| 1 | M | 56.6 | Low | 69.9 | Low | 233 Ų | 233 | 121 Ų | 121 | 100% | 1.148 | 65% | 0.651 | S | S | * | * | | | | 0 | 63.6 | 0 | -65.3 | -177.9 | -78 | 0 | 0 | 109.5 | | |
| 2 | I | 66.3 | Low | 71.3 | Confident | 132 Ų | 132 | 125.8 Ų | 125.8 | 68% | 0.677 | 65% | 0.653 | S | S | * | * | | | trans | -132.3 | -26.9 | -173.6 | -60.6 | 178.9 | 0 | 0 | 0 | 111.7 | A4 A5 | I2-A4 PolarHBondContact O-N 3.07Å; I2-A5 PolarHBondContact O-N 3.17Å |
| 3 | N | 62.3 | Low | 72.6 | Confident | 129 Ų | 129 | 119.2 Ų | 119.2 | 69% | 0.69 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -1.7 | -174.5 | -43.4 | 62 | 0 | 0 | 0 | 117.1 | E6 | N3-E6 WeakPolarHBondContact CA-OE1 3.29Š|
| 4 | A | 64.6 | Low | 73.9 | Confident | 90 Ų | 90 | 114.1 Ų | 114.1 | 74% | 0.744 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -24.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I2 | I2-A4 PolarHBondContact O-N 3.07Š|
| 5 | A | 63.4 | Low | 75 | Confident | 33 Ų | 33 | 115.3 Ų | 115.3 | 27% | 0.273 | 60% | 0.599 | S | S | . | * | S | Bend | trans | -81.5 | -26.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I2 L11 | I2-A5 PolarHBondContact O-N 3.17Å; A5-L11 HydrophobicContact CB-CD2 4.07Å |
| 6 | E | 63.4 | Low | 76 | Confident | 139 Ų | 139 | 113.8 Ų | 113.8 | 65% | 0.65 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -29.6 | -166.4 | -63.7 | 166.4 | -114.6 | 0 | 0 | 112.8 | N3 K8 | N3-E6 WeakPolarHBondContact CA-OE1 3.29Å; E6-K8 PolarHBondContact O-N 2.87Å; E6-K8 VanDerWaalsContact O-N 3.15Å |
| 7 | A | 69.2 | Low | 77 | Confident | 79 Ų | 79 | 113.4 Ų | 113.4 | 65% | 0.653 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 8 | K | 76.1 | Confident | 77.8 | Confident | 133 Ų | 133 | 112.3 Ų | 112.3 | 58% | 0.578 | 59% | 0.587 | S | S | * | * | | | trans | -146.1 | 94.2 | -176.1 | -69.7 | -173.9 | 175.6 | 58.7 | 0 | 112.4 | E6 W10 L11 | E6-K8 PolarHBondContact O-N 2.87Å; E6-K8 VanDerWaalsContact O-N 3.15Å; K8-W10 PolarHBondContact O-N 3.2Å; K8-W10 VanDerWaalsContact O-N 3.16Å; K8-L11 HydrophobicContact CB-CB 4.21Å; K8-L11 VanDerWaalsContact O-CB 3.22Å; K8-L11 WeakPolarHBondContact O-CB 3.22Å; K8-L11 PolarHBondContact O-N 2.88Å |
| 9 | P | 76.9 | Confident | 78.6 | Confident | 113 Ų | 113 | 112.7 Ų | 112.7 | 73% | 0.734 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.7 | -25.3 | 177.7 | 24.1 | -33.8 | 0 | 0 | 0 | 113.5 | L11 W12 | P9-L11 PolarHBondContact O-N 2.74Å; P9-W12 WeakPolarHBondContact O-CB 3.25Å; P9-W12 PolarHBondContact O-N 2.97Å |
| 10 | W | 86.9 | Confident | 79.3 | Confident | 200 Ų | 200 | 112.5 Ų | 112.5 | 76% | 0.758 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63 | -25.3 | 172.8 | -173.3 | 53.8 | 0 | 0 | 0 | 113.4 | K8 W12 A13 V14 | K8-W10 PolarHBondContact O-N 3.2Å; K8-W10 VanDerWaalsContact O-N 3.16Å; W10-W12 VanDerWaalsContact C-N 3.3Å; W10-W12 PolarHBondContact O-N 2.96Å; W10-A13 WeakPolarHBondContact O-CB 3.35Å; W10-A13 PolarHBondContact O-N 3.35Å; W10-A13 VanDerWaalsContact O-N 3.13Å; W10-V14 HydrophobicContact CD2-CG2 4.18Å; W10-V14 HydrophobicContact CH2-CG2 4.49Å; W10-V14 HydrophobicContact CZ2-CG2 4.11Å; W10-V14 PolarHBondContact O-N 2.87Å |
| 11 | L | 83.8 | Confident | 79.9 | Confident | 50 Ų | 50 | 112.2 Ų | 112.2 | 26% | 0.262 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65 | -35.6 | 178 | -166.7 | 69.9 | 0 | 0 | 0 | 111.5 | A5 K8 P9 V14 Y15 | A5-L11 HydrophobicContact CB-CD2 4.07Å; K8-L11 HydrophobicContact CB-CB 4.21Å; K8-L11 VanDerWaalsContact O-CB 3.22Å; K8-L11 WeakPolarHBondContact O-CB 3.22Å; K8-L11 PolarHBondContact O-N 2.88Å; P9-L11 PolarHBondContact O-N 2.74Å; L11-V14 PolarHBondContact O-N 3.42Å; L11-Y15 HydrophobicContact CD1-CE2 4.42Å; L11-Y15 HydrophobicContact CD2-CE2 3.74Å; L11-Y15 HydrophobicContact CG-CD2 4.16Å; L11-Y15 HydrophobicContact CG-CE2 3.56Å; L11-Y15 VanDerWaalsContact O-CD2 3.23Å; L11-Y15 WeakPolarHBondContact O-CD2 3.46Å; L11-Y15 PolarHBondContact O-N 3.29Å |
| 12 | W | 86.2 | Confident | 81.7 | Confident | 178 Ų | 178 | 104 Ų | 104 | 67% | 0.674 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.4 | -42.5 | 170.8 | -84.6 | 88.6 | 0 | 0 | 0 | 112.1 | P9 W10 V14 Y15 I16 | P9-W12 WeakPolarHBondContact O-CB 3.25Å; P9-W12 PolarHBondContact O-N 2.97Å; W10-W12 VanDerWaalsContact C-N 3.3Å; W10-W12 PolarHBondContact O-N 2.96Å; W12-V14 VanDerWaalsContact C-N 3.32Å; W12-V14 PolarHBondContact O-N 2.9Å; W12-Y15 PolarHBondContact O-N 3.5Å; W12-I16 WeakPolarHBondContact O-CB 3.44Å; W12-I16 VanDerWaalsContact O-CG1 3.25Å; W12-I16 WeakPolarHBondContact O-CG1 3.17Å; W12-I16 PolarHBondContact O-N 2.88Å |
| 13 | A | 88.5 | Confident | 82.9 | Confident | 41 Ų | 41 | 101 Ų | 101 | 34% | 0.339 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61.9 | -40.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | W10 I16 I17 | W10-A13 WeakPolarHBondContact O-CB 3.35Å; W10-A13 PolarHBondContact O-N 3.35Å; W10-A13 VanDerWaalsContact O-N 3.13Å; A13-I16 PolarHBondContact O-N 3.36Å; A13-I17 WeakPolarHBondContact O-CD1 3.45Å; A13-I17 VanDerWaalsContact O-CG1 3.25Å; A13-I17 WeakPolarHBondContact O-CG1 3.36Å; A13-I17 PolarHBondContact O-N 3.48Å |
| 14 | V | 90.9 | Very high | 84.2 | Confident | 48 Ų | 48 | 96.5 Ų | 96.5 | 29% | 0.291 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -44.9 | 173.9 | 175.6 | 0 | 0 | 0 | 0 | 111.4 | W10 L11 W12 I16 I17 V18 | W10-V14 HydrophobicContact CD2-CG2 4.18Å; W10-V14 HydrophobicContact CH2-CG2 4.49Å; W10-V14 HydrophobicContact CZ2-CG2 4.11Å; W10-V14 PolarHBondContact O-N 2.87Å; L11-V14 PolarHBondContact O-N 3.42Å; W12-V14 VanDerWaalsContact C-N 3.32Å; W12-V14 PolarHBondContact O-N 2.9Å; V14-I16 PolarHBondContact O-N 2.96Å; V14-I17 PolarHBondContact O-N 2.85Å; V14-V18 HydrophobicContact CG1-CG2 4.23Å; V14-V18 WeakPolarHBondContact O-CB 3.21Å; V14-V18 VanDerWaalsContact O-CG2 3.27Å; V14-V18 WeakPolarHBondContact O-CG2 3.39Å; V14-V18 PolarHBondContact O-N 2.76Å |
| 15 | Y | 89.7 | Confident | 85.5 | Confident | 132 Ų | 132 | 96.2 Ų | 96.2 | 52% | 0.518 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62 | -42.2 | 175.8 | -69.5 | -44.7 | 0 | 0 | 0 | 112.5 | L11 W12 V18 L19 | L11-Y15 HydrophobicContact CD1-CE2 4.42Å; L11-Y15 HydrophobicContact CD2-CE2 3.74Å; L11-Y15 HydrophobicContact CG-CD2 4.16Å; L11-Y15 HydrophobicContact CG-CE2 3.56Å; L11-Y15 VanDerWaalsContact O-CD2 3.23Å; L11-Y15 WeakPolarHBondContact O-CD2 3.46Å; L11-Y15 PolarHBondContact O-N 3.29Å; W12-Y15 PolarHBondContact O-N 3.5Å; Y15-V18 PolarHBondContact O-N 3.34Å; Y15-L19 VanDerWaalsContact O-CB 3.27Å; Y15-L19 WeakPolarHBondContact O-CB 3.16Å; Y15-L19 PolarHBondContact O-N 2.91Å |
| 16 | I | 91.8 | Very high | 86.7 | Confident | 90 Ų | 90 | 100.2 Ų | 100.2 | 46% | 0.462 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.1 | -45.5 | 175.7 | -70.7 | 164.2 | 0 | 0 | 0 | 110.3 | W12 A13 V14 L19 L20 | W12-I16 WeakPolarHBondContact O-CB 3.44Å; W12-I16 VanDerWaalsContact O-CG1 3.25Å; W12-I16 WeakPolarHBondContact O-CG1 3.17Å; W12-I16 PolarHBondContact O-N 2.88Å; A13-I16 PolarHBondContact O-N 3.36Å; V14-I16 PolarHBondContact O-N 2.96Å; I16-L19 PolarHBondContact O-N 3.34Å; I16-L20 HydrophobicContact CG2-CD1 3.58Å; I16-L20 HydrophobicContact CG2-CG 4.13Å; I16-L20 VanDerWaalsContact O-CB 3.23Å; I16-L20 WeakPolarHBondContact O-CB 3.23Å; I16-L20 VanDerWaalsContact O-CG 3.26Å; I16-L20 WeakPolarHBondContact O-CG 3.39Å; I16-L20 PolarHBondContact O-N 2.96Å |
| 17 | I | 92.3 | Very high | 87.9 | Confident | 108 Ų | 108 | 97.8 Ų | 97.8 | 55% | 0.554 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.9 | -46.4 | 176.4 | -68.6 | 163.1 | 0 | 0 | 0 | 111.1 | A13 V14 L19 L20 L21 | A13-I17 WeakPolarHBondContact O-CD1 3.45Å; A13-I17 VanDerWaalsContact O-CG1 3.25Å; A13-I17 WeakPolarHBondContact O-CG1 3.36Å; A13-I17 PolarHBondContact O-N 3.48Å; V14-I17 PolarHBondContact O-N 2.85Å; I17-L19 VanDerWaalsContact C-N 3.26Å; I17-L19 PolarHBondContact O-N 2.92Å; I17-L20 PolarHBondContact O-N 2.88Å; I17-L21 WeakPolarHBondContact O-CB 3.19Å; I17-L21 PolarHBondContact O-N 3.34Å |
| 18 | V | 92 | Very high | 88.7 | Confident | 94 Ų | 94 | 101.4 Ų | 101.4 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.6 | -24.1 | -178.7 | 170.4 | 0 | 0 | 0 | 0 | 112.7 | V14 Y15 P22 | V14-V18 HydrophobicContact CG1-CG2 4.23Å; V14-V18 WeakPolarHBondContact O-CB 3.21Å; V14-V18 VanDerWaalsContact O-CG2 3.27Å; V14-V18 WeakPolarHBondContact O-CG2 3.39Å; V14-V18 PolarHBondContact O-N 2.76Å; Y15-V18 PolarHBondContact O-N 3.34Å; V18-P22 WeakPolarHBondContact O-CD 3.19Å; V18-P22 WeakPolarHBondContact O-CG 3.43Å |
| 19 | L | 92.8 | Very high | 89.1 | Confident | 119 Ų | 119 | 104.1 Ų | 104.1 | 62% | 0.623 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -91.5 | -38.8 | 176.5 | -165.1 | 149.5 | 0 | 0 | 0 | 112.3 | Y15 I16 I17 P22 V23 | Y15-L19 VanDerWaalsContact O-CB 3.27Å; Y15-L19 WeakPolarHBondContact O-CB 3.16Å; Y15-L19 PolarHBondContact O-N 2.91Å; I16-L19 PolarHBondContact O-N 3.34Å; I17-L19 VanDerWaalsContact C-N 3.26Å; I17-L19 PolarHBondContact O-N 2.92Å; L19-P22 WeakPolarHBondContact O-CD 3.46Å; L19-P22 WeakPolarHBondContact O-CG 3.28Å; L19-V23 VanDerWaalsContact O-CG2 3.28Å; L19-V23 WeakPolarHBondContact O-CG2 3.33Å |
| 20 | L | 92.7 | Very high | 89.3 | Confident | 108 Ų | 108 | 102.2 Ų | 102.2 | 57% | 0.565 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.9 | -30.5 | 175.3 | -71.1 | -179.9 | 0 | 0 | 0 | 113.2 | I16 I17 G24 | I16-L20 HydrophobicContact CG2-CD1 3.58Å; I16-L20 HydrophobicContact CG2-CG 4.13Å; I16-L20 VanDerWaalsContact O-CB 3.23Å; I16-L20 WeakPolarHBondContact O-CB 3.23Å; I16-L20 VanDerWaalsContact O-CG 3.26Å; I16-L20 WeakPolarHBondContact O-CG 3.39Å; I16-L20 PolarHBondContact O-N 2.96Å; I17-L20 PolarHBondContact O-N 2.88Å; L20-G24 WeakPolarHBondContact O-CA 3.42Å; L20-G24 PolarHBondContact O-N 3.49Å |
| 21 | L | 92.3 | Very high | 88.6 | Confident | 107 Ų | 107 | 99.4 Ų | 99.4 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.7 | -55.7 | 179 | -176.1 | 67.8 | 0 | 0 | 0 | 112.8 | I17 I25 | I17-L21 WeakPolarHBondContact O-CB 3.19Å; I17-L21 PolarHBondContact O-N 3.34Å; L21-I25 HydrophobicContact CD1-CD1 3.84Å; L21-I25 HydrophobicContact CD1-CG1 4.45Å; L21-I25 HydrophobicContact CG-CD1 3.93Å; L21-I25 WeakPolarHBondContact O-CB 3.47Å; L21-I25 WeakPolarHBondContact O-CD1 3.25Å; L21-I25 WeakPolarHBondContact O-CG1 3.43Å; L21-I25 PolarHBondContact O-N 3.49Å |
| 22 | P | 93 | Very high | 87.7 | Confident | 61 Ų | 61 | 99.1 Ų | 99.1 | 40% | 0.396 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66 | -43.1 | 178 | 26.1 | -34.1 | 0 | 0 | 0 | 112 | V18 L19 G24 I25 I26 | V18-P22 WeakPolarHBondContact O-CD 3.19Å; V18-P22 WeakPolarHBondContact O-CG 3.43Å; L19-P22 WeakPolarHBondContact O-CD 3.46Å; L19-P22 WeakPolarHBondContact O-CG 3.28Å; P22-G24 PolarHBondContact O-N 2.87Å; P22-I25 PolarHBondContact O-N 3.33Å; P22-I26 WeakPolarHBondContact O-CB 3.42Å; P22-I26 WeakPolarHBondContact O-CD1 3.23Å; P22-I26 WeakPolarHBondContact O-CG1 3.26Å; P22-I26 PolarHBondContact O-N 3.43Å |
| 23 | V | 91.7 | Very high | 86.5 | Confident | 69 Ų | 69 | 94.8 Ų | 94.8 | 42% | 0.418 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62 | -46 | 179 | 174.2 | 0 | 0 | 0 | 0 | 110.8 | L19 I26 L27 | L19-V23 VanDerWaalsContact O-CG2 3.28Å; L19-V23 WeakPolarHBondContact O-CG2 3.33Å; V23-I26 PolarHBondContact O-N 2.86Å; V23-L27 HydrophobicContact CG1-CD1 3.87Å; V23-L27 HydrophobicContact CG1-CG 4.42Å; V23-L27 WeakPolarHBondContact O-CB 3.25Å; V23-L27 VanDerWaalsContact O-CG 3.23Å; V23-L27 WeakPolarHBondContact O-CG 2.94Å; V23-L27 PolarHBondContact O-N 3.3Å |
| 24 | G | 90.5 | Very high | 85.2 | Confident | 35 Ų | 35 | 96.3 Ų | 96.3 | 36% | 0.361 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -40.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | L20 P22 F28 | L20-G24 WeakPolarHBondContact O-CA 3.42Å; L20-G24 PolarHBondContact O-N 3.49Å; P22-G24 PolarHBondContact O-N 2.87Å; G24-F28 WeakPolarHBondContact O-CB 3.44Å; G24-F28 PolarHBondContact O-N 3.45Å |
| 25 | I | 90.6 | Very high | 83.6 | Confident | 84 Ų | 84 | 102.9 Ų | 102.9 | 43% | 0.431 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.5 | -45.7 | 174 | -71.2 | 166.5 | 0 | 0 | 0 | 110.9 | L21 P22 L27 F28 W29 | L21-I25 HydrophobicContact CD1-CD1 3.84Å; L21-I25 HydrophobicContact CD1-CG1 4.45Å; L21-I25 HydrophobicContact CG-CD1 3.93Å; L21-I25 WeakPolarHBondContact O-CB 3.47Å; L21-I25 WeakPolarHBondContact O-CD1 3.25Å; L21-I25 WeakPolarHBondContact O-CG1 3.43Å; L21-I25 PolarHBondContact O-N 3.49Å; P22-I25 PolarHBondContact O-N 3.33Å; I25-L27 PolarHBondContact O-N 3.31Å; I25-F28 PolarHBondContact O-N 2.95Å; I25-W29 PolarHBondContact O-N 3.49Å |
| 26 | I | 89.2 | Confident | 82.1 | Confident | 116 Ų | 116 | 105 Ų | 105 | 60% | 0.595 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.7 | -47.1 | 178.5 | -70.1 | 162.6 | 0 | 0 | 0 | 110.5 | P22 V23 C30 | P22-I26 WeakPolarHBondContact O-CB 3.42Å; P22-I26 WeakPolarHBondContact O-CD1 3.23Å; P22-I26 WeakPolarHBondContact O-CG1 3.26Å; P22-I26 PolarHBondContact O-N 3.43Å; V23-I26 PolarHBondContact O-N 2.86Å; I26-C30 WeakPolarHBondContact O-CB 3.27Å; I26-C30 PolarHBondContact O-N 3.39Å |
| 27 | L | 88.3 | Confident | 80.3 | Confident | 88 Ų | 88 | 103.7 Ų | 103.7 | 46% | 0.461 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -61.7 | -46.7 | 175.5 | -68.5 | 169.8 | 0 | 0 | 0 | 111.3 | V23 I25 W29 C30 F31 | V23-L27 HydrophobicContact CG1-CD1 3.87Å; V23-L27 HydrophobicContact CG1-CG 4.42Å; V23-L27 WeakPolarHBondContact O-CB 3.25Å; V23-L27 VanDerWaalsContact O-CG 3.23Å; V23-L27 WeakPolarHBondContact O-CG 2.94Å; V23-L27 PolarHBondContact O-N 3.3Å; I25-L27 PolarHBondContact O-N 3.31Å; L27-W29 PolarHBondContact O-N 2.99Å; L27-C30 PolarHBondContact O-N 2.92Å; L27-F31 HydrophobicContact CB-CD2 4.43Å; L27-F31 HydrophobicContact CD2-CD2 4.18Å; L27-F31 HydrophobicContact CD2-CE2 3.74Å; L27-F31 WeakPolarHBondContact O-CB 3.39Å; L27-F31 WeakPolarHBondContact O-CD2 3.23Å; L27-F31 PolarHBondContact O-N 3.28Å |
| 28 | F | 86.8 | Confident | 78.6 | Confident | 156 Ų | 156 | 104.3 Ų | 104.3 | 68% | 0.684 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -63.4 | -41.3 | -179.1 | -177.6 | -102.3 | 0 | 0 | 0 | 112.7 | G24 I25 G32 | G24-F28 WeakPolarHBondContact O-CB 3.44Å; G24-F28 PolarHBondContact O-N 3.45Å; I25-F28 PolarHBondContact O-N 2.95Å; F28-G32 WeakPolarHBondContact O-CA 3.5Å; F28-G32 PolarHBondContact O-N 2.94Å |
| 29 | W | 84.9 | Confident | 76.8 | Confident | 189 Ų | 189 | 111.3 Ų | 111.3 | 72% | 0.716 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.3 | -41.2 | 174.6 | -90.3 | 10.1 | 0 | 0 | 0 | 112.9 | I25 L27 T33 | I25-W29 PolarHBondContact O-N 3.49Å; L27-W29 PolarHBondContact O-N 2.99Å; W29-T33 WeakPolarHBondContact O-CB 3.27Å; W29-T33 VanDerWaalsContact O-CG2 3.25Å; W29-T33 WeakPolarHBondContact O-CG2 3.22Å; W29-T33 PolarHBondContact O-N 3.42Å; W29-T33 PolarHBondContact O-OG1 2.82Å |
| 30 | C | 79.7 | Confident | 74.9 | Confident | 73 Ų | 73 | 113 Ų | 113 | 49% | 0.493 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -66.1 | -50.9 | 179.7 | -171.4 | 0 | 0 | 0 | 0 | 112.2 | I26 L27 T33 S34 | I26-C30 WeakPolarHBondContact O-CB 3.27Å; I26-C30 PolarHBondContact O-N 3.39Å; L27-C30 PolarHBondContact O-N 2.92Å; C30-T33 PolarHBondContact O-OG1 3.13Å; C30-S34 PolarHBondContact O-OG 2.9Å |
| 31 | F | 72.8 | Confident | 73 | Confident | 141 Ų | 141 | 114.3 Ų | 114.3 | 62% | 0.618 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -82.4 | -23.2 | -178.5 | -69.9 | -74.2 | 0 | 0 | 0 | 113.8 | L27 | L27-F31 HydrophobicContact CB-CD2 4.43Å; L27-F31 HydrophobicContact CD2-CD2 4.18Å; L27-F31 HydrophobicContact CD2-CE2 3.74Å; L27-F31 WeakPolarHBondContact O-CB 3.39Å; L27-F31 WeakPolarHBondContact O-CD2 3.23Å; L27-F31 PolarHBondContact O-N 3.28Å |
| 32 | G | 65.6 | Low | 71.2 | Confident | 44 Ų | 44 | 118.7 Ų | 118.7 | 45% | 0.454 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -80.1 | -25.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | F28 | F28-G32 WeakPolarHBondContact O-CA 3.5Å; F28-G32 PolarHBondContact O-N 2.94Å |
| 33 | T | 61.5 | Low | 69.2 | Low | 87 Ų | 87 | 125 Ų | 125 | 53% | 0.534 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -86.5 | -35.9 | -179.6 | 51.9 | 0 | 0 | 0 | 0 | 113.1 | W29 C30 K35 | W29-T33 WeakPolarHBondContact O-CB 3.27Å; W29-T33 VanDerWaalsContact O-CG2 3.25Å; W29-T33 WeakPolarHBondContact O-CG2 3.22Å; W29-T33 PolarHBondContact O-N 3.42Å; W29-T33 PolarHBondContact O-OG1 2.82Å; C30-T33 PolarHBondContact O-OG1 3.13Å; T33-K35 PolarHBondContact O-N 3.27Å |
| 34 | S | 59.4 | Low | 67.5 | Low | 73 Ų | 73 | 128 Ų | 128 | 51% | 0.51 | 64% | 0.64 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -70.7 | 4.9 | -164.5 | -59.8 | 0 | 0 | 0 | 0 | 117.2 | C30 | C30-S34 PolarHBondContact O-OG 2.9Š|
| 35 | K | 57.9 | Low | 65.5 | Low | 186 Ų | 186 | 135.3 Ų | 135.3 | 81% | 0.809 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | 2.5 | -174.9 | -60.7 | -171 | -177.8 | -177.6 | 0 | 115.2 | T33 | T33-K35 PolarHBondContact O-N 3.27Š|
| 36 | K | 57.4 | Low | 63.5 | Low | 176 Ų | 176 | 140.5 Ų | 140.5 | 77% | 0.765 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -110.1 | -25.4 | -165.3 | -59.3 | -175.3 | -176.7 | -178.8 | 0 | 116 | | |
| 37 | S | 54.9 | Low | 61.6 | Low | 63 Ų | 63 | 141.1 Ų | 141.1 | 44% | 0.441 | 70% | 0.699 | S | S | . | * | S | Bend | trans | -100.1 | -28.5 | -167.9 | 48.6 | 0 | 0 | 0 | 0 | 115.5 | R39 E40 | S37-R39 PolarHBondContact O-N 3.16Å; S37-E40 PolarHBondContact O-N 3.26Å; S37-E40 VanDerWaalsContact O-N 3.17Å |
| 38 | V | 57.2 | Low | 59.6 | Low | 122 Ų | 122 | 144.1 Ų | 144.1 | 74% | 0.739 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -9.3 | -167.3 | -172.7 | 0 | 0 | 0 | 0 | 114.4 | | |
| 39 | R | 52.9 | Low | 58 | Low | 241 Ų | 241 | 146.2 Ų | 146.2 | 91% | 0.909 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -8.6 | 177.9 | -67.6 | -168.6 | -179.6 | -159.8 | -0.1 | 115.2 | S37 | S37-R39 PolarHBondContact O-N 3.16Š|
| 40 | E | 53.2 | Low | 56.4 | Low | 155 Ų | 155 | 144.9 Ų | 144.9 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.7 | -18.3 | -173 | -66.1 | 179.8 | 177.5 | 0 | 0 | 113.3 | S37 K42 | S37-E40 PolarHBondContact O-N 3.26Å; S37-E40 VanDerWaalsContact O-N 3.17Å; E40-K42 PolarHBondContact O-N 3.15Å |
| 41 | I | 54.3 | Low | 54.7 | Low | 135 Ų | 135 | 144.9 Ų | 144.9 | 69% | 0.692 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -79.6 | 57 | 176.9 | -44.5 | 162.7 | 0 | 0 | 0 | 110.9 | | |
| 42 | K | 53 | Low | 53.1 | Low | 199 Ų | 199 | 147.5 Ų | 147.5 | 87% | 0.865 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -156.2 | 31.2 | 173.1 | -142 | 179 | -175.9 | -174.6 | 0 | 114 | E40 | E40-K42 PolarHBondContact O-N 3.15Š|
| 43 | K | 52.5 | Low | 52.1 | Low | 194 Ų | 194 | 150.8 Ų | 150.8 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | | | trans | -153.1 | 59.9 | -175.2 | -64.3 | -171.7 | 177.9 | -175.1 | 0 | 112.2 | | |
| 44 | T | 55 | Low | 51.3 | Low | 131 Ų | 131 | 155.2 Ų | 155.2 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | | | trans | -151 | 22.6 | -170.1 | -34.6 | 0 | 0 | 0 | 0 | 115 | | |
| 45 | E | 49 | Very low | 50.4 | Low | 189 Ų | 189 | 160 Ų | 160 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | | | trans | -149.4 | 54.4 | 177.5 | -156.6 | 158.1 | -154.4 | 0 | 0 | 113.8 | | |
| 46 | E | 48.5 | Very low | 49.6 | Very low | 192 Ų | 192 | 158.4 Ų | 158.4 | 90% | 0.897 | 79% | 0.793 | S | S | * | * | | | trans | -138.8 | 99.5 | 158.4 | -72 | 179.5 | 152.6 | 0 | 0 | 105.7 | | |
| 47 | P | 49.6 | Very low | 49 | Very low | 129 Ų | 129 | 158.3 Ų | 158.3 | 84% | 0.838 | 79% | 0.788 | S | S | * | * | | | | -155.7 | 113.4 | 107.3 | 35.4 | -14.4 | 0 | 0 | 0 | 114.9 | | |
| 48 | M | 46.7 | Very low | 48.4 | Very low | 151 Ų | 151 | 162.7 Ų | 162.7 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | | | trans | -149.7 | 89.3 | 151.9 | -166.6 | 131.6 | 179.3 | 0 | 0 | 110.1 | E50 | M48-E50 VanDerWaalsContact C-N 3.29Å; M48-E50 HydrophobicContact CE-CG 3.97Å; M48-E50 VanDerWaalsContact CE-OE1 3.29Å; M48-E50 WeakPolarHBondContact CE-OE1 3.33Å; M48-E50 HydrophobicContact CG-CG 4.12Å; M48-E50 PolarHBondContact O-N 3.42Å; M48-E50 VanDerWaalsContact O-N 3.07Å |
| 49 | E | 53.1 | Low | 47.9 | Very low | 200 Ų | 200 | 165.4 Ų | 165.4 | 94% | 0.935 | 81% | 0.806 | S | S | * | * | | | trans | -79.4 | 74.2 | 176.3 | -172.6 | 179.8 | -164.3 | 0 | 0 | 109.7 | | |
| 50 | E | 50.4 | Low | 47.7 | Very low | 161 Ų | 161 | 158.2 Ų | 158.2 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | trans | -90.7 | 133.7 | 161.1 | -69 | -169.5 | 150.8 | 0 | 0 | 108.6 | M48 | M48-E50 VanDerWaalsContact C-N 3.29Å; M48-E50 HydrophobicContact CE-CG 3.97Å; M48-E50 VanDerWaalsContact CE-OE1 3.29Å; M48-E50 WeakPolarHBondContact CE-OE1 3.33Å; M48-E50 HydrophobicContact CG-CG 4.12Å; M48-E50 PolarHBondContact O-N 3.42Å; M48-E50 VanDerWaalsContact O-N 3.07Å |
| 51 | G | 44 | Very low | 47.3 | Very low | 74 Ų | 74 | 156.2 Ų | 156.2 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | trans | -116 | -164.2 | -164.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 52 | E | 40.2 | Very low | 47.1 | Very low | 196 Ų | 196 | 158.1 Ų | 158.1 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | | | trans | 74.4 | 69.2 | 161.9 | -154.5 | 170.8 | 158.2 | 0 | 0 | 118.2 | | |
| 53 | S | 43.1 | Very low | 47 | Very low | 112 Ų | 112 | 155.1 Ų | 155.1 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | | | trans | 179 | 129.3 | 139.8 | 25.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 54 | E | 45.2 | Very low | 46.7 | Very low | 180 Ų | 180 | 154 Ų | 154 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | | | cis | 68.2 | 74.1 | 44.3 | -158.1 | 167.6 | -169.2 | 0 | 0 | 110.6 | | |
| 55 | E | 39.6 | Very low | 46.5 | Very low | 173 Ų | 173 | 153.6 Ų | 153.6 | 81% | 0.808 | 76% | 0.764 | S | S | * | * | | | | 111.2 | 158.6 | 87.1 | -177.4 | 163.1 | -156.8 | 0 | 0 | 108.6 | | |
| 56 | E | 42.7 | Very low | 46.5 | Very low | 153 Ų | 153 | 151.9 Ų | 151.9 | 72% | 0.715 | 76% | 0.756 | S | S | * | * | | | trans | 64.5 | 144.4 | -171 | -77.2 | -163.9 | 108.7 | 0 | 0 | 115 | | |
| 57 | R | 43.8 | Very low | 46.6 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 66% | 0.66 | 75% | 0.749 | S | S | * | * | | | cis | 178.8 | 161.7 | -3.3 | 163.1 | 166.1 | 171.7 | 179.6 | -0.7 | 112.7 | | |
| 58 | E | 42.4 | Very low | 46.2 | Very low | 154 Ų | 154 | 150.3 Ų | 150.3 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | | | trans | 65.7 | 104.2 | 160.7 | -81.6 | 155.5 | -162.8 | 0 | 0 | 121.2 | | |
| 59 | E | 46.6 | Very low | 46 | Very low | 180 Ų | 180 | 147.3 Ų | 147.3 | 84% | 0.841 | 74% | 0.739 | S | S | * | * | | | trans | -39.5 | -176.7 | 143.2 | -111.1 | -163.6 | 143.4 | 0 | 0 | 116.8 | | |
| 60 | P | 49.8 | Very low | 45.5 | Very low | 89 Ų | 89 | 143.2 Ų | 143.2 | 58% | 0.578 | 73% | 0.733 | S | S | * | * | | | cis | -139.1 | -155.6 | -4.7 | 26.6 | 0.5 | 0 | 0 | 0 | 114.5 | | |
| 61 | T | 44.6 | Very low | 45.2 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | | | trans | 76.6 | 144.3 | 160.9 | 64.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 62 | E | 49.9 | Very low | 45.2 | Very low | 174 Ų | 174 | 141.6 Ų | 141.6 | 81% | 0.813 | 73% | 0.728 | S | S | * | * | | | cis | -163.4 | 162.8 | -9.8 | -111.8 | 165.4 | -153.6 | 0 | 0 | 106.7 | | |
| 63 | E | 49.7 | Very low | 45.6 | Very low | 136 Ų | 136 | 144 Ų | 144 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | | | cis | -117.8 | 172.2 | 0.6 | -101.8 | -157.5 | 114.7 | 0 | 0 | 109.6 | | |
| 64 | R | 47.6 | Very low | 45.8 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 65% | 0.649 | 73% | 0.728 | S | S | * | * | | | cis | 75.4 | 132.3 | 44.9 | -137.4 | 170 | 146.4 | -90.2 | -20.2 | 112.5 | | |
| 65 | E | 50.2 | Low | 45.9 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 57% | 0.565 | 73% | 0.725 | S | S | * | * | | | cis | -153.7 | 157.7 | 2.2 | -131.7 | 162.4 | -143.3 | 0 | 0 | 111.5 | | |
| 66 | E | 48.4 | Very low | 46.5 | Very low | 153 Ų | 153 | 136.5 Ų | 136.5 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | | | trans | 31.3 | 158.2 | 131.4 | -72.2 | -167.4 | 151.4 | 0 | 0 | 124.2 | | |
| 67 | L | 51.7 | Low | 46.5 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 75% | 0.749 | 73% | 0.731 | S | S | * | * | | | cis | -150.5 | 167 | 14.6 | -131.2 | 154.1 | 0 | 0 | 0 | 113.2 | | |
| 68 | N | 41.3 | Very low | 46.8 | Very low | 145 Ų | 145 | 130.1 Ų | 130.1 | 78% | 0.775 | 74% | 0.737 | S | S | * | * | | | trans | -84.3 | 166.2 | 179.4 | 176.7 | 33.6 | 0 | 0 | 0 | 113.9 | | |
| 69 | S | 40.9 | Very low | 47 | Very low | 88 Ų | 88 | 131.8 Ų | 131.8 | 62% | 0.615 | 75% | 0.745 | S | S | * | * | | | trans | 75.6 | 98.8 | 153.4 | -172.1 | 0 | 0 | 0 | 0 | 120.4 | | |
| 70 | S | 43.7 | Very low | 47.1 | Very low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | | | | 34.6 | 110 | 120.7 | -173.5 | 0 | 0 | 0 | 0 | 119.4 | | |
| 71 | S | 43.4 | Very low | 47.4 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | | | trans | -161.6 | 102.6 | 141 | -157.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 72 | S | 45.1 | Very low | 48.2 | Very low | 92 Ų | 92 | 132.2 Ų | 132.2 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | | | trans | 71.4 | 143.1 | 133.8 | 87.3 | 0 | 0 | 0 | 0 | 124.1 | | |
| 73 | R | 48.2 | Very low | 48.2 | Very low | 247 Ų | 247 | 128.9 Ų | 128.9 | 93% | 0.932 | 76% | 0.756 | S | S | * | * | | | trans | 80.5 | 136.6 | 144.6 | -74.3 | 165.6 | 154.2 | -168.6 | -8.1 | 122.1 | | |
| 74 | G | 46.6 | Very low | 48.1 | Very low | 74 Ų | 74 | 131.9 Ų | 131.9 | 76% | 0.763 | 76% | 0.762 | S | S | * | * | | | trans | 106 | 86.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 75 | A | 47.2 | Very low | 48.4 | Very low | 95 Ų | 95 | 128.8 Ų | 128.8 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | cis | 91.2 | 141.5 | 43.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 76 | V | 51.9 | Low | 48.6 | Very low | 139 Ų | 139 | 128.1 Ų | 128.1 | 84% | 0.842 | 78% | 0.776 | S | S | * | * | | | trans | 69.8 | 110.9 | -174.6 | -169.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 77 | S | 43.5 | Very low | 48.8 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | cis | 70.3 | 82.5 | 28.4 | -159.8 | 0 | 0 | 0 | 0 | 113.5 | | |
| 78 | G | 50.2 | Low | 48.9 | Very low | 76 Ų | 76 | 126 Ų | 126 | 78% | 0.784 | 78% | 0.777 | S | S | * | * | | | trans | -156.4 | 79.5 | -175 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 79 | E | 45.7 | Very low | 49.7 | Very low | 190 Ų | 190 | 127.5 Ų | 127.5 | 89% | 0.888 | 78% | 0.78 | S | S | * | * | | | trans | -68.3 | 123.8 | 165.7 | 57.4 | -159.2 | 56.7 | 0 | 0 | 111.5 | | |
| 80 | A | 48.6 | Very low | 50.1 | Low | 100 Ų | 100 | 133.3 Ų | 133.3 | 83% | 0.826 | 79% | 0.794 | S | S | * | * | | | trans | -173.2 | 143.1 | 163 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 81 | E | 56.3 | Low | 50.8 | Low | 167 Ų | 167 | 134.2 Ų | 134.2 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | | | trans | -94.9 | 143.8 | 176 | -59.8 | -161.3 | 135.8 | 0 | 0 | 112.6 | S83 | E81-S83 PolarHBondContact O-N 3.33Š|
| 82 | P | 61.4 | Low | 51 | Low | 124 Ų | 124 | 137 Ų | 137 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | | | trans | -77.7 | 103 | 173.8 | 30.7 | -32.4 | 0 | 0 | 0 | 111.5 | | |
| 83 | S | 49.9 | Very low | 51.6 | Low | 105 Ų | 105 | 141 Ų | 141 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | | | trans | -37.6 | 132.3 | 173.3 | -171.6 | 0 | 0 | 0 | 0 | 114.9 | E81 | E81-S83 PolarHBondContact O-N 3.33Š|
| 84 | Y | 48.4 | Very low | 51.7 | Low | 198 Ų | 198 | 133.8 Ų | 133.8 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | | | trans | -62.6 | 147.4 | 161 | -11.7 | -78.7 | 0 | 0 | 0 | 109.7 | | |
| 85 | S | 54.5 | Low | 51.9 | Low | 107 Ų | 107 | 138.3 Ų | 138.3 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | | | trans | -144.5 | 150.3 | -178 | -179.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 86 | S | 53.7 | Low | 51.4 | Low | 107 Ų | 107 | 142.7 Ų | 142.7 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | 65 | 105.4 | 175.9 | -56.5 | 0 | 0 | 0 | 0 | 113.8 | | |
| 87 | D | 51.6 | Low | 51.1 | Low | 158 Ų | 158 | 142.1 Ų | 142.1 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | | | cis | 64.8 | 97.5 | 35.6 | -158.7 | 19.4 | 0 | 0 | 0 | 113.4 | | |
| 88 | S | 53.9 | Low | 51.2 | Low | 93 Ų | 93 | 140.1 Ų | 140.1 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | | | trans | -158.2 | 128.9 | 141.6 | -138 | 0 | 0 | 0 | 0 | 111.6 | | |
| 89 | E | 59.9 | Low | 51.1 | Low | 177 Ų | 177 | 145.1 Ų | 145.1 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | | | trans | 63.1 | 116.9 | 146.6 | -68.4 | 159.1 | 120.5 | 0 | 0 | 121.4 | | |
| 90 | K | 49.4 | Very low | 51 | Low | 210 Ų | 210 | 140.4 Ų | 140.4 | 91% | 0.913 | 79% | 0.785 | S | S | * | * | | | trans | -93.9 | 138.3 | 164.8 | -56.4 | 150.2 | -179 | 163 | 0 | 109 | | |
| 91 | N | 56.9 | Low | 51.2 | Low | 134 Ų | 134 | 143.8 Ų | 143.8 | 72% | 0.717 | 78% | 0.784 | S | S | * | * | | | trans | -157 | 92 | 143.1 | -163.9 | 30.4 | 0 | 0 | 0 | 111.6 | | |
| 92 | D | 48.5 | Very low | 50.4 | Low | 168 Ų | 168 | 140.7 Ų | 140.7 | 90% | 0.898 | 78% | 0.781 | S | S | * | * | | | trans | -92.9 | 99.9 | 164 | -91.1 | -61.6 | 0 | 0 | 0 | 108.3 | | |
| 93 | E | 58.1 | Low | 49.7 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | | | trans | -87.6 | 141.2 | 173.6 | -163.1 | 170.2 | 124.1 | 0 | 0 | 111 | | |
| 94 | S | 49.3 | Very low | 49.6 | Very low | 96 Ų | 96 | 148 Ų | 148 | 67% | 0.671 | 79% | 0.789 | S | S | * | * | | | trans | -108.4 | 159.3 | -157.7 | 68.4 | 0 | 0 | 0 | 0 | 115.4 | | |
| 95 | M | 50.2 | Low | 49.9 | Very low | 169 Ų | 169 | 146.6 Ų | 146.6 | 83% | 0.833 | 80% | 0.796 | S | S | * | * | | | trans | 75.7 | 87.4 | 156.9 | -59 | -156.4 | 171.1 | 0 | 0 | 119.2 | T97 | M95-T97 PolarHBondContact O-N 2.75Š|
| 96 | H | 37.9 | Very low | 49.5 | Very low | 187 Ų | 187 | 144.8 Ų | 144.8 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | | | trans | -27.9 | 115.9 | 131.3 | 168 | 10.6 | 0 | 0 | 0 | 115.4 | | |
| 97 | T | 45 | Very low | 49.5 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -161.6 | 128.9 | 154.7 | 41.9 | 0 | 0 | 0 | 0 | 112.4 | M95 | M95-T97 PolarHBondContact O-N 2.75Š|
| 98 | G | 45 | Very low | 49.5 | Very low | 75 Ų | 75 | 147.3 Ų | 147.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | trans | 65.6 | 171.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 99 | E | 49.2 | Very low | 49.4 | Very low | 182 Ų | 182 | 149 Ų | 149 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | | | cis | -162.4 | 145.8 | -25.7 | -175.5 | 148.6 | 70.8 | 0 | 0 | 108.6 | | |
| 100 | S | 44 | Very low | 48.6 | Very low | 90 Ų | 90 | 150.5 Ų | 150.5 | 63% | 0.629 | 79% | 0.791 | S | S | * | * | | | trans | 50.6 | -178 | 165.7 | 61.9 | 0 | 0 | 0 | 0 | 117.5 | | |
| 101 | E | 51.3 | Low | 48.7 | Very low | 172 Ų | 172 | 149.2 Ų | 149.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | cis | -138.5 | 174.6 | -8.9 | -2.7 | -143.4 | 97.8 | 0 | 0 | 112.3 | | |
| 102 | S | 40.1 | Very low | 48.2 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | | | trans | -76.6 | 149.8 | -180 | -174.8 | 0 | 0 | 0 | 0 | 113.9 | | |
| 103 | F | 47 | Very low | 48.2 | Very low | 199 Ų | 199 | 146.6 Ų | 146.6 | 87% | 0.873 | 78% | 0.779 | S | S | * | * | | | trans | -147.1 | 142 | 140.1 | 40.2 | -93.3 | 0 | 0 | 0 | 111.8 | | |
| 104 | E | 48 | Very low | 47.9 | Very low | 182 Ų | 182 | 143.6 Ų | 143.6 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | | | trans | -88.8 | 157.7 | -174.8 | -59.6 | 162.3 | 114.8 | 0 | 0 | 111.3 | | |
| 105 | N | 54.4 | Low | 48 | Very low | 169 Ų | 169 | 146.9 Ų | 146.9 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | | | trans | -146.9 | 144.5 | 144.9 | -159.3 | 6.9 | 0 | 0 | 0 | 109.7 | | |
| 106 | A | 46.8 | Very low | 48.1 | Very low | 70 Ų | 70 | 144.5 Ų | 144.5 | 58% | 0.579 | 77% | 0.774 | S | S | * | * | | | trans | -134.3 | 176.1 | -169 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 107 | E | 53.5 | Low | 49 | Very low | 186 Ų | 186 | 143.3 Ų | 143.3 | 87% | 0.869 | 77% | 0.766 | S | S | * | * | | | trans | 70.8 | 155.6 | 172 | -40.1 | -164.9 | 155.9 | 0 | 0 | 113 | | |
| 108 | D | 50.6 | Low | 49 | Very low | 131 Ų | 131 | 143.1 Ų | 143.1 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | cis | -151.7 | 174.9 | 16.9 | -167.5 | 12.7 | 0 | 0 | 0 | 112.6 | | |
| 109 | L | 52.9 | Low | 49.2 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | | | trans | 68.9 | 95.9 | 155.1 | -80 | 156 | 0 | 0 | 0 | 120.5 | | |
| 110 | K | 43.6 | Very low | 49.7 | Very low | 208 Ų | 208 | 140.9 Ų | 140.9 | 90% | 0.904 | 76% | 0.761 | S | S | * | * | | | trans | -77 | 134.2 | 148.6 | -66 | 172.8 | 178.5 | 170.4 | 0 | 110.7 | | |
| 111 | K | 51.4 | Low | 50.2 | Low | 183 Ų | 183 | 148.5 Ų | 148.5 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | | | trans | -154.9 | 113.9 | 159.5 | -145.7 | 113.8 | -177.9 | -174.9 | 0 | 114.9 | | |
| 112 | S | 44.7 | Very low | 50.4 | Low | 93 Ų | 93 | 148 Ų | 148 | 65% | 0.65 | 78% | 0.778 | S | S | * | * | | | trans | 26.4 | 116.7 | 150.3 | 57.7 | 0 | 0 | 0 | 0 | 121.8 | | |
| 113 | D | 48.8 | Very low | 51.4 | Low | 153 Ų | 153 | 150.6 Ų | 150.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | | 22.1 | 159.3 | 110.6 | -71.7 | -54.3 | 0 | 0 | 0 | 121.4 | | |
| 114 | P | 53.1 | Low | 52.2 | Low | 112 Ų | 112 | 152.8 Ų | 152.8 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | | | cis | -141.5 | 156.5 | -33.1 | 37.5 | -21.4 | 0 | 0 | 0 | 113.9 | | |
| 115 | E | 50.8 | Low | 52.7 | Low | 165 Ų | 165 | 155.1 Ų | 155.1 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | | | trans | -143.8 | 128 | 154.5 | -136 | -168 | 138.3 | 0 | 0 | 117.3 | K117 | E115-K117 IonicContact OE1-NZ 2.59Å; E115-K117 PolarHBondContact OE1-NZ 3.32Å |
| 116 | V | 51.2 | Low | 53.2 | Low | 118 Ų | 118 | 155 Ų | 155 | 72% | 0.715 | 78% | 0.779 | S | S | * | * | | | trans | -51.9 | 142 | 174.7 | -166.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 117 | K | 56.6 | Low | 54.1 | Low | 162 Ų | 162 | 158.4 Ų | 158.4 | 70% | 0.704 | 79% | 0.786 | S | S | * | * | | | | 174.6 | 127.6 | 123.8 | -87 | 138.6 | -135.4 | 155.1 | 0 | 114.7 | E115 | E115-K117 IonicContact OE1-NZ 2.59Å; E115-K117 PolarHBondContact OE1-NZ 3.32Å |
| 118 | S | 45 | Very low | 53.9 | Low | 124 Ų | 124 | 160 Ų | 160 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | | | trans | 70.6 | 98.1 | 152.3 | -145.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 119 | S | 50.7 | Low | 54.7 | Low | 110 Ų | 110 | 164.1 Ų | 164.1 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -107.4 | -175.1 | 143.4 | -145 | 0 | 0 | 0 | 0 | 107.2 | | |
| 120 | P | 58.6 | Low | 55.8 | Low | 100 Ų | 100 | 165.4 Ų | 165.4 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | | | cis | -133.4 | -179.7 | -11.6 | 42.1 | -27.2 | 0 | 0 | 0 | 113.5 | | |
| 121 | R | 54.2 | Low | 56.8 | Low | 249 Ų | 249 | 167.2 Ų | 167.2 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | | | trans | -161.9 | 138.4 | 139.4 | -109.6 | 159 | -160.4 | -154.9 | 2.8 | 112.4 | | |
| 122 | L | 55.8 | Low | 57.1 | Low | 162 Ų | 162 | 166.4 Ų | 166.4 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | | | trans | -99.5 | 141.3 | -172.3 | -58.6 | 169.8 | 0 | 0 | 0 | 111.1 | | |
| 123 | I | 61.7 | Low | 57.7 | Low | 157 Ų | 157 | 170.3 Ų | 170.3 | 81% | 0.805 | 82% | 0.822 | S | S | * | * | | | trans | -126 | 92 | 161.9 | -59.5 | -176.7 | 0 | 0 | 0 | 108.9 | R125 | I123-R125 HydrophobicContact CG2-CG 4.38Å; I123-R125 PolarHBondContact O-N 2.59Å |
| 124 | R | 64.4 | Low | 58.2 | Low | 244 Ų | 244 | 171.2 Ų | 171.2 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | | | trans | -84.4 | 94.6 | 179 | -173.2 | -176.2 | -169.6 | 176.9 | 3.8 | 109.9 | | |
| 125 | R | 57.9 | Low | 58.5 | Low | 231 Ų | 231 | 174.7 Ų | 174.7 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | | | trans | -104.8 | 90.8 | 168.8 | -81.4 | -173.7 | 170.9 | -177.2 | -2 | 110.5 | I123 | I123-R125 HydrophobicContact CG2-CG 4.38Å; I123-R125 PolarHBondContact O-N 2.59Å |
| 126 | Q | 65.3 | Low | 59 | Low | 167 Ų | 167 | 175.3 Ų | 175.3 | 78% | 0.78 | 83% | 0.831 | S | S | * | * | | | trans | -145.3 | 138.7 | 166.8 | -90.6 | -158.5 | -21.6 | 0 | 0 | 113.1 | | |
| 127 | I | 66.1 | Low | 59.5 | Low | 142 Ų | 142 | 179.1 Ų | 179.1 | 73% | 0.728 | 84% | 0.839 | S | S | * | * | | | trans | 75.6 | 126.5 | 159.1 | -61.8 | 159.7 | 0 | 0 | 0 | 116.5 | R129 | I127-R129 HydrophobicContact CG2-CG 4.33Š|
| 128 | R | 48.7 | Very low | 59.7 | Low | 220 Ų | 220 | 180.4 Ų | 180.4 | 83% | 0.83 | 85% | 0.848 | S | S | * | * | | | trans | -123.3 | 120.7 | 172.3 | 176.9 | -165.3 | -160.3 | 123.9 | -0.2 | 105.4 | | |
| 129 | R | 67.9 | Low | 60.9 | Low | 216 Ų | 216 | 184.7 Ų | 184.7 | 82% | 0.815 | 85% | 0.847 | S | S | * | * | | | trans | -148 | 117.4 | 161.7 | -62 | -172.4 | -175.2 | -177.7 | 0.4 | 103.8 | I127 | I127-R129 HydrophobicContact CG2-CG 4.33Š|
| 130 | E | 74.4 | Confident | 61.7 | Low | 157 Ų | 157 | 190.9 Ų | 190.9 | 73% | 0.734 | 85% | 0.853 | S | S | * | * | | | | 75 | 123.8 | 57.7 | -62.4 | 171.7 | 153 | 0 | 0 | 110.6 | | |
| 131 | D | 65.6 | Low | 62 | Low | 246 Ų | 246 | 199.2 Ų | 199.2 | 100% | 1.316 | 87% | 0.872 | S | S | * | * | | | trans | 62.3 | 0 | -172.2 | -51.9 | -23.1 | 0 | 0 | 0 | 117.9 | | |