G345 PolarHBondContact O-N 3.21Å | ||
| 344 | T | 49.2 | Very low | 57.6 | Low | 134 Ų | 134 | 156.8 Ų | 156.8 | 82% | 0.822 | 83% | 0.833 | S | S | * | * | trans | -79.1 | 67.7 | 156.9 | 52.7 | 0 | 0 | 0 | 0 | 108.8 | L342 | L342-T344 PolarHBondContact O-N 3.38Š| ||
| 345 | G | 54.3 | Low | 57.5 | Low | 47 Ų | 47 | 154.1 Ų | 154.1 | 49% | 0.485 | 83% | 0.83 | S | S | . | * | trans | -89.3 | 144.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N343 | N343-G345 PolarHBondContact O-N 3.21Š| ||
| 346 | D | 56.8 | Low | 57.1 | Low | 158 Ų | 158 | 159.1 Ų | 159.1 | 85% | 0.845 | 83% | 0.834 | S | S | * | * | trans | 70 | 60.7 | 146.1 | -45.4 | -26.1 | 0 | 0 | 0 | 119.1 | S348 | D346-S348 PolarHBondContact O-N 3.13Š| ||
| 347 | F | 55.7 | Low | 56.9 | Low | 219 Ų | 219 | 162.7 Ų | 162.7 | 96% | 0.961 | 83% | 0.831 | S | S | * | * | trans | -75.2 | 84.1 | 143.5 | -73.8 | -67.9 | 0 | 0 | 0 | 109.5 | ||||
| 348 | S | 50.9 | Low | 56.4 | Low | 96 Ų | 96 | 163.1 Ų | 163.1 | 67% | 0.671 | 83% | 0.832 | S | S | * | * | trans | -60.4 | 137.2 | 175.4 | -167.6 | 0 | 0 | 0 | 0 | 111.4 | D346 K350 | D346-S348 PolarHBondContact O-N 3.13Å; S348-K350 PolarHBondContact O-N 3.21Å | ||
| 349 | L | 54.4 | Low | 55.8 | Low | 164 Ų | 164 | 166.5 Ų | 166.5 | 86% | 0.859 | 84% | 0.837 | S | S | * | * | trans | -52.5 | 128.2 | 165 | -86.9 | 79 | 0 | 0 | 0 | 110 | ||||
| 350 | K | 52.4 | Low | 54.8 | Low | 190 Ų | 190 | 161.7 Ų | 161.7 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | trans | -161 | 115.9 | 153.5 | -111.4 | 148.6 | -173 | 173.7 | 0 | 113.2 | S348 | S348-K350 PolarHBondContact O-N 3.21Š| ||
| 351 | H | 44.6 | Very low | 54 | Low | 265 Ų | 265 | 164.6 Ų | 164.6 | 100% | 1.227 | 84% | 0.836 | S | S | * | * | trans | 64.2 | 0 | 160.5 | -101.2 | -71.2 | 0 | 0 | 0 | 119.3 |
Retrieved 351 of 351 residues in 337.8 ms
(Link to these results)