| 1 | M | 40.7 | Very low | 61.5 | Low | 241 Ų | 241 | 105.8 Ų | 105.8 | 100% | 1.187 | 67% | 0.665 | S | S | * | * | | | | 0 | 119.5 | 0 | -67.4 | 158.1 | 69.3 | 0 | 0 | 106.4 | | |
| 2 | S | 43.8 | Very low | 63.4 | Low | 126 Ų | 126 | 106.3 Ų | 106.3 | 88% | 0.881 | 65% | 0.653 | S | S | * | * | | | trans | -89.4 | 126.8 | -178.1 | -160.9 | 0 | 0 | 0 | 0 | 110.1 | G4 | S2-G4 VanDerWaalsContact C-N 3.28Å; S2-G4 PolarHBondContact O-N 3.48Å |
| 3 | S | 52.3 | Low | 65.3 | Low | 119 Ų | 119 | 107.2 Ų | 107.2 | 83% | 0.832 | 64% | 0.644 | S | S | * | * | | | trans | -77.9 | 78.5 | 177.8 | -58.8 | 0 | 0 | 0 | 0 | 109.8 | S5 | S3-S5 PolarHBondContact O-N 3.25Š|
| 4 | G | 52.3 | Low | 67.1 | Low | 47 Ų | 47 | 108.4 Ų | 108.4 | 49% | 0.485 | 64% | 0.637 | S | S | . | * | | | trans | -50.6 | 128.5 | 170.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | S2 | S2-G4 VanDerWaalsContact C-N 3.28Å; S2-G4 PolarHBondContact O-N 3.48Å |
| 5 | S | 62.1 | Low | 68.7 | Low | 54 Ų | 54 | 107.1 Ų | 107.1 | 38% | 0.378 | 63% | 0.626 | S | S | . | * | | | trans | -63.7 | 155.3 | -170.2 | 72.4 | 0 | 0 | 0 | 0 | 111 | S3 Q7 D8 V9 | S3-S5 PolarHBondContact O-N 3.25Å; S5-Q7 PolarHBondContact O-N 2.83Å; S5-Q7 PolarHBondContact OG-N 3.24Å; S5-D8 WeakPolarHBondContact O-CB 3.15Å; S5-D8 PolarHBondContact O-N 3.16Å; S5-D8 PolarHBondContact OG-N 3.15Å; S5-D8 VanDerWaalsContact OG-N 3.08Å; S5-V9 PolarHBondContact O-N 3.26Å |
| 6 | A | 61.3 | Low | 70 | Confident | 91 Ų | 91 | 110 Ų | 110 | 75% | 0.752 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -59.3 | -21.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A10 | A6-A10 WeakPolarHBondContact O-CB 3.49Å; A6-A10 PolarHBondContact O-N 3.21Å |
| 7 | Q | 59.5 | Low | 71.2 | Confident | 154 Ų | 154 | 105.6 Ų | 105.6 | 72% | 0.72 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.1 | -42.7 | 172.3 | -67.7 | 174.6 | -20.4 | 0 | 0 | 112 | S5 V9 A10 V11 | S5-Q7 PolarHBondContact O-N 2.83Å; S5-Q7 PolarHBondContact OG-N 3.24Å; Q7-V9 VanDerWaalsContact C-N 3.33Å; Q7-V9 PolarHBondContact O-N 3.19Å; Q7-A10 PolarHBondContact O-N 3.01Å; Q7-A10 VanDerWaalsContact O-N 3.17Å; Q7-V11 WeakPolarHBondContact O-CG2 3.15Å; Q7-V11 PolarHBondContact O-N 3.09Å |
| 8 | D | 69.4 | Low | 72.4 | Confident | 97 Ų | 97 | 103.9 Ų | 103.9 | 52% | 0.519 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -56.5 | -47.1 | 173 | -90.9 | -28.7 | 0 | 0 | 0 | 111.1 | S5 A10 V11 E12 | S5-D8 WeakPolarHBondContact O-CB 3.15Å; S5-D8 PolarHBondContact O-N 3.16Å; S5-D8 PolarHBondContact OG-N 3.15Å; S5-D8 VanDerWaalsContact OG-N 3.08Å; D8-A10 VanDerWaalsContact C-N 3.28Å; D8-A10 PolarHBondContact O-N 2.74Å; D8-V11 PolarHBondContact O-N 3.14Å; D8-E12 WeakPolarHBondContact O-CB 3.22Å; D8-E12 PolarHBondContact O-N 3.26Å |
| 9 | V | 76.3 | Confident | 73.4 | Confident | 97 Ų | 97 | 103.5 Ų | 103.5 | 59% | 0.588 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.1 | -35.3 | 179.7 | -177.8 | 0 | 0 | 0 | 0 | 111.4 | S5 Q7 H13 | S5-V9 PolarHBondContact O-N 3.26Å; Q7-V9 VanDerWaalsContact C-N 3.33Å; Q7-V9 PolarHBondContact O-N 3.19Å; V9-H13 WeakPolarHBondContact O-CB 3.21Å; V9-H13 PolarHBondContact O-N 3.47Å |
| 10 | A | 76.5 | Confident | 74.3 | Confident | 60 Ų | 60 | 103.1 Ų | 103.1 | 50% | 0.496 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -70.5 | -39.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | A6 Q7 D8 H13 F14 | A6-A10 WeakPolarHBondContact O-CB 3.49Å; A6-A10 PolarHBondContact O-N 3.21Å; Q7-A10 PolarHBondContact O-N 3.01Å; Q7-A10 VanDerWaalsContact O-N 3.17Å; D8-A10 VanDerWaalsContact C-N 3.28Å; D8-A10 PolarHBondContact O-N 2.74Å; A10-H13 PolarHBondContact O-N 2.84Å; A10-F14 VanDerWaalsContact O-CB 3.29Å; A10-F14 WeakPolarHBondContact O-CB 3.19Å; A10-F14 PolarHBondContact O-N 2.85Å |
| 11 | V | 82.4 | Confident | 74.9 | Confident | 78 Ų | 78 | 104.2 Ų | 104.2 | 47% | 0.473 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.9 | -46.6 | 175.2 | 169.9 | 0 | 0 | 0 | 0 | 110.6 | Q7 D8 H13 F14 L15 | Q7-V11 WeakPolarHBondContact O-CG2 3.15Å; Q7-V11 PolarHBondContact O-N 3.09Å; D8-V11 PolarHBondContact O-N 3.14Å; V11-H13 VanDerWaalsContact C-N 3.35Å; V11-H13 PolarHBondContact O-N 2.96Å; V11-F14 WeakPolarHBondContact O-CB 3.06Å; V11-F14 PolarHBondContact O-N 3.39Å; V11-L15 HydrophobicContact CG1-CD1 3.84Å; V11-L15 HydrophobicContact CG1-CG 4.26Å; V11-L15 WeakPolarHBondContact O-CB 3.2Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.21Å; V11-L15 PolarHBondContact O-N 2.84Å |
| 12 | E | 84.7 | Confident | 77.1 | Confident | 112 Ų | 112 | 96.1 Ų | 96.1 | 52% | 0.523 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -57.3 | -45.2 | 172.5 | -89.9 | -64.8 | 128.8 | 0 | 0 | 111.9 | D8 F14 L15 R16 | D8-E12 WeakPolarHBondContact O-CB 3.22Å; D8-E12 PolarHBondContact O-N 3.26Å; E12-F14 VanDerWaalsContact C-N 3.33Å; E12-F14 PolarHBondContact O-N 3.43Å; E12-L15 PolarHBondContact O-N 3.21Å; E12-R16 VanDerWaalsContact O-CB 3.31Å; E12-R16 WeakPolarHBondContact O-CB 3.45Å; E12-R16 VanDerWaalsContact O-CG 3.29Å; E12-R16 WeakPolarHBondContact O-CG 3.12Å; E12-R16 PolarHBondContact O-N 3.14Å |
| 13 | H | 87.3 | Confident | 79 | Confident | 117 Ų | 117 | 95.4 Ų | 95.4 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -66.6 | -35.3 | 177.5 | -168.1 | -95.8 | 0 | 0 | 0 | 112.6 | V9 A10 V11 D17 | V9-H13 WeakPolarHBondContact O-CB 3.21Å; V9-H13 PolarHBondContact O-N 3.47Å; A10-H13 PolarHBondContact O-N 2.84Å; V11-H13 VanDerWaalsContact C-N 3.35Å; V11-H13 PolarHBondContact O-N 2.96Å; H13-D17 WeakPolarHBondContact O-CB 3.38Å; H13-D17 PolarHBondContact O-N 2.89Å |
| 14 | F | 90.4 | Very high | 80.2 | Confident | 124 Ų | 124 | 96.9 Ų | 96.9 | 54% | 0.544 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.6 | -46.9 | 174.6 | 178.1 | -110.1 | 0 | 0 | 0 | 112 | A10 V11 E12 D17 I18 | A10-F14 VanDerWaalsContact O-CB 3.29Å; A10-F14 WeakPolarHBondContact O-CB 3.19Å; A10-F14 PolarHBondContact O-N 2.85Å; V11-F14 WeakPolarHBondContact O-CB 3.06Å; V11-F14 PolarHBondContact O-N 3.39Å; E12-F14 VanDerWaalsContact C-N 3.33Å; E12-F14 PolarHBondContact O-N 3.43Å; F14-D17 PolarHBondContact O-N 3.42Å; F14-I18 HydrophobicContact CD1-CD1 3.83Å; F14-I18 HydrophobicContact CE1-CD1 3.44Å; F14-I18 VanDerWaalsContact CE1-CD1 3.44Å; F14-I18 HydrophobicContact CE2-CD1 4.22Å; F14-I18 HydrophobicContact CG-CD1 4.38Å; F14-I18 HydrophobicContact CZ-CD1 3.67Å; F14-I18 HydrophobicContact CZ-CG1 4.48Å; F14-I18 WeakPolarHBondContact O-CG1 2.98Å; F14-I18 PolarHBondContact O-N 3.34Å |
| 15 | L | 92 | Very high | 81.5 | Confident | 89 Ų | 89 | 100.2 Ų | 100.2 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.6 | -44.4 | 175.7 | -70.4 | 173.8 | 0 | 0 | 0 | 111.4 | V11 E12 D17 I18 E19 | V11-L15 HydrophobicContact CG1-CD1 3.84Å; V11-L15 HydrophobicContact CG1-CG 4.26Å; V11-L15 WeakPolarHBondContact O-CB 3.2Å; V11-L15 VanDerWaalsContact O-CG 3.31Å; V11-L15 WeakPolarHBondContact O-CG 3.21Å; V11-L15 PolarHBondContact O-N 2.84Å; E12-L15 PolarHBondContact O-N 3.21Å; L15-D17 VanDerWaalsContact C-N 3.29Å; L15-D17 PolarHBondContact O-N 3.37Å; L15-I18 PolarHBondContact O-N 2.98Å; L15-E19 WeakPolarHBondContact O-CB 3.43Å; L15-E19 PolarHBondContact O-N 3.42Å |
| 16 | R | 88.7 | Confident | 82.3 | Confident | 154 Ų | 154 | 103.4 Ų | 103.4 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.7 | -30.3 | 174 | -71.5 | -170.9 | 72 | 175.1 | 3.9 | 112.9 | E12 R20 | E12-R16 VanDerWaalsContact O-CB 3.31Å; E12-R16 WeakPolarHBondContact O-CB 3.45Å; E12-R16 VanDerWaalsContact O-CG 3.29Å; E12-R16 WeakPolarHBondContact O-CG 3.12Å; E12-R16 PolarHBondContact O-N 3.14Å; R16-R20 WeakPolarHBondContact O-CB 3.3Å; R16-R20 PolarHBondContact O-N 3.19Å |
| 17 | D | 90.9 | Very high | 82.7 | Confident | 35 Ų | 35 | 101.3 Ų | 101.3 | 19% | 0.187 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -79.8 | -31.5 | 173.9 | -166.4 | 60.6 | 0 | 0 | 0 | 113.4 | H13 F14 L15 R20 R21 | H13-D17 WeakPolarHBondContact O-CB 3.38Å; H13-D17 PolarHBondContact O-N 2.89Å; F14-D17 PolarHBondContact O-N 3.42Å; L15-D17 VanDerWaalsContact C-N 3.29Å; L15-D17 PolarHBondContact O-N 3.37Å; D17-R20 PolarHBondContact O-N 2.81Å; D17-R20 IonicContact OD1-CZ 3.4Å; D17-R20 IonicContact OD1-NH1 2.71Å; D17-R20 PolarHBondContact OD1-NH1 2.97Å; D17-R21 WeakPolarHBondContact O-CB 3.3Å; D17-R21 WeakPolarHBondContact O-CG 3.49Å; D17-R21 PolarHBondContact O-N 3.08Å; D17-R21 IonicContact OD2-CZ 3.46Å; D17-R21 IonicContact OD2-NE 2.76Å; D17-R21 PolarHBondContact OD2-NE 3.36Å; D17-R21 IonicContact OD2-NH2 2.66Å; D17-R21 PolarHBondContact OD2-NH2 3.17Å |
| 18 | I | 92.7 | Very high | 83.1 | Confident | 75 Ų | 75 | 97 Ų | 97 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60 | -48 | 165.8 | -72.5 | 169 | 0 | 0 | 0 | 109.6 | F14 L15 R20 R21 S22 | F14-I18 HydrophobicContact CD1-CD1 3.83Å; F14-I18 HydrophobicContact CE1-CD1 3.44Å; F14-I18 VanDerWaalsContact CE1-CD1 3.44Å; F14-I18 HydrophobicContact CE2-CD1 4.22Å; F14-I18 HydrophobicContact CG-CD1 4.38Å; F14-I18 HydrophobicContact CZ-CD1 3.67Å; F14-I18 HydrophobicContact CZ-CG1 4.48Å; F14-I18 WeakPolarHBondContact O-CG1 2.98Å; F14-I18 PolarHBondContact O-N 3.34Å; L15-I18 PolarHBondContact O-N 2.98Å; I18-R20 PolarHBondContact O-N 2.99Å; I18-R21 PolarHBondContact O-N 3.29Å; I18-S22 VanDerWaalsContact O-CB 3.27Å; I18-S22 WeakPolarHBondContact O-CB 3.34Å; I18-S22 PolarHBondContact O-N 3.19Å |
| 19 | E | 91.9 | Very high | 83.2 | Confident | 96 Ų | 96 | 98.4 Ų | 98.4 | 45% | 0.449 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 178.1 | -158.4 | -146 | -154.3 | 0 | 0 | 111.4 | L15 R21 S22 K23 | L15-E19 WeakPolarHBondContact O-CB 3.43Å; L15-E19 PolarHBondContact O-N 3.42Å; E19-R21 PolarHBondContact O-N 2.92Å; E19-S22 PolarHBondContact O-N 3.25Å; E19-K23 HydrophobicContact CG-CD 4.32Å; E19-K23 WeakPolarHBondContact O-CB 3.35Å; E19-K23 WeakPolarHBondContact O-CG 3.29Å; E19-K23 PolarHBondContact O-N 3.17Å; E19-K23 VanDerWaalsContact OE1-CE 3.26Å; E19-K23 WeakPolarHBondContact OE1-CE 3.4Å; E19-K23 IonicContact OE1-NZ 2.68Å; E19-K23 PolarHBondContact OE1-NZ 2.98Å; E19-K23 WeakPolarHBondContact OE2-CE 3.43Å; E19-K23 IonicContact OE2-NZ 3.81Å; E19-K23 PolarHBondContact OE2-NZ 2.99Å |
| 20 | R | 90.1 | Very high | 83.1 | Confident | 95 Ų | 95 | 98.6 Ų | 98.6 | 36% | 0.358 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.8 | -28.5 | 176 | -168.3 | -164.2 | -64.5 | 128.4 | -5.7 | 113.3 | R16 D17 I18 R24 | R16-R20 WeakPolarHBondContact O-CB 3.3Å; R16-R20 PolarHBondContact O-N 3.19Å; D17-R20 PolarHBondContact O-N 2.81Å; D17-R20 IonicContact OD1-CZ 3.4Å; D17-R20 IonicContact OD1-NH1 2.71Å; D17-R20 PolarHBondContact OD1-NH1 2.97Å; I18-R20 PolarHBondContact O-N 2.99Å; R20-R24 WeakPolarHBondContact O-CG 3.35Å; R20-R24 PolarHBondContact O-N 3.05Å; R20-R24 PolarHBondContact O-NE 3.4Å |
| 21 | R | 87.4 | Confident | 81.9 | Confident | 127 Ų | 127 | 98.7 Ų | 98.7 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -77.5 | -45.5 | 170.9 | -81.5 | -174.6 | -102.4 | 157.4 | -4.9 | 111 | D17 I18 E19 R24 L25 | D17-R21 WeakPolarHBondContact O-CB 3.3Å; D17-R21 WeakPolarHBondContact O-CG 3.49Å; D17-R21 PolarHBondContact O-N 3.08Å; D17-R21 IonicContact OD2-CZ 3.46Å; D17-R21 IonicContact OD2-NE 2.76Å; D17-R21 PolarHBondContact OD2-NE 3.36Å; D17-R21 IonicContact OD2-NH2 2.66Å; D17-R21 PolarHBondContact OD2-NH2 3.17Å; I18-R21 PolarHBondContact O-N 3.29Å; E19-R21 PolarHBondContact O-N 2.92Å; R21-R24 PolarHBondContact O-N 3.29Å; R21-L25 WeakPolarHBondContact O-CG 3.09Å; R21-L25 PolarHBondContact O-N 2.76Å |
| 22 | S | 86.4 | Confident | 80.3 | Confident | 71 Ų | 71 | 98.6 Ų | 98.6 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.5 | -50.1 | 176.4 | -176.7 | 0 | 0 | 0 | 0 | 111.6 | I18 E19 R24 L25 H26 | I18-S22 VanDerWaalsContact O-CB 3.27Å; I18-S22 WeakPolarHBondContact O-CB 3.34Å; I18-S22 PolarHBondContact O-N 3.19Å; E19-S22 PolarHBondContact O-N 3.25Å; S22-R24 VanDerWaalsContact C-N 3.34Å; S22-R24 PolarHBondContact O-N 2.91Å; S22-L25 PolarHBondContact O-N 2.71Å; S22-H26 VanDerWaalsContact O-CB 3.27Å; S22-H26 WeakPolarHBondContact O-CB 3.4Å; S22-H26 PolarHBondContact O-N 3.36Å |
| 23 | K | 83.8 | Confident | 78.5 | Confident | 111 Ų | 111 | 99.2 Ų | 99.2 | 48% | 0.483 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.2 | -41.9 | 175.3 | -74.6 | 172.5 | 179.2 | 169.6 | 0 | 112.6 | E19 H26 C27 | E19-K23 HydrophobicContact CG-CD 4.32Å; E19-K23 WeakPolarHBondContact O-CB 3.35Å; E19-K23 WeakPolarHBondContact O-CG 3.29Å; E19-K23 PolarHBondContact O-N 3.17Å; E19-K23 VanDerWaalsContact OE1-CE 3.26Å; E19-K23 WeakPolarHBondContact OE1-CE 3.4Å; E19-K23 IonicContact OE1-NZ 2.68Å; E19-K23 PolarHBondContact OE1-NZ 2.98Å; E19-K23 WeakPolarHBondContact OE2-CE 3.43Å; E19-K23 IonicContact OE2-NZ 3.81Å; E19-K23 PolarHBondContact OE2-NZ 2.99Å; K23-H26 PolarHBondContact O-N 3.43Å; K23-C27 WeakPolarHBondContact O-CB 3.45Å; K23-C27 PolarHBondContact O-N 3.26Å; K23-C27 PolarHBondContact O-SG 3.18Å; K23-C27 VanDerWaalsContact O-SG 3.34Å |
| 24 | R | 78.8 | Confident | 76.6 | Confident | 150 Ų | 150 | 102 Ų | 102 | 57% | 0.566 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.1 | -37.5 | 177.1 | -77.1 | -176.9 | -73.9 | -170.8 | 4.5 | 113.1 | R20 R21 S22 A28 | R20-R24 WeakPolarHBondContact O-CG 3.35Å; R20-R24 PolarHBondContact O-N 3.05Å; R20-R24 PolarHBondContact O-NE 3.4Å; R21-R24 PolarHBondContact O-N 3.29Å; S22-R24 VanDerWaalsContact C-N 3.34Å; S22-R24 PolarHBondContact O-N 2.91Å; R24-A28 WeakPolarHBondContact O-CB 3.42Å; R24-A28 PolarHBondContact O-N 3.46Å |
| 25 | L | 79.4 | Confident | 74.4 | Confident | 118 Ų | 118 | 103.8 Ų | 103.8 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66.8 | -41.8 | 172.2 | -70.7 | 169.6 | 0 | 0 | 0 | 111.5 | R21 S22 A28 V29 | R21-L25 WeakPolarHBondContact O-CG 3.09Å; R21-L25 PolarHBondContact O-N 2.76Å; S22-L25 PolarHBondContact O-N 2.71Å; L25-A28 PolarHBondContact O-N 2.84Å; L25-V29 WeakPolarHBondContact O-CB 3.44Å; L25-V29 VanDerWaalsContact O-CG2 3.25Å; L25-V29 WeakPolarHBondContact O-CG2 3.48Å; L25-V29 PolarHBondContact O-N 2.8Å |
| 26 | H | 77.7 | Confident | 72.1 | Confident | 120 Ų | 120 | 108 Ų | 108 | 56% | 0.556 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -61.6 | -45.6 | 176.1 | -176.5 | -98.2 | 0 | 0 | 0 | 111.8 | S22 K23 V29 I30 | S22-H26 VanDerWaalsContact O-CB 3.27Å; S22-H26 WeakPolarHBondContact O-CB 3.4Å; S22-H26 PolarHBondContact O-N 3.36Å; K23-H26 PolarHBondContact O-N 3.43Å; H26-V29 PolarHBondContact O-N 3.45Å; H26-I30 WeakPolarHBondContact CE1-CD1 3.43Å; H26-I30 WeakPolarHBondContact O-CB 3.48Å; H26-I30 WeakPolarHBondContact O-CG1 3.48Å; H26-I30 PolarHBondContact O-N 3.18Å |
| 27 | C | 69.6 | Low | 69.6 | Low | 47 Ų | 47 | 103 Ų | 103 | 32% | 0.318 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -55.8 | -49.5 | 170.5 | -79.5 | 0 | 0 | 0 | 0 | 112.4 | K23 I30 G31 C32 | K23-C27 WeakPolarHBondContact O-CB 3.45Å; K23-C27 PolarHBondContact O-N 3.26Å; K23-C27 PolarHBondContact O-SG 3.18Å; K23-C27 VanDerWaalsContact O-SG 3.34Å; C27-I30 PolarHBondContact O-N 2.73Å; C27-G31 PolarHBondContact O-N 3.39Å; C27-G31 VanDerWaalsContact O-N 3.12Å; C27-C32 CarbonylContact C-O 3.51Å; C27-C32 WeakPolarHBondContact CB-O 3.31Å; C27-C32 CarbonylContact O-C 2.83Å; C27-C32 PolarHBondContact O-N 2.97Å |
| 28 | A | 68.8 | Low | 67.3 | Low | 63 Ų | 63 | 106.3 Ų | 106.3 | 52% | 0.521 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R24 L25 G31 | R24-A28 WeakPolarHBondContact O-CB 3.42Å; R24-A28 PolarHBondContact O-N 3.46Å; L25-A28 PolarHBondContact O-N 2.84Å; A28-G31 PolarHBondContact O-N 3.45Å |
| 29 | V | 70.5 | Confident | 64.9 | Low | 127 Ų | 127 | 105.8 Ų | 105.8 | 77% | 0.77 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -70 | -34.1 | 178.8 | 166.4 | 0 | 0 | 0 | 0 | 112.2 | L25 H26 G31 | L25-V29 WeakPolarHBondContact O-CB 3.44Å; L25-V29 VanDerWaalsContact O-CG2 3.25Å; L25-V29 WeakPolarHBondContact O-CG2 3.48Å; L25-V29 PolarHBondContact O-N 2.8Å; H26-V29 PolarHBondContact O-N 3.45Å; V29-G31 VanDerWaalsContact C-N 3.28Å |
| 30 | I | 74.6 | Confident | 62.6 | Low | 101 Ų | 101 | 106 Ų | 106 | 52% | 0.518 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -80.5 | -11.3 | 175.8 | -68.5 | 177 | 0 | 0 | 0 | 111.8 | H26 C27 C32 | H26-I30 WeakPolarHBondContact CE1-CD1 3.43Å; H26-I30 WeakPolarHBondContact O-CB 3.48Å; H26-I30 WeakPolarHBondContact O-CG1 3.48Å; H26-I30 PolarHBondContact O-N 3.18Å; C27-I30 PolarHBondContact O-N 2.73Å; I30-C32 HydrophobicContact CG2-CB 4.29Å; I30-C32 PolarHBondContact O-N 3.43Å |
| 31 | G | 51.6 | Low | 60.8 | Low | 62 Ų | 62 | 107.9 Ų | 107.9 | 64% | 0.639 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.3 | 1.3 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | C27 A28 V29 E33 | C27-G31 PolarHBondContact O-N 3.39Å; C27-G31 VanDerWaalsContact O-N 3.12Å; A28-G31 PolarHBondContact O-N 3.45Å; V29-G31 VanDerWaalsContact C-N 3.28Å; G31-E33 PolarHBondContact O-N 2.86Å |
| 32 | C | 48.7 | Very low | 59.1 | Low | 77 Ų | 77 | 105.7 Ų | 105.7 | 52% | 0.52 | 57% | 0.569 | S | S | . | * | | | trans | -79.4 | 69.5 | 168.2 | -71.1 | 0 | 0 | 0 | 0 | 110.2 | C27 I30 E34 | C27-C32 CarbonylContact C-O 3.51Å; C27-C32 WeakPolarHBondContact CB-O 3.31Å; C27-C32 CarbonylContact O-C 2.83Å; C27-C32 PolarHBondContact O-N 2.97Å; I30-C32 HydrophobicContact CG2-CB 4.29Å; I30-C32 PolarHBondContact O-N 3.43Å; C32-E34 PolarHBondContact O-N 2.75Å |
| 33 | E | 48 | Very low | 57.8 | Low | 125 Ų | 125 | 106.7 Ų | 106.7 | 58% | 0.584 | 57% | 0.569 | S | S | * | * | | | trans | -55.3 | 111.4 | 148.4 | -91.9 | -96 | 127.5 | 0 | 0 | 106.3 | G31 E35 R36 | G31-E33 PolarHBondContact O-N 2.86Å; E33-E35 PolarHBondContact O-N 2.87Å; E33-R36 VanDerWaalsContact CD-NH1 3.28Å; E33-R36 IonicContact OE1-NH1 3.77Å; E33-R36 PolarHBondContact OE1-NH1 2.95Å; E33-R36 VanDerWaalsContact OE1-NH1 3.07Å; E33-R36 IonicContact OE2-CZ 3.17Å; E33-R36 IonicContact OE2-NH1 2.73Å; E33-R36 PolarHBondContact OE2-NH1 3.04Å |
| 34 | E | 46.7 | Very low | 56.5 | Low | 175 Ų | 175 | 107.3 Ų | 107.3 | 82% | 0.818 | 58% | 0.576 | S | S | * | * | | | trans | -50 | 124.8 | 169 | 179.6 | 176.8 | -173.3 | 0 | 0 | 107.7 | C32 R36 | C32-E34 PolarHBondContact O-N 2.75Å; E34-R36 PolarHBondContact O-N 3.06Å |
| 35 | E | 43.9 | Very low | 54.9 | Low | 162 Ų | 162 | 108.4 Ų | 108.4 | 76% | 0.757 | 58% | 0.582 | S | S | * | * | | | trans | -59.1 | 103.5 | -162.1 | -165.2 | -155.4 | -116.7 | 0 | 0 | 110.5 | E33 S37 | E33-E35 PolarHBondContact O-N 2.87Å; E35-S37 PolarHBondContact O-N 2.94Å; E35-S37 WeakPolarHBondContact OE2-CA 3.26Å |
| 36 | R | 44 | Very low | 53.7 | Low | 178 Ų | 178 | 108.8 Ų | 108.8 | 67% | 0.672 | 58% | 0.575 | S | S | * | * | | | trans | -63 | 88.4 | 163.1 | -80.5 | -176.1 | 166.8 | 108.8 | -4.3 | 106.8 | E33 E34 C38 | E33-R36 VanDerWaalsContact CD-NH1 3.28Å; E33-R36 IonicContact OE1-NH1 3.77Å; E33-R36 PolarHBondContact OE1-NH1 2.95Å; E33-R36 VanDerWaalsContact OE1-NH1 3.07Å; E33-R36 IonicContact OE2-CZ 3.17Å; E33-R36 IonicContact OE2-NH1 2.73Å; E33-R36 PolarHBondContact OE2-NH1 3.04Å; E34-R36 PolarHBondContact O-N 3.06Å; R36-C38 PolarHBondContact O-N 3.07Å |
| 37 | S | 37.2 | Very low | 52.5 | Low | 48 Ų | 48 | 110.3 Ų | 110.3 | 34% | 0.336 | 58% | 0.58 | S | S | . | * | | | trans | -48 | 139.8 | -171.5 | 74.8 | 0 | 0 | 0 | 0 | 110.1 | E35 S39 D40 | E35-S37 PolarHBondContact O-N 2.94Å; E35-S37 WeakPolarHBondContact OE2-CA 3.26Å; S37-S39 PolarHBondContact O-N 2.97Å; S37-S39 PolarHBondContact OG-OG 2.95Å; S37-D40 PolarHBondContact O-N 2.86Å |
| 38 | C | 41 | Very low | 51.7 | Low | 104 Ų | 104 | 111.1 Ų | 111.1 | 70% | 0.703 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -55.1 | -13.7 | -172.7 | -168.8 | 0 | 0 | 0 | 0 | 113.7 | R36 N42 | R36-C38 PolarHBondContact O-N 3.07Å; C38-N42 VanDerWaalsContact O-CB 3.3Å; C38-N42 WeakPolarHBondContact O-CB 3.31Å; C38-N42 PolarHBondContact O-N 3.39Å |
| 39 | S | 42.1 | Very low | 50.6 | Low | 64 Ų | 64 | 116.8 Ų | 116.8 | 45% | 0.448 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -58.7 | -39.7 | 172.2 | 76.3 | 0 | 0 | 0 | 0 | 115 | S37 N42 L43 | S37-S39 PolarHBondContact O-N 2.97Å; S37-S39 PolarHBondContact OG-OG 2.95Å; S39-N42 CarbonylContact O-C 3.54Å; S39-N42 WeakPolarHBondContact O-CB 3.48Å; S39-N42 PolarHBondContact O-N 3.34Å; S39-L43 PolarHBondContact O-N 2.93Å |
| 40 | D | 45.2 | Very low | 49.7 | Very low | 100 Ų | 100 | 116.3 Ų | 116.3 | 54% | 0.535 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -77.8 | -44.5 | -171.1 | -102 | -16.7 | 0 | 0 | 0 | 112.7 | S37 N42 L43 L44 | S37-D40 PolarHBondContact O-N 2.86Å; D40-N42 PolarHBondContact O-N 3.01Å; D40-L43 WeakPolarHBondContact O-CA 3.43Å; D40-L43 VanDerWaalsContact O-CB 3.32Å; D40-L43 WeakPolarHBondContact O-CB 3.32Å; D40-L43 PolarHBondContact O-N 2.82Å; D40-L44 PolarHBondContact O-N 3.22Å |
| 41 | M | 51.1 | Low | 48.3 | Very low | 135 Ų | 135 | 116 Ų | 116 | 67% | 0.665 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -56.2 | -38.9 | 169 | -83.1 | -67.6 | -71.4 | 0 | 0 | 111 | L43 Y45 | M41-L43 VanDerWaalsContact C-N 3.33Å; M41-Y45 WeakPolarHBondContact O-CB 3.4Å; M41-Y45 PolarHBondContact O-N 3.44Å; M41-Y45 VanDerWaalsContact O-N 3.07Å |
| 42 | N | 52 | Low | 47.7 | Very low | 82 Ų | 82 | 121.5 Ų | 121.5 | 44% | 0.439 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -70.4 | -28.2 | 175.3 | -160.9 | -49.9 | 0 | 0 | 0 | 112.2 | C38 S39 D40 R46 | C38-N42 VanDerWaalsContact O-CB 3.3Å; C38-N42 WeakPolarHBondContact O-CB 3.31Å; C38-N42 PolarHBondContact O-N 3.39Å; S39-N42 CarbonylContact O-C 3.54Å; S39-N42 WeakPolarHBondContact O-CB 3.48Å; S39-N42 PolarHBondContact O-N 3.34Å; D40-N42 PolarHBondContact O-N 3.01Å; N42-R46 VanDerWaalsContact O-CB 3.31Å; N42-R46 WeakPolarHBondContact O-CB 3.33Å; N42-R46 VanDerWaalsContact O-CG 3.26Å; N42-R46 WeakPolarHBondContact O-CG 3.14Å; N42-R46 PolarHBondContact O-N 3.45Å; N42-R46 PolarHBondContact O-NE 2.93Å; N42-R46 PolarHBondContact OD1-NE 2.85Å |
| 43 | L | 59.8 | Low | 47.5 | Very low | 91 Ų | 91 | 127.2 Ų | 127.2 | 48% | 0.476 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -72.1 | -41.2 | 175.3 | -154.2 | 72.4 | 0 | 0 | 0 | 111.6 | S39 D40 M41 R46 K47 | S39-L43 PolarHBondContact O-N 2.93Å; D40-L43 WeakPolarHBondContact O-CA 3.43Å; D40-L43 VanDerWaalsContact O-CB 3.32Å; D40-L43 WeakPolarHBondContact O-CB 3.32Å; D40-L43 PolarHBondContact O-N 2.82Å; M41-L43 VanDerWaalsContact C-N 3.33Å; L43-R46 PolarHBondContact O-N 3.47Å; L43-K47 WeakPolarHBondContact O-CB 3.29Å; L43-K47 PolarHBondContact O-N 3.28Å |
| 44 | L | 55 | Low | 46.8 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 65% | 0.649 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -62.4 | -45.4 | 172.3 | -132.2 | 73 | 0 | 0 | 0 | 111.3 | D40 R46 K47 S48 | D40-L44 PolarHBondContact O-N 3.22Å; L44-R46 PolarHBondContact O-N 3.48Å; L44-K47 PolarHBondContact O-N 2.85Å; L44-S48 PolarHBondContact O-N 3.45Å |
| 45 | Y | 46.6 | Very low | 46.4 | Very low | 174 Ų | 174 | 128.1 Ų | 128.1 | 68% | 0.682 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.9 | -37.9 | 177.5 | -136.3 | -92 | 0 | 0 | 0 | 112.6 | M41 R49 | M41-Y45 WeakPolarHBondContact O-CB 3.4Å; M41-Y45 PolarHBondContact O-N 3.44Å; M41-Y45 VanDerWaalsContact O-N 3.07Å; Y45-R49 WeakPolarHBondContact O-CB 3.31Å; Y45-R49 PolarHBondContact O-N 3.02Å |
| 46 | R | 53.8 | Low | 46.3 | Very low | 125 Ų | 125 | 128.4 Ų | 128.4 | 47% | 0.472 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.9 | -42.3 | 173.6 | -80.3 | 177.6 | -73.9 | 168.8 | -1.3 | 112.4 | N42 L43 L44 R49 L50 | N42-R46 VanDerWaalsContact O-CB 3.31Å; N42-R46 WeakPolarHBondContact O-CB 3.33Å; N42-R46 VanDerWaalsContact O-CG 3.26Å; N42-R46 WeakPolarHBondContact O-CG 3.14Å; N42-R46 PolarHBondContact O-N 3.45Å; N42-R46 PolarHBondContact O-NE 2.93Å; N42-R46 PolarHBondContact OD1-NE 2.85Å; L43-R46 PolarHBondContact O-N 3.47Å; L44-R46 PolarHBondContact O-N 3.48Å; R46-R49 WeakPolarHBondContact O-CB 3.27Å; R46-R49 PolarHBondContact O-N 3.37Å; R46-L50 PolarHBondContact O-N 3.35Å |
| 47 | K | 52.2 | Low | 46 | Very low | 153 Ų | 153 | 128.1 Ų | 128.1 | 67% | 0.665 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -66.9 | -41.8 | 179.6 | -170.6 | 148.4 | 61.8 | 177.4 | 0 | 112 | L43 L44 R49 L50 | L43-K47 WeakPolarHBondContact O-CB 3.29Å; L43-K47 PolarHBondContact O-N 3.28Å; L44-K47 PolarHBondContact O-N 2.85Å; K47-R49 VanDerWaalsContact C-N 3.33Å; K47-R49 PolarHBondContact O-N 3.29Å; K47-L50 PolarHBondContact O-N 2.75Å |
| 48 | S | 52.6 | Low | 45.9 | Very low | 64 Ų | 64 | 134.1 Ų | 134.1 | 45% | 0.448 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -59.9 | -41.3 | 171.6 | -180 | 0 | 0 | 0 | 0 | 112.3 | L44 L50 D51 W52 | L44-S48 PolarHBondContact O-N 3.45Å; S48-L50 PolarHBondContact O-N 3.04Å; S48-D51 PolarHBondContact O-N 2.81Å; S48-W52 PolarHBondContact O-N 2.75Å |
| 49 | R | 46.9 | Very low | 45.9 | Very low | 181 Ų | 181 | 132.7 Ų | 132.7 | 68% | 0.683 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -62.3 | -20.8 | 178.1 | -106 | -169 | 178.6 | -169.2 | 3.5 | 115.5 | Y45 R46 K47 | Y45-R49 WeakPolarHBondContact O-CB 3.31Å; Y45-R49 PolarHBondContact O-N 3.02Å; R46-R49 WeakPolarHBondContact O-CB 3.27Å; R46-R49 PolarHBondContact O-N 3.37Å; K47-R49 VanDerWaalsContact C-N 3.33Å; K47-R49 PolarHBondContact O-N 3.29Å |
| 50 | L | 50 | Low | 45.6 | Very low | 118 Ų | 118 | 134.7 Ų | 134.7 | 62% | 0.618 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -82 | -42.2 | 178.6 | -69.6 | 169.6 | 0 | 0 | 0 | 111.3 | R46 K47 S48 W52 R53 Q54 | R46-L50 PolarHBondContact O-N 3.35Å; K47-L50 PolarHBondContact O-N 2.75Å; S48-L50 PolarHBondContact O-N 3.04Å; L50-W52 VanDerWaalsContact C-N 3.33Å; L50-W52 PolarHBondContact O-N 3.06Å; L50-R53 WeakPolarHBondContact O-CB 3.47Å; L50-R53 PolarHBondContact O-N 2.96Å; L50-Q54 PolarHBondContact O-N 3.07Å; L50-Q54 VanDerWaalsContact O-N 3.14Å |
| 51 | D | 46.6 | Very low | 45.7 | Very low | 94 Ų | 94 | 139.5 Ų | 139.5 | 50% | 0.503 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -57.2 | -45.1 | 176.6 | -170 | 71.8 | 0 | 0 | 0 | 111.9 | S48 R53 Q54 R55 | S48-D51 PolarHBondContact O-N 2.81Å; D51-R53 PolarHBondContact O-N 2.68Å; D51-R53 VanDerWaalsContact O-N 3.14Å; D51-Q54 PolarHBondContact O-N 3.03Å; D51-Q54 VanDerWaalsContact O-N 3.09Å; D51-R55 PolarHBondContact O-N 3.31Å |
| 52 | W | 37.5 | Very low | 44.9 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 67% | 0.67 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -58.1 | -25.8 | 173.6 | -76.5 | 111 | 0 | 0 | 0 | 114.5 | S48 L50 | S48-W52 PolarHBondContact O-N 2.75Å; L50-W52 VanDerWaalsContact C-N 3.33Å; L50-W52 PolarHBondContact O-N 3.06Å |
| 53 | R | 44.3 | Very low | 44 | Very low | 197 Ų | 197 | 144.3 Ų | 144.3 | 74% | 0.743 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -87.5 | -26.7 | 176.7 | -73.1 | -169.4 | 167.8 | -73.8 | 2.2 | 113.3 | L50 D51 | L50-R53 WeakPolarHBondContact O-CB 3.47Å; L50-R53 PolarHBondContact O-N 2.96Å; D51-R53 PolarHBondContact O-N 2.68Å; D51-R53 VanDerWaalsContact O-N 3.14Å |
| 54 | Q | 34.7 | Very low | 42.4 | Very low | 139 Ų | 139 | 145.8 Ų | 145.8 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -71.6 | -41.6 | 178.8 | -170.2 | 164.2 | -13.1 | 0 | 0 | 110.8 | L50 D51 E56 Q57 | L50-Q54 PolarHBondContact O-N 3.07Å; L50-Q54 VanDerWaalsContact O-N 3.14Å; D51-Q54 PolarHBondContact O-N 3.03Å; D51-Q54 VanDerWaalsContact O-N 3.09Å; Q54-E56 VanDerWaalsContact C-N 3.29Å; Q54-E56 PolarHBondContact O-N 3.21Å; Q54-Q57 PolarHBondContact O-N 2.88Å; Q54-Q57 VanDerWaalsContact O-N 3.15Å |
| 55 | R | 37.4 | Very low | 41.1 | Very low | 180 Ų | 180 | 145.5 Ų | 145.5 | 68% | 0.679 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -61.2 | -28.4 | 179.7 | -173.3 | 170.7 | -65.8 | -79.4 | -3.2 | 114.9 | D51 | D51-R55 PolarHBondContact O-N 3.31Å |
| 56 | E | 41.4 | Very low | 40.5 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 79% | 0.79 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -77.5 | -23 | 177.4 | -71.9 | -128.4 | 122.9 | 0 | 0 | 113.6 | Q54 | Q54-E56 VanDerWaalsContact C-N 3.29Å; Q54-E56 PolarHBondContact O-N 3.21Å |
| 57 | Q | 39.2 | Very low | 39.5 | Very low | 171 Ų | 171 | 147.3 Ų | 147.3 | 80% | 0.799 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -84.3 | -21.8 | -169.7 | -156 | 175.5 | 110.9 | 0 | 0 | 114 | Q54 G59 | Q54-Q57 PolarHBondContact O-N 2.88Å; Q54-Q57 VanDerWaalsContact O-N 3.15Å; Q57-G59 VanDerWaalsContact C-N 3.35Å |
| 58 | E | 34.8 | Very low | 38.5 | Very low | 175 Ų | 175 | 147.1 Ų | 147.1 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -19.1 | 175.3 | -66.6 | -170.4 | 127.2 | 0 | 0 | 113.3 | S60 | E58-S60 VanDerWaalsContact C-N 3.32Å; E58-S60 PolarHBondContact O-N 3.36Å |
| 59 | G | 40.6 | Very low | 38.2 | Very low | 73 Ų | 73 | 149.7 Ų | 149.7 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -5.9 | -169.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | Q57 | Q57-G59 VanDerWaalsContact C-N 3.35Š|
| 60 | S | 36.7 | Very low | 37.4 | Very low | 107 Ų | 107 | 147 Ų | 147 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | -127.2 | 55.4 | -164 | -158.9 | 0 | 0 | 0 | 0 | 114.7 | E58 | E58-S60 VanDerWaalsContact C-N 3.32Å; E58-S60 PolarHBondContact O-N 3.36Å |
| 61 | K | 45.5 | Very low | 36.6 | Very low | 201 Ų | 201 | 145 Ų | 145 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | | | trans | -145.9 | 67.1 | 170.8 | -71.1 | -168.2 | 179.7 | 176 | 0 | 114.3 | | |
| 62 | K | 35.8 | Very low | 36 | Very low | 203 Ų | 203 | 146.8 Ų | 146.8 | 88% | 0.883 | 78% | 0.782 | S | S | * | * | | | trans | -157.1 | 150.6 | 155.2 | -133 | 169 | -176.4 | 176.5 | 0 | 115 | | |
| 63 | S | 32.2 | Very low | 35.7 | Very low | 115 Ų | 115 | 145.5 Ų | 145.5 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | | | trans | 52.6 | 104.3 | 162.5 | 55 | 0 | 0 | 0 | 0 | 119.5 | | |
| 64 | S | 25.7 | Very low | 35.3 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | -152.4 | 111.4 | 142.2 | -177.1 | 0 | 0 | 0 | 0 | 109.8 | | |
| 65 | S | 28.8 | Very low | 35.4 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | | | trans | 178.2 | 98 | 162.4 | 48.7 | 0 | 0 | 0 | 0 | 110.5 | | |
| 66 | Q | 33.7 | Very low | 35.3 | Very low | 190 Ų | 190 | 139.9 Ų | 139.9 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | -149.5 | 139.3 | 158.8 | -172.8 | 169.6 | -6.8 | 0 | 0 | 107.2 | | |
| 67 | N | 32.6 | Very low | 34.9 | Very low | 146 Ų | 146 | 141.9 Ų | 141.9 | 78% | 0.781 | 81% | 0.808 | S | S | * | * | | | trans | -99.2 | 136.6 | -166.3 | -49.7 | -58.3 | 0 | 0 | 0 | 112.3 | | |
| 68 | D | 30.7 | Very low | 34.8 | Very low | 149 Ų | 149 | 139.4 Ų | 139.4 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | | | | 38.2 | 156.8 | 128.1 | -71.1 | -15.9 | 0 | 0 | 0 | 123.1 | | |
| 69 | P | 47.7 | Very low | 35 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 80% | 0.804 | S | S | * | * | | | cis | -138.5 | -176.2 | -15.3 | 32.8 | -11.7 | 0 | 0 | 0 | 115.7 | | |
| 70 | S | 29.3 | Very low | 34.8 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | | | trans | 113.4 | 163.1 | 150.2 | -154.2 | 0 | 0 | 0 | 0 | 118.2 | | |
| 71 | A | 33.6 | Very low | 35.1 | Very low | 78 Ų | 78 | 139 Ų | 139 | 65% | 0.645 | 80% | 0.797 | S | S | * | * | | | trans | 71.4 | 79 | 176.4 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 72 | T | 33.1 | Very low | 34.8 | Very low | 130 Ų | 130 | 137.9 Ų | 137.9 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | | | trans | 56 | 117.4 | 130.5 | 54.4 | 0 | 0 | 0 | 0 | 123.2 | | |
| 73 | V | 32.7 | Very low | 35.2 | Very low | 151 Ų | 151 | 138.6 Ų | 138.6 | 92% | 0.915 | 79% | 0.79 | S | S | * | * | | | trans | 70.8 | 134.1 | 140.5 | -177.7 | 0 | 0 | 0 | 0 | 119.4 | | |
| 74 | G | 34.4 | Very low | 36.1 | Very low | 72 Ų | 72 | 144.5 Ų | 144.5 | 74% | 0.742 | 79% | 0.794 | S | S | * | * | | | trans | 120.3 | 59.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 75 | K | 36.7 | Very low | 36.9 | Very low | 206 Ų | 206 | 144.3 Ų | 144.3 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | | | trans | -59.4 | 149.7 | 159.5 | -85.3 | 177 | -174.4 | 173.2 | 0 | 110.7 | | |
| 76 | V | 36.9 | Very low | 37.4 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | | | cis | -168 | 152.3 | 0.5 | 82.7 | 0 | 0 | 0 | 0 | 111.2 | | |
| 77 | R | 32.1 | Very low | 37.9 | Very low | 211 Ų | 211 | 149.7 Ų | 149.7 | 80% | 0.796 | 78% | 0.779 | S | S | * | * | | | trans | 63.9 | 150.2 | 145.2 | -150.8 | 161.1 | -169.4 | 133.4 | 6.9 | 118.9 | | |
| 78 | D | 38.2 | Very low | 38.5 | Very low | 120 Ų | 120 | 150.5 Ų | 150.5 | 64% | 0.642 | 78% | 0.78 | S | S | * | * | | | cis | -137.9 | 157.2 | 12.9 | -142.5 | -23.5 | 0 | 0 | 0 | 113.4 | | |
| 79 | L | 37.8 | Very low | 39.1 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | | | trans | -111 | 83.2 | 178.1 | -178.4 | 62.7 | 0 | 0 | 0 | 110.6 | | |
| 80 | A | 37.6 | Very low | 38.7 | Very low | 94 Ų | 94 | 149 Ų | 149 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | | | trans | -141.1 | 54.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 81 | S | 41.8 | Very low | 39.1 | Very low | 83 Ų | 83 | 151.3 Ų | 151.3 | 58% | 0.58 | 77% | 0.767 | S | S | * | * | | | trans | -127.2 | 143.5 | 167.7 | -167.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 82 | F | 39.8 | Very low | 39.8 | Very low | 178 Ų | 178 | 153.1 Ų | 153.1 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | | | trans | 60.5 | 114.6 | -170.4 | -44.5 | -78.2 | 0 | 0 | 0 | 111.9 | | |
| 83 | R | 43.2 | Very low | 40.7 | Very low | 218 Ų | 218 | 154.2 Ų | 154.2 | 82% | 0.823 | 77% | 0.768 | S | S | * | * | | | | -139.4 | 91.8 | 64 | -78.6 | 179.4 | 156.4 | -123.3 | -6.1 | 113.2 | H85 | R83-H85 WeakPolarHBondContact CB-ND1 3.34Å; R83-H85 PolarHBondContact O-N 3.21Å |
| 84 | R | 52.4 | Low | 41.3 | Very low | 239 Ų | 239 | 152.1 Ų | 152.1 | 90% | 0.902 | 76% | 0.758 | S | S | * | * | | | trans | -74.4 | 108.2 | 154.5 | -83.9 | -175.6 | -82 | 145.9 | -7 | 108.2 | | |
| 85 | H | 42.1 | Very low | 41.3 | Very low | 116 Ų | 116 | 153.2 Ų | 153.2 | 54% | 0.537 | 76% | 0.76 | S | S | . | * | | | trans | -134.4 | 128.3 | 175.7 | -75.7 | 85.8 | 0 | 0 | 0 | 111.3 | R83 | R83-H85 WeakPolarHBondContact CB-ND1 3.34Å; R83-H85 PolarHBondContact O-N 3.21Å |
| 86 | F | 39.3 | Very low | 41.3 | Very low | 180 Ų | 180 | 148.6 Ų | 148.6 | 79% | 0.789 | 75% | 0.753 | S | S | * | * | | | trans | 39 | 86.1 | 164.7 | -57.7 | -72.2 | 0 | 0 | 0 | 118.3 | M88 | F86-M88 VanDerWaalsContact C-N 3.26Å; F86-M88 PolarHBondContact O-N 2.9Å |
| 87 | R | 43.2 | Very low | 41.7 | Very low | 243 Ų | 243 | 152.3 Ų | 152.3 | 92% | 0.917 | 76% | 0.763 | S | S | * | * | | | trans | -64.8 | 91.3 | 146.1 | 172.4 | -177.1 | 153.7 | -129.4 | -3.4 | 107.8 | G89 | R87-G89 PolarHBondContact O-N 2.8Š|
| 88 | M | 46.3 | Very low | 41.7 | Very low | 163 Ų | 163 | 149.2 Ų | 149.2 | 80% | 0.803 | 76% | 0.762 | S | S | * | * | | | trans | -61.1 | 128.8 | 165.3 | -160.9 | 65.2 | 73.6 | 0 | 0 | 107.9 | F86 F90 | F86-M88 VanDerWaalsContact C-N 3.26Å; F86-M88 PolarHBondContact O-N 2.9Å; M88-F90 PolarHBondContact O-N 3.4Å |
| 89 | G | 43.5 | Very low | 41.7 | Very low | 48 Ų | 48 | 151.7 Ų | 151.7 | 50% | 0.495 | 78% | 0.775 | S | S | . | * | | | trans | -68.9 | 122.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | R87 M91 | R87-G89 PolarHBondContact O-N 2.8Å; G89-M91 PolarHBondContact O-N 2.77Å |
| 90 | F | 38.5 | Very low | 41.4 | Very low | 188 Ų | 188 | 149.1 Ų | 149.1 | 83% | 0.825 | 77% | 0.771 | S | S | * | * | | | trans | -66.8 | 104.2 | 167.7 | -172.2 | -88.8 | 0 | 0 | 0 | 108.1 | M88 T92 | M88-F90 PolarHBondContact O-N 3.4Å; F90-T92 PolarHBondContact O-N 2.84Å |
| 91 | M | 38 | Very low | 42 | Very low | 171 Ų | 171 | 149.4 Ų | 149.4 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | | | trans | -75.2 | 94.9 | 175.3 | -67.1 | -143.1 | 73 | 0 | 0 | 109 | G89 M93 | G89-M91 PolarHBondContact O-N 2.77Å; M91-M93 PolarHBondContact O-N 3.37Å |
| 92 | T | 48.7 | Very low | 41.6 | Very low | 116 Ų | 116 | 154.6 Ų | 154.6 | 71% | 0.712 | 78% | 0.779 | S | S | * | * | | | trans | -64.9 | 100.8 | 172.3 | -53.1 | 0 | 0 | 0 | 0 | 109.2 | F90 | F90-T92 PolarHBondContact O-N 2.84Š|
| 93 | M | 51.6 | Low | 41.5 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 136.7 | 170.4 | -71 | -66.4 | -72 | 0 | 0 | 110.2 | M91 A95 | M91-M93 PolarHBondContact O-N 3.37Å; M93-A95 PolarHBondContact O-N 2.74Å |
| 94 | P | 45.3 | Very low | 41 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 69% | 0.688 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 124.8 | 165.6 | -18.6 | 31.7 | 0 | 0 | 0 | 109.1 | | |
| 95 | A | 33.4 | Very low | 40.1 | Very low | 95 Ų | 95 | 140.6 Ų | 140.6 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 136.5 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | M93 Q97 | M93-A95 PolarHBondContact O-N 2.74Å; A95-Q97 PolarHBondContact O-N 2.8Å |
| 96 | S | 37.9 | Very low | 39.4 | Very low | 109 Ų | 109 | 140.6 Ų | 140.6 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | | | trans | -62.7 | 115.1 | 177.5 | -42.9 | 0 | 0 | 0 | 0 | 110.8 | D98 | S96-D98 PolarHBondContact O-N 2.66Š|
| 97 | Q | 44.8 | Very low | 39.2 | Very low | 197 Ų | 197 | 136.1 Ų | 136.1 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | | | trans | -90.6 | 84.5 | 161.1 | -76.9 | -170.2 | -34.3 | 0 | 0 | 108.9 | A95 | A95-Q97 PolarHBondContact O-N 2.8Š|
| 98 | D | 31.9 | Very low | 39.1 | Very low | 147 Ų | 147 | 133.1 Ų | 133.1 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | | | trans | -100.3 | 108.4 | 164.9 | -85.6 | -55.8 | 0 | 0 | 0 | 110.1 | S96 | S96-D98 PolarHBondContact O-N 2.66Š|
| 99 | L | 37.4 | Very low | 38.4 | Very low | 172 Ų | 172 | 130.2 Ų | 130.2 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | | | trans | -115.2 | 108.6 | 159.5 | -74.3 | 175 | 0 | 0 | 0 | 107.2 | | |
| 100 | S | 33 | Very low | 38.3 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -69.1 | 145.8 | 171.8 | -166.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 101 | P | 49.3 | Very low | 38.3 | Very low | 99 Ų | 99 | 135.9 Ų | 135.9 | 64% | 0.643 | 80% | 0.799 | S | S | * | * | | | trans | -88.9 | 158.7 | -163.1 | 34.7 | -36.4 | 0 | 0 | 0 | 114.8 | | |
| 102 | H | 34.8 | Very low | 38.2 | Very low | 192 Ų | 192 | 133.3 Ų | 133.3 | 89% | 0.889 | 80% | 0.797 | S | S | * | * | | | trans | -115 | 142.1 | 152 | -68.8 | -23.2 | 0 | 0 | 0 | 109 | | |
| 103 | T | 35.8 | Very low | 37.7 | Very low | 130 Ų | 130 | 136.7 Ų | 136.7 | 80% | 0.798 | 81% | 0.805 | S | S | * | * | | | trans | -86.4 | 158.6 | -162.8 | -49 | 0 | 0 | 0 | 0 | 112.9 | | |
| 104 | C | 34 | Very low | 36.8 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -40.8 | 162.6 | 178 | -46.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 105 | A | 32.4 | Very low | 36.4 | Very low | 92 Ų | 92 | 135.1 Ų | 135.1 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | | | cis | -162.7 | 179.2 | 28.6 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 106 | S | 29.1 | Very low | 36.7 | Very low | 116 Ų | 116 | 140 Ų | 140 | 81% | 0.811 | 82% | 0.817 | S | S | * | * | | | trans | 93.5 | 122.5 | 149.8 | -147.5 | 0 | 0 | 0 | 0 | 120.7 | | |
| 107 | A | 34.8 | Very low | 36.6 | Very low | 86 Ų | 86 | 138.7 Ų | 138.7 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | | | trans | 44.6 | 126.1 | 141.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | | |
| 108 | M | 39.3 | Very low | 36 | Very low | 181 Ų | 181 | 136.6 Ų | 136.6 | 89% | 0.892 | 81% | 0.813 | S | S | * | * | | | trans | 38.9 | 92.5 | 134.8 | -64.5 | -64.2 | 177.9 | 0 | 0 | 118.1 | P110 | M108-P110 VanDerWaalsContact O-CD 3.3Å; M108-P110 WeakPolarHBondContact O-CD 3.3Å |
| 109 | A | 33.3 | Very low | 36 | Very low | 102 Ų | 102 | 133.7 Ų | 133.7 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 116.5 | 159.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 110 | P | 39.8 | Very low | 36 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 146.3 | 176.6 | 29.6 | -34.4 | 0 | 0 | 0 | 110.8 | M108 S112 | M108-P110 VanDerWaalsContact O-CD 3.3Å; M108-P110 WeakPolarHBondContact O-CD 3.3Å; P110-S112 PolarHBondContact O-N 2.66Å |
| 111 | R | 39.1 | Very low | 36 | Very low | 237 Ų | 237 | 129.1 Ų | 129.1 | 89% | 0.894 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 119.4 | 164.1 | -87.7 | 177.3 | 150.5 | 82.2 | -4.2 | 108.2 | Q113 | R111-Q113 PolarHBondContact O-N 3.18Š|
| 112 | S | 36.6 | Very low | 35.4 | Very low | 117 Ų | 117 | 132 Ų | 132 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | | | trans | -63.6 | 101.9 | 176.8 | 55.8 | 0 | 0 | 0 | 0 | 110.8 | P110 | P110-S112 PolarHBondContact O-N 2.66Š|
| 113 | Q | 36.8 | Very low | 35.6 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 87% | 0.869 | 83% | 0.829 | S | S | * | * | | | trans | -72 | 141 | 158.1 | -64.1 | -170 | 6.9 | 0 | 0 | 108.5 | R111 | R111-Q113 PolarHBondContact O-N 3.18Š|
| 114 | S | 33.5 | Very low | 35.5 | Very low | 125 Ų | 125 | 130.2 Ų | 130.2 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | | | trans | -138.7 | 143.8 | 169.3 | -173.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 115 | C | 37.6 | Very low | 35.7 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 70% | 0.696 | 82% | 0.823 | S | S | * | * | | | trans | -112.7 | 143.6 | -136.9 | -53.3 | 0 | 0 | 0 | 0 | 114.8 | | |
| 116 | H | 38.8 | Very low | 35.8 | Very low | 196 Ų | 196 | 134 Ų | 134 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | | | trans | -136 | 140.5 | 153.3 | -57.4 | -30.9 | 0 | 0 | 0 | 108.5 | | |
| 117 | A | 36.2 | Very low | 36.2 | Very low | 83 Ų | 83 | 135.4 Ų | 135.4 | 69% | 0.686 | 82% | 0.819 | S | S | * | * | | | cis | -161.1 | 145 | -29.5 | 0 | 0 | 0 | 0 | 0 | 107.5 | | |
| 118 | V | 33.4 | Very low | 36.1 | Very low | 153 Ų | 153 | 135 Ų | 135 | 93% | 0.927 | 82% | 0.823 | S | S | * | * | | | trans | 33.5 | 125.5 | 164.1 | -66.1 | 0 | 0 | 0 | 0 | 120.8 | | |
| 119 | G | 31.6 | Very low | 36 | Very low | 85 Ų | 85 | 134 Ų | 134 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | | | trans | -170.2 | 97.9 | 164.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 120 | A | 36.9 | Very low | 35.9 | Very low | 112 Ų | 112 | 140.2 Ų | 140.2 | 93% | 0.926 | 82% | 0.824 | S | S | * | * | | | trans | -115.9 | 142.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 121 | G | 33.8 | Very low | 35.7 | Very low | 79 Ų | 79 | 139.8 Ų | 139.8 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | | | trans | 178.7 | 133.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 122 | D | 35.9 | Very low | 35.3 | Very low | 161 Ų | 161 | 135.2 Ų | 135.2 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | | | trans | -97.7 | -161.1 | 176.6 | 59.3 | 49.3 | 0 | 0 | 0 | 111.2 | | |
| 123 | M | 38.9 | Very low | 35.2 | Very low | 177 Ų | 177 | 135.1 Ų | 135.1 | 87% | 0.872 | 81% | 0.812 | S | S | * | * | | | trans | -115.1 | 124.3 | -174.2 | -62.5 | 160.3 | 49.3 | 0 | 0 | 110.1 | | |
| 124 | S | 33.9 | Very low | 35 | Very low | 106 Ų | 106 | 135 Ų | 135 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | | | | -179.3 | 166.4 | 127.1 | -143.2 | 0 | 0 | 0 | 0 | 114 | | |
| 125 | L | 38.6 | Very low | 35 | Very low | 139 Ų | 139 | 133.9 Ų | 133.9 | 73% | 0.728 | 80% | 0.804 | S | S | * | * | | | trans | 62.4 | 108 | 152.5 | -71.8 | 156 | 0 | 0 | 0 | 120.5 | | |
| 126 | E | 34.8 | Very low | 34.8 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | | | | 74.5 | 125.1 | 110.4 | -160.9 | 176.3 | 164.2 | 0 | 0 | 122.1 | | |
| 127 | N | 36.8 | Very low | 34.4 | Very low | 147 Ų | 147 | 136.4 Ų | 136.4 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | | | trans | 36.3 | 123.3 | 152.1 | -57.4 | -33.2 | 0 | 0 | 0 | 121.3 | | |
| 128 | G | 32.6 | Very low | 34.2 | Very low | 77 Ų | 77 | 135.2 Ų | 135.2 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | | | trans | 163.4 | 119.1 | 156.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 129 | D | 38.1 | Very low | 34.3 | Very low | 160 Ų | 160 | 131.5 Ų | 131.5 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | | | trans | -65.5 | 141.8 | 171.7 | -60.4 | -85.7 | 0 | 0 | 0 | 111.9 | | |
| 130 | Y | 31.1 | Very low | 34.7 | Very low | 232 Ų | 232 | 139.3 Ų | 139.3 | 91% | 0.91 | 80% | 0.797 | S | S | * | * | | | | -173.9 | 150.2 | 122.7 | -119.3 | -100.6 | 0 | 0 | 0 | 110.5 | | |
| 131 | S | 35.5 | Very low | 35.3 | Very low | 109 Ų | 109 | 139.3 Ų | 139.3 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -112.1 | 138.5 | -175.8 | -57 | 0 | 0 | 0 | 0 | 112.3 | | |
| 132 | D | 29.4 | Very low | 36.1 | Very low | 142 Ų | 142 | 141.1 Ų | 141.1 | 76% | 0.759 | 79% | 0.786 | S | S | * | * | | | | 154.3 | 149.8 | 94 | -161.5 | 14.4 | 0 | 0 | 0 | 113.9 | | |
| 133 | T | 36 | Very low | 36.8 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | | | trans | 69.6 | 150.1 | 167.6 | 73.9 | 0 | 0 | 0 | 0 | 121.1 | | |
| 134 | Q | 31.7 | Very low | 37.2 | Very low | 184 Ų | 184 | 135.7 Ų | 135.7 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | | | trans | 70.5 | 93.3 | 156.6 | -162.9 | 178.2 | 29.4 | 0 | 0 | 119.8 | | |
| 135 | S | 32.9 | Very low | 37.9 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 71% | 0.713 | 79% | 0.787 | S | S | * | * | | | | 177.5 | 131.8 | 121.8 | 43 | 0 | 0 | 0 | 0 | 116.4 | | |
| 136 | Q | 34.2 | Very low | 38.8 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | | | trans | 62.8 | 164.8 | 152.5 | -57.9 | -50.7 | -35.6 | 0 | 0 | 117.2 | | |
| 137 | H | 31.1 | Very low | 39.8 | Very low | 190 Ų | 190 | 141.8 Ų | 141.8 | 88% | 0.88 | 80% | 0.799 | S | S | * | * | | | cis | -131.8 | 154.6 | 18.6 | -55.2 | -98.5 | 0 | 0 | 0 | 114.4 | | |
| 138 | G | 31.1 | Very low | 40.5 | Very low | 58 Ų | 58 | 145 Ų | 145 | 60% | 0.598 | 80% | 0.8 | S | S | * | * | | | trans | -162.7 | 108.1 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R140 | G138-R140 PolarHBondContact O-N 2.94Š|
| 139 | G | 35.2 | Very low | 41 | Very low | 76 Ų | 76 | 147.7 Ų | 147.7 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | -65.8 | 124.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C141 | G139-C141 PolarHBondContact O-N 2.67Å; G139-C141 VanDerWaalsContact O-N 3.16Å |
| 140 | R | 41 | Very low | 41.7 | Very low | 249 Ų | 249 | 146.3 Ų | 146.3 | 94% | 0.94 | 79% | 0.791 | S | S | * | * | | | trans | -74.6 | 108.2 | -175.3 | -68.7 | -175.8 | -178.5 | -97.2 | -0.1 | 111.5 | G138 | G138-R140 PolarHBondContact O-N 2.94Š|
| 141 | C | 48.4 | Very low | 42.2 | Very low | 112 Ų | 112 | 139.4 Ų | 139.4 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 158.5 | 170.2 | -69.5 | 0 | 0 | 0 | 0 | 112.1 | G139 | G139-C141 PolarHBondContact O-N 2.67Å; G139-C141 VanDerWaalsContact O-N 3.16Å |
| 142 | P | 51.9 | Low | 42.5 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60 | 148.1 | 169 | 27.5 | -35.5 | 0 | 0 | 0 | 110.9 | A144 | P142-A144 PolarHBondContact O-N 2.88Š|
| 143 | P | 49.5 | Very low | 43.1 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 127.6 | -176.9 | 25.7 | -34.1 | 0 | 0 | 0 | 111.4 | | |
| 144 | A | 46.7 | Very low | 43 | Very low | 93 Ų | 93 | 146 Ų | 146 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 146.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | P142 | P142-A144 PolarHBondContact O-N 2.88Š|
| 145 | K | 49.4 | Very low | 43.1 | Very low | 198 Ų | 198 | 142 Ų | 142 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -60 | 133.5 | 174.1 | -66.1 | 170.6 | -177.2 | 168 | 0 | 109.3 | K147 | K145-K147 PolarHBondContact O-N 3.06Š|
| 146 | P | 57.3 | Low | 42.9 | Very low | 127 Ų | 127 | 142.6 Ų | 142.6 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 122.5 | -178.5 | 23.2 | -33 | 0 | 0 | 0 | 110.9 | R148 | P146-R148 PolarHBondContact O-N 3.33Š|
| 147 | K | 55 | Low | 42.8 | Very low | 199 Ų | 199 | 140.1 Ų | 140.1 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | | | trans | -73.7 | 108.5 | -174.9 | -165.6 | 170.6 | -175.8 | 175.7 | 0 | 109.4 | K145 H149 | K145-K147 PolarHBondContact O-N 3.06Å; K147-H149 PolarHBondContact O-N 3.41Å |
| 148 | R | 51.6 | Low | 42.8 | Very low | 215 Ų | 215 | 136.4 Ų | 136.4 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | trans | -58.3 | 122.6 | 174.3 | -93.6 | -174.5 | 168.8 | -123.7 | 2.5 | 109.8 | P146 | P146-R148 PolarHBondContact O-N 3.33Š|
| 149 | H | 44.9 | Very low | 42.8 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 62% | 0.616 | 79% | 0.787 | S | S | * | * | | | trans | -67.8 | 143.7 | 170.4 | -109.7 | -107.1 | 0 | 0 | 0 | 110.8 | K147 S151 | K147-H149 PolarHBondContact O-N 3.41Å; H149-S151 PolarHBondContact O-N 2.77Å; H149-S151 VanDerWaalsContact O-N 3.14Å |
| 150 | P | 52.1 | Low | 42.7 | Very low | 131 Ų | 131 | 141.5 Ų | 141.5 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -1.1 | 178.9 | 30.6 | -36 | 0 | 0 | 0 | 113.8 | | |
| 151 | S | 41.9 | Very low | 42.3 | Very low | 86 Ų | 86 | 135 Ų | 135 | 60% | 0.601 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | 10.5 | -175.7 | 50.5 | 0 | 0 | 0 | 0 | 115 | H149 R153 | H149-S151 PolarHBondContact O-N 2.77Å; H149-S151 VanDerWaalsContact O-N 3.14Å; S151-R153 PolarHBondContact O-N 3.23Å |
| 152 | T | 41.7 | Very low | 41.8 | Very low | 102 Ų | 102 | 141 Ų | 141 | 63% | 0.626 | 79% | 0.787 | S | S | * | * | | | trans | -76.1 | 59.4 | 173.2 | 54.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 153 | R | 40.6 | Very low | 40.8 | Very low | 219 Ų | 219 | 139 Ų | 139 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | trans | -85.9 | 115.6 | 159.7 | -87.5 | -175.5 | 162.4 | -124.2 | -0.4 | 108.5 | S151 S155 | S151-R153 PolarHBondContact O-N 3.23Å; R153-S155 PolarHBondContact O-N 3.41Å |
| 154 | L | 34.5 | Very low | 41 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 96% | 0.958 | 79% | 0.785 | S | S | * | * | | | trans | -74.8 | 118.1 | 163.5 | -67.2 | 172.9 | 0 | 0 | 0 | 108.2 | | |
| 155 | S | 34.3 | Very low | 41.5 | Very low | 99 Ų | 99 | 139.7 Ų | 139.7 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | | | trans | -145.9 | 112.9 | 173.4 | -74 | 0 | 0 | 0 | 0 | 108.5 | R153 | R153-S155 PolarHBondContact O-N 3.41Š|
| 156 | S | 29.1 | Very low | 40.5 | Very low | 116 Ų | 116 | 139 Ų | 139 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | | | trans | -84.6 | 136.5 | 173.1 | -50.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 157 | S | 31.1 | Very low | 39.2 | Very low | 108 Ų | 108 | 139 Ų | 139 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | | | trans | 24.3 | 138.6 | 145.2 | 58.8 | 0 | 0 | 0 | 0 | 120.6 | | |
| 158 | S | 31.7 | Very low | 39.1 | Very low | 113 Ų | 113 | 135 Ų | 135 | 79% | 0.79 | 78% | 0.775 | S | S | * | * | | | cis | -180 | -171 | -2.6 | 48.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 159 | A | 31.4 | Very low | 39.3 | Very low | 93 Ų | 93 | 130 Ų | 130 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | 77.9 | 104.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 160 | D | 32.6 | Very low | 39.6 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | trans | -68.3 | 160.8 | 158.3 | -174.9 | 15.8 | 0 | 0 | 0 | 110.2 | | |
| 161 | S | 32.2 | Very low | 38.5 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 80% | 0.797 | 77% | 0.771 | S | S | * | * | | | trans | -158.2 | 122.7 | 174 | -76.8 | 0 | 0 | 0 | 0 | 111.8 | | |
| 162 | R | 37.3 | Very low | 37.8 | Very low | 238 Ų | 238 | 129.1 Ų | 129.1 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | | | trans | -95.6 | 136.5 | -178.7 | -57.9 | -168.1 | -61.8 | 168.5 | -0.8 | 112.1 | | |
| 163 | G | 31.4 | Very low | 37.3 | Very low | 73 Ų | 73 | 129.5 Ų | 129.5 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | | | trans | 90.2 | 132.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 164 | P | 54.8 | Low | 36.7 | Very low | 126 Ų | 126 | 125 Ų | 125 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -97 | -168.6 | 161.2 | 43.2 | -35.9 | 0 | 0 | 0 | 109.9 | | |
| 165 | P | 57.4 | Low | 36.6 | Very low | 113 Ų | 113 | 125.4 Ų | 125.4 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | | | cis | -128.7 | 179 | -6.8 | 40.1 | -23.4 | 0 | 0 | 0 | 114.6 | | |
| 166 | E | 27.2 | Very low | 36.4 | Very low | 184 Ų | 184 | 126.2 Ų | 126.2 | 86% | 0.86 | 79% | 0.791 | S | S | * | * | | | | 163.8 | 166.3 | 125.1 | -84 | -146.6 | 120.8 | 0 | 0 | 113.2 | | |
| 167 | T | 30.8 | Very low | 36.6 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | | | trans | -148.5 | -178.6 | -173.4 | 55.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 168 | P | 53.5 | Low | 36.5 | Very low | 114 Ų | 114 | 127.9 Ų | 127.9 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | | | cis | -123.1 | -120.5 | -24.5 | 35.2 | -14.3 | 0 | 0 | 0 | 109.9 | | |
| 169 | P | 55.3 | Low | 36.8 | Very low | 110 Ų | 110 | 131.8 Ų | 131.8 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | | | | -116.8 | -146.7 | -60.6 | 38.4 | -19.6 | 0 | 0 | 0 | 111.7 | | |
| 170 | P | 50.8 | Low | 36.9 | Very low | 106 Ų | 106 | 136.3 Ų | 136.3 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | | | | -126.3 | -173.1 | -52.2 | 28.8 | -7.4 | 0 | 0 | 0 | 115.5 | | |
| 171 | S | 28.6 | Very low | 36.9 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 79% | 0.79 | 80% | 0.802 | S | S | * | * | | | trans | 73.2 | 156.6 | 149.2 | 81.4 | 0 | 0 | 0 | 0 | 120.6 | | |
| 172 | S | 27.8 | Very low | 36.8 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | | | cis | -161 | 172.8 | -22.2 | 43.7 | 0 | 0 | 0 | 0 | 113.4 | | |
| 173 | S | 30.1 | Very low | 36.9 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | | | trans | -59.2 | 159.2 | -175.4 | 54.5 | 0 | 0 | 0 | 0 | 121.2 | | |
| 174 | S | 29 | Very low | 37.4 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | | | trans | -167.7 | 168.1 | 135.7 | 49.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 175 | H | 31.4 | Very low | 36.2 | Very low | 192 Ų | 192 | 139.4 Ų | 139.4 | 89% | 0.889 | 79% | 0.79 | S | S | * | * | | | trans | -76.2 | -179.9 | -176 | -65.5 | -89 | 0 | 0 | 0 | 114 | | |
| 176 | S | 31.6 | Very low | 35 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | cis | -156.2 | -159.8 | 24.9 | 65.5 | 0 | 0 | 0 | 0 | 114.1 | | |
| 177 | Q | 32.1 | Very low | 35.2 | Very low | 183 Ų | 183 | 139.5 Ų | 139.5 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | trans | -115.9 | 151.1 | -167.5 | -67.5 | -158.8 | 4.6 | 0 | 0 | 116.7 | | |
| 178 | G | 30.7 | Very low | 35.3 | Very low | 76 Ų | 76 | 142.3 Ų | 142.3 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | trans | -167.5 | 145.8 | 162.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 179 | K | 36.9 | Very low | 34.6 | Very low | 194 Ų | 194 | 145.7 Ų | 145.7 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -110.6 | 140.4 | -164.4 | -75 | -173.9 | 178.4 | 177.5 | 0 | 116.2 | | |
| 180 | H | 33.6 | Very low | 34 | Very low | 189 Ų | 189 | 145.2 Ų | 145.2 | 88% | 0.875 | 80% | 0.8 | S | S | * | * | | | trans | 83.3 | 94.1 | 143.2 | -165.1 | -76.3 | 0 | 0 | 0 | 120.4 | | |
| 181 | S | 31.7 | Very low | 33.2 | Very low | 111 Ų | 111 | 147.5 Ų | 147.5 | 78% | 0.776 | 81% | 0.807 | S | S | * | * | | | trans | -155.4 | 160.6 | 158.1 | 59.7 | 0 | 0 | 0 | 0 | 114 | | |
| 182 | E | 31.8 | Very low | 33.2 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 71% | 0.71 | 81% | 0.808 | S | S | * | * | | | trans | 40.2 | 113.9 | 157.6 | -74.2 | -157.1 | 105.3 | 0 | 0 | 124.5 | | |
| 183 | K | 37.5 | Very low | 33.6 | Very low | 175 Ų | 175 | 145.7 Ų | 145.7 | 76% | 0.761 | 81% | 0.805 | S | S | * | * | | | | 64.6 | 117.4 | 105.4 | -155.5 | -177.8 | -171.6 | 178.7 | 0 | 120.9 | | |
| 184 | K | 41.9 | Very low | 33.7 | Very low | 180 Ų | 180 | 149.1 Ų | 149.1 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | | | trans | 89.2 | 148.9 | 145.7 | -140.3 | -166.4 | 175.9 | 179.8 | 0 | 119.3 | | |
| 185 | N | 30.7 | Very low | 34.1 | Very low | 144 Ų | 144 | 150.3 Ų | 150.3 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | | | trans | 66.8 | 139.5 | 164.9 | -71.1 | -0.8 | 0 | 0 | 0 | 118.8 | | |
| 186 | S | 32.4 | Very low | 34.5 | Very low | 121 Ų | 121 | 145 Ų | 145 | 85% | 0.846 | 80% | 0.801 | S | S | * | * | | | trans | -144 | 136.9 | 162.8 | 59.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 187 | M | 30.2 | Very low | 34.6 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | | | trans | -136.3 | 148.6 | 173.5 | -85.6 | -151.9 | -68.8 | 0 | 0 | 111 | | |
| 188 | K | 33.6 | Very low | 35 | Very low | 187 Ų | 187 | 144.3 Ų | 144.3 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | | | trans | 51.4 | 106.9 | 154.6 | -75.5 | -173.8 | 172.3 | -175.6 | 0 | 120.4 | | |
| 189 | K | 38.1 | Very low | 35.7 | Very low | 185 Ų | 185 | 150.8 Ų | 150.8 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | | 57.4 | 117.6 | 105.3 | -72.1 | -83.6 | -172 | 173.3 | 0 | 121.3 | | |
| 190 | S | 43.2 | Very low | 36.2 | Very low | 100 Ų | 100 | 147.4 Ų | 147.4 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | | | | 76.3 | 159.7 | 129.6 | -58.5 | 0 | 0 | 0 | 0 | 118.4 | | |
| 191 | D | 34.1 | Very low | 37.1 | Very low | 155 Ų | 155 | 143.2 Ų | 143.2 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | | | cis | -153.9 | -175.7 | 9.5 | -151.8 | 8.7 | 0 | 0 | 0 | 114.7 | | |
| 192 | S | 29 | Very low | 38 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | 88.4 | 139.7 | 163.9 | -156.1 | 0 | 0 | 0 | 0 | 118.3 | | |
| 193 | G | 36.8 | Very low | 38.7 | Very low | 70 Ų | 70 | 144.6 Ų | 144.6 | 72% | 0.722 | 80% | 0.799 | S | S | * | * | | | cis | 177.3 | 175.5 | -6 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 194 | E | 30.7 | Very low | 39.1 | Very low | 182 Ų | 182 | 145.3 Ų | 145.3 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | | | trans | 88.8 | 125.6 | 161 | -104 | -172.6 | 125 | 0 | 0 | 126 | | |
| 195 | I | 38.4 | Very low | 39.7 | Very low | 147 Ų | 147 | 142.8 Ų | 142.8 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | | | trans | 28.8 | 100.6 | 158.8 | 57.4 | 172.4 | 0 | 0 | 0 | 125.3 | | |
| 196 | G | 38.6 | Very low | 40.5 | Very low | 81 Ų | 81 | 145.8 Ų | 145.8 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | | 67.8 | 101.1 | 88.2 | 0 | 0 | 0 | 0 | 0 | 122.4 | | |
| 197 | A | 34.2 | Very low | 41.1 | Very low | 89 Ų | 89 | 151.4 Ų | 151.4 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | | | trans | -154.4 | 126.7 | 152.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 198 | K | 41.1 | Very low | 41.8 | Very low | 196 Ų | 196 | 148 Ų | 148 | 85% | 0.852 | 81% | 0.807 | S | S | * | * | | | trans | 54.3 | 116.9 | 141.3 | -58.2 | 163.6 | -170.3 | 171.5 | 0 | 119.7 | | |
| 199 | K | 45 | Very low | 42.4 | Very low | 212 Ų | 212 | 145.3 Ų | 145.3 | 92% | 0.922 | 81% | 0.808 | S | S | * | * | | | trans | -60.3 | 141.8 | 165 | -68.2 | 178.4 | 178.2 | 176.2 | 0 | 111.5 | | |
| 200 | V | 47.4 | Very low | 42.3 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 75% | 0.745 | 81% | 0.808 | S | S | * | * | | | trans | -126.3 | 129.8 | 165.4 | -177.8 | 0 | 0 | 0 | 0 | 108.9 | | |
| 201 | P | 51.8 | Low | 42.1 | Very low | 102 Ų | 102 | 143 Ų | 143 | 66% | 0.662 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 152.7 | 175.3 | -19.9 | 33 | 0 | 0 | 0 | 112.7 | L203 | P201-L203 PolarHBondContact O-N 3.28Š|
| 202 | P | 52.1 | Low | 42.6 | Very low | 130 Ų | 130 | 144.8 Ų | 144.8 | 84% | 0.844 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 137.8 | 175.7 | 25.6 | -33.9 | 0 | 0 | 0 | 111.6 | | |
| 203 | L | 45.9 | Very low | 43.1 | Very low | 161 Ų | 161 | 145.9 Ų | 145.9 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -73 | 143.5 | -171.7 | -64.7 | 170.8 | 0 | 0 | 0 | 112.4 | P201 | P201-L203 PolarHBondContact O-N 3.28Š|
| 204 | K | 46.4 | Very low | 43 | Very low | 190 Ų | 190 | 147.5 Ų | 147.5 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 139.3 | 173.1 | -62.7 | 177.1 | -178.7 | 177.1 | 0 | 110.1 | | |
| 205 | P | 54.5 | Low | 43 | Very low | 128 Ų | 128 | 149 Ų | 149 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 138.3 | 175.7 | 25.7 | -33.6 | 0 | 0 | 0 | 111.1 | | |
| 206 | K | 47.9 | Very low | 43.1 | Very low | 207 Ų | 207 | 147.7 Ų | 147.7 | 90% | 0.9 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 138.2 | -177.5 | -76 | -173.7 | 174.1 | -177.2 | 0 | 111.9 | | |
| 207 | R | 44.2 | Very low | 42.9 | Very low | 238 Ų | 238 | 149.5 Ų | 149.5 | 90% | 0.898 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 141 | 165 | -170 | 178.1 | -174 | 177.6 | 1.1 | 109.3 | | |
| 208 | S | 45.6 | Very low | 43.3 | Very low | 108 Ų | 108 | 152 Ų | 152 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 133.1 | 178.9 | 39.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 209 | P | 45.3 | Very low | 43.5 | Very low | 129 Ų | 129 | 148.4 Ų | 148.4 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | trans | -95.1 | 97.8 | 177.4 | 34.5 | -30 | 0 | 0 | 0 | 111.2 | | |
| 210 | S | 36.6 | Very low | 43 | Very low | 114 Ų | 114 | 144 Ų | 144 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | -155.3 | 54.8 | 168.9 | -175 | 0 | 0 | 0 | 0 | 111.8 | | |
| 211 | T | 38.5 | Very low | 42.2 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | | | trans | -106.2 | 98.7 | 164.4 | 49.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 212 | Q | 45.8 | Very low | 41.3 | Very low | 191 Ų | 191 | 150.5 Ų | 150.5 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | | | trans | -74.5 | 136.3 | 158.4 | -70.7 | -74 | 14.6 | 0 | 0 | 107.6 | | |
| 213 | L | 38.2 | Very low | 40.7 | Very low | 141 Ų | 141 | 149.6 Ų | 149.6 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | | | trans | -99.6 | 142.5 | 178.2 | -91.1 | 98.5 | 0 | 0 | 0 | 111.6 | | |
| 214 | T | 34.6 | Very low | 40.9 | Very low | 104 Ų | 104 | 147.7 Ų | 147.7 | 64% | 0.638 | 79% | 0.794 | S | S | * | * | | | trans | 50.9 | 115.9 | 141.1 | -50.3 | 0 | 0 | 0 | 0 | 119.3 | | |
| 215 | F | 32 | Very low | 40 | Very low | 213 Ų | 213 | 143.8 Ų | 143.8 | 93% | 0.934 | 79% | 0.791 | S | S | * | * | | | | -148.6 | 145.7 | 121.4 | -89 | -64.8 | 0 | 0 | 0 | 110.1 | | |
| 216 | D | 39.4 | Very low | 38.8 | Very low | 121 Ų | 121 | 142.5 Ų | 142.5 | 65% | 0.647 | 79% | 0.791 | S | S | * | * | | | trans | -131.5 | 125.6 | 179.8 | 172.5 | 40.8 | 0 | 0 | 0 | 109.5 | | |
| 217 | P | 35.3 | Very low | 38 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | | | trans | -111.6 | 102.5 | 170.8 | 34.7 | -22.4 | 0 | 0 | 0 | 111.9 | | |
| 218 | L | 41.2 | Very low | 37.8 | Very low | 142 Ų | 142 | 133.4 Ų | 133.4 | 74% | 0.743 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63 | 152.8 | 173.8 | -67.1 | 174.2 | 0 | 0 | 0 | 113.2 | | |
| 219 | P | 45.4 | Very low | 37.4 | Very low | 119 Ų | 119 | 136.1 Ų | 136.1 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 142.3 | -172.9 | 31.1 | -36.2 | 0 | 0 | 0 | 115.2 | | |
| 220 | P | 35 | Very low | 37.1 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 154 | 163.9 | 35.2 | -32 | 0 | 0 | 0 | 112 | | |
| 221 | R | 31.5 | Very low | 36.5 | Very low | 235 Ų | 235 | 138.6 Ų | 138.6 | 89% | 0.887 | 78% | 0.782 | S | S | * | * | | | cis | -161.5 | 157.2 | -7.3 | -162.3 | 170.5 | -173.3 | 122.9 | -2 | 110.5 | | |
| 222 | V | 32.2 | Very low | 36 | Very low | 128 Ų | 128 | 141 Ų | 141 | 78% | 0.776 | 78% | 0.784 | S | S | * | * | | | trans | -63 | -178.7 | 171.7 | -93.5 | 0 | 0 | 0 | 0 | 114.9 | | |
| 223 | P | 40.2 | Very low | 35.1 | Very low | 111 Ų | 111 | 135.9 Ų | 135.9 | 72% | 0.721 | 78% | 0.775 | S | S | * | * | | | cis | -132.3 | -167 | 2 | 34.7 | -12.4 | 0 | 0 | 0 | 114.2 | | |
| 224 | P | 48.6 | Very low | 34.6 | Very low | 120 Ų | 120 | 133.5 Ų | 133.5 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | cis | -115.4 | -129.2 | -3.7 | 29.4 | -4.3 | 0 | 0 | 0 | 110.9 | | |
| 225 | S | 28.8 | Very low | 34.3 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | cis | -172.3 | 154.8 | -4.8 | 29.2 | 0 | 0 | 0 | 0 | 108 | | |
| 226 | A | 28.7 | Very low | 34.6 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | | | cis | -143.7 | 166.3 | -14.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 227 | T | 32 | Very low | 34.6 | Very low | 139 Ų | 139 | 134 Ų | 134 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | | | trans | -76.2 | 172.9 | 179.7 | 22.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 228 | P | 38.9 | Very low | 34.8 | Very low | 115 Ų | 115 | 135 Ų | 135 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | | | cis | -139.6 | 176.5 | 24.1 | 42.2 | -22.9 | 0 | 0 | 0 | 119.2 | | |
| 229 | L | 37.2 | Very low | 34.4 | Very low | 166 Ų | 166 | 136.4 Ų | 136.4 | 87% | 0.869 | 79% | 0.787 | S | S | * | * | | | trans | -117.7 | 156.7 | 160.6 | -65.8 | 171.8 | 0 | 0 | 0 | 109.1 | | |
| 230 | P | 38.4 | Very low | 33.7 | Very low | 108 Ų | 108 | 137 Ų | 137 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | | | | -153.8 | 167.4 | 127.4 | 40.9 | -24.8 | 0 | 0 | 0 | 116.9 | | |
| 231 | F | 25.6 | Very low | 33.5 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 82% | 0.82 | 79% | 0.787 | S | S | * | * | | | trans | 61 | 137.3 | 171.7 | -65.9 | -83.3 | 0 | 0 | 0 | 117.8 | | |
| 232 | Q | 27.7 | Very low | 33.5 | Very low | 173 Ų | 173 | 132 Ų | 132 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | | | cis | 100.1 | 120.5 | 6.5 | -158.5 | -169.9 | 110.6 | 0 | 0 | 117.6 | | |
| 233 | A | 25.6 | Very low | 33.6 | Very low | 85 Ų | 85 | 128.1 Ų | 128.1 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | | | trans | 86.3 | 123.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 234 | A | 28.2 | Very low | 33.6 | Very low | 90 Ų | 90 | 131.3 Ų | 131.3 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | | | trans | 78.6 | 143.9 | 137.5 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 235 | D | 27.7 | Very low | 33.5 | Very low | 162 Ų | 162 | 132.1 Ų | 132.1 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | | | trans | 60.2 | -177.3 | 159.3 | -74 | -60.9 | 0 | 0 | 0 | 119 | | |
| 236 | S | 38.2 | Very low | 34 | Very low | 109 Ų | 109 | 134.9 Ų | 134.9 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -84.8 | 148.3 | -163.2 | -63.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 237 | Q | 40.1 | Very low | 35.2 | Very low | 179 Ų | 179 | 134 Ų | 134 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | trans | 87.5 | 137.5 | 156.4 | -144.5 | 177.2 | -18.8 | 0 | 0 | 117 | | |
| 238 | I | 40.3 | Very low | 35.7 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | | | trans | 88.2 | 139.8 | 166.8 | -54.7 | -175.3 | 0 | 0 | 0 | 118 | | |
| 239 | Q | 31.8 | Very low | 35.6 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 80% | 0.799 | 75% | 0.753 | S | S | * | * | | | trans | 66 | 121.9 | 172.8 | -74.7 | 171.3 | 98.8 | 0 | 0 | 116.5 | | |
| 240 | T | 31.8 | Very low | 35.9 | Very low | 132 Ų | 132 | 134 Ų | 134 | 81% | 0.81 | 74% | 0.742 | S | S | * | * | | | | 76.9 | 132.3 | 50.8 | 68.3 | 0 | 0 | 0 | 0 | 115.6 | | |
| 241 | G | 31.1 | Very low | 36.5 | Very low | 73 Ų | 73 | 135.9 Ų | 135.9 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | | | trans | 148.1 | 101.1 | 155.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 242 | D | 31.5 | Very low | 37.4 | Very low | 175 Ų | 175 | 135 Ų | 135 | 94% | 0.936 | 74% | 0.742 | S | S | * | * | | | trans | 63.9 | 156.1 | 139.5 | -147.6 | 10.9 | 0 | 0 | 0 | 121.2 | | |
| 243 | G | 33.9 | Very low | 38.5 | Very low | 47 Ų | 47 | 132.3 Ų | 132.3 | 49% | 0.485 | 74% | 0.737 | S | S | . | * | | | trans | 72 | 123.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 244 | E | 38.7 | Very low | 39 | Very low | 178 Ų | 178 | 131.4 Ų | 131.4 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | | | cis | -132.2 | 135.7 | -5.2 | -23.2 | -67.2 | 157.6 | 0 | 0 | 106.5 | | |
| 245 | D | 47.9 | Very low | 39.4 | Very low | 137 Ų | 137 | 135.3 Ų | 135.3 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | | 43.2 | 117.6 | 89.3 | -108.3 | -153.5 | 0 | 0 | 0 | 113 | | |
| 246 | E | 39.1 | Very low | 40 | Very low | 168 Ų | 168 | 133.3 Ų | 133.3 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | | | cis | 53.3 | 171.2 | 25.2 | -103.2 | -148.2 | 103.5 | 0 | 0 | 113.4 | | |
| 247 | P | 53.9 | Low | 39.9 | Very low | 81 Ų | 81 | 136.7 Ų | 136.7 | 53% | 0.526 | 73% | 0.733 | S | S | . | * | | | cis | -124.2 | 179.2 | -15.5 | 40 | -26.1 | 0 | 0 | 0 | 113.8 | | |
| 248 | V | 41.2 | Very low | 39.4 | Very low | 82 Ų | 82 | 133 Ų | 133 | 50% | 0.497 | 72% | 0.723 | S | S | . | * | | | trans | 46 | 124.7 | 135.2 | 166.5 | 0 | 0 | 0 | 0 | 119.3 | I250 | V248-I250 HydrophobicContact CG1-CD1 3.65Å; V248-I250 HydrophobicContact CG1-CG1 4.05Å; V248-I250 HydrophobicContact CG2-CD1 4.25Å; V248-I250 HydrophobicContact CG2-CG1 4.5Å |
| 249 | Y | 38.2 | Very low | 39 | Very low | 211 Ų | 211 | 137.4 Ų | 137.4 | 83% | 0.827 | 73% | 0.731 | S | S | * | * | | | | -141.7 | 129.9 | 67.8 | -79.5 | -89.9 | 0 | 0 | 0 | 111.1 | | |
| 250 | I | 42.7 | Very low | 39 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 65% | 0.646 | 73% | 0.727 | S | S | * | * | | | | 61.7 | 114.8 | 68.4 | -62.1 | -179.9 | 0 | 0 | 0 | 111.1 | V248 | V248-I250 HydrophobicContact CG1-CD1 3.65Å; V248-I250 HydrophobicContact CG1-CG1 4.05Å; V248-I250 HydrophobicContact CG2-CD1 4.25Å; V248-I250 HydrophobicContact CG2-CG1 4.5Å |
| 251 | E | 51.8 | Low | 39 | Very low | 149 Ų | 149 | 134.5 Ų | 134.5 | 70% | 0.696 | 72% | 0.718 | S | S | * | * | | | cis | -150.8 | -159.5 | -10.7 | -135.4 | -141.6 | 118.5 | 0 | 0 | 108.6 | V253 | E251-V253 WeakPolarHBondContact OE1-CG2 3.4Å; E251-V253 PolarHBondContact OE1-N 3.04Å |
| 252 | M | 43.4 | Very low | 39 | Very low | 168 Ų | 168 | 139.6 Ų | 139.6 | 83% | 0.828 | 72% | 0.722 | S | S | * | * | | | cis | -142.3 | 147.7 | 23.7 | -83.9 | -171 | -66 | 0 | 0 | 114.8 | | |
| 253 | V | 51.3 | Low | 38.8 | Very low | 117 Ų | 117 | 137.3 Ų | 137.3 | 71% | 0.709 | 72% | 0.715 | S | S | * | * | | | trans | 32.9 | 126.8 | 140.2 | -167.1 | 0 | 0 | 0 | 0 | 120.9 | E251 | E251-V253 WeakPolarHBondContact OE1-CG2 3.4Å; E251-V253 PolarHBondContact OE1-N 3.04Å |
| 254 | G | 36.2 | Very low | 38.6 | Very low | 65 Ų | 65 | 140 Ų | 140 | 67% | 0.67 | 73% | 0.733 | S | S | * | * | | | trans | 130.9 | 70.6 | 159.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 255 | Q | 36.9 | Very low | 38.2 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | | | | 48.3 | 130.1 | 81.9 | -89.3 | -171.1 | 8 | 0 | 0 | 114 | | |
| 256 | V | 40.9 | Very low | 37.8 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | | | cis | -147.9 | 124.6 | 31.1 | 163.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 257 | F | 34.2 | Very low | 37.2 | Very low | 179 Ų | 179 | 137 Ų | 137 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | trans | 51.7 | 151.3 | 140.7 | -68.7 | -93.9 | 0 | 0 | 0 | 127.6 | | |
| 258 | T | 30.8 | Very low | 36.7 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 62% | 0.62 | 74% | 0.742 | S | S | * | * | | | trans | -66.6 | 172.8 | 163.6 | 46.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 259 | R | 31.3 | Very low | 36.2 | Very low | 233 Ų | 233 | 140.9 Ų | 140.9 | 88% | 0.879 | 76% | 0.757 | S | S | * | * | | | cis | 81.6 | 77.7 | 19 | -152.9 | -161.5 | 175.6 | -175.5 | -1.2 | 119 | | |
| 260 | E | 32 | Very low | 35.8 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 72% | 0.72 | 75% | 0.754 | S | S | * | * | | | trans | -118.8 | 175.8 | 153.4 | -91 | 66 | -146.1 | 0 | 0 | 108.8 | | |
| 261 | S | 32.2 | Very low | 36.1 | Very low | 88 Ų | 88 | 136 Ų | 136 | 62% | 0.615 | 76% | 0.758 | S | S | * | * | | | cis | -174.9 | 165.5 | -41.1 | -94.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 262 | Q | 30.5 | Very low | 34.9 | Very low | 179 Ų | 179 | 136 Ų | 136 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | | | trans | 65.2 | 179.8 | 158.4 | -72 | 170 | 54.2 | 0 | 0 | 118 | | |
| 263 | T | 27.3 | Very low | 34.2 | Very low | 128 Ų | 128 | 131.5 Ų | 131.5 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | | | | -160.9 | 172.4 | -81.9 | 20.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 264 | A | 29.3 | Very low | 33.3 | Very low | 104 Ų | 104 | 132.3 Ų | 132.3 | 86% | 0.86 | 76% | 0.762 | S | S | * | * | | | trans | 86.1 | 151.1 | 159.4 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 265 | T | 31.1 | Very low | 33.6 | Very low | 122 Ų | 122 | 135.8 Ų | 135.8 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -105.9 | 160.3 | -171.7 | 52 | 0 | 0 | 0 | 0 | 111.6 | | |
| 266 | P | 40.5 | Very low | 33.7 | Very low | 126 Ų | 126 | 133.5 Ų | 133.5 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | | | | -139.7 | 170.4 | 91 | 27 | -7 | 0 | 0 | 0 | 116.3 | | |
| 267 | H | 25.5 | Very low | 33 | Very low | 170 Ų | 170 | 135.1 Ų | 135.1 | 79% | 0.787 | 78% | 0.775 | S | S | * | * | | | trans | -73.8 | 176.3 | 173.2 | -71.6 | -68.2 | 0 | 0 | 0 | 112.2 | | |
| 268 | P | 43.4 | Very low | 32.8 | Very low | 111 Ų | 111 | 131 Ų | 131 | 72% | 0.721 | 77% | 0.769 | S | S | * | * | | | cis | -149.2 | 169 | 21.9 | 47.2 | -27.5 | 0 | 0 | 0 | 121 | | |
| 269 | V | 30.1 | Very low | 32.7 | Very low | 134 Ų | 134 | 133.7 Ų | 133.7 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | | | trans | 58.7 | 135.8 | 161.2 | -132.1 | 0 | 0 | 0 | 0 | 122.6 | | |
| 270 | T | 29.7 | Very low | 32.8 | Very low | 123 Ų | 123 | 128.2 Ų | 128.2 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | trans | -90.4 | -161.4 | 169.1 | 58.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 271 | P | 49.4 | Very low | 33.3 | Very low | 113 Ų | 113 | 128 Ų | 128 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | | | cis | -134.4 | 175.6 | -10.4 | 41.7 | -25.7 | 0 | 0 | 0 | 115.3 | | |
| 272 | V | 26.5 | Very low | 33.4 | Very low | 148 Ų | 148 | 130.9 Ų | 130.9 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | | | trans | -167.8 | 169.5 | 134.2 | 133 | 0 | 0 | 0 | 0 | 111.3 | | |
| 273 | A | 28.5 | Very low | 34 | Very low | 74 Ų | 74 | 127.8 Ų | 127.8 | 61% | 0.612 | 78% | 0.783 | S | S | * | * | | | trans | -87.1 | -178.4 | -159.2 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 274 | T | 32.5 | Very low | 34.6 | Very low | 134 Ų | 134 | 127.8 Ų | 127.8 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | 67.7 | 123.8 | 155.4 | 43.2 | 0 | 0 | 0 | 0 | 119.6 | | |
| 275 | T | 42.8 | Very low | 35.2 | Very low | 137 Ų | 137 | 126.3 Ų | 126.3 | 84% | 0.84 | 76% | 0.761 | S | S | * | * | | | trans | -66.2 | 131.9 | 168.5 | 48.5 | 0 | 0 | 0 | 0 | 113.1 | | |
| 276 | P | 38.5 | Very low | 35.6 | Very low | 125 Ų | 125 | 124.2 Ų | 124.2 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | | | trans | -92.5 | 179.9 | 143.6 | 36.3 | -30.1 | 0 | 0 | 0 | 111.2 | | |
| 277 | D | 27 | Very low | 35.3 | Very low | 154 Ų | 154 | 126.3 Ų | 126.3 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | | | trans | -118 | 177.6 | -172.8 | -154.2 | -10.8 | 0 | 0 | 0 | 110.7 | | |
| 278 | S | 30.5 | Very low | 36.3 | Very low | 92 Ų | 92 | 124.1 Ų | 124.1 | 64% | 0.643 | 73% | 0.728 | S | S | * | * | | | trans | 80.3 | 155.9 | 159.7 | -57.4 | 0 | 0 | 0 | 0 | 122.1 | | |
| 279 | D | 29.1 | Very low | 36.9 | Very low | 158 Ų | 158 | 127.3 Ų | 127.3 | 85% | 0.845 | 73% | 0.733 | S | S | * | * | | | trans | 67.8 | 85 | 156.6 | -56.6 | -29 | 0 | 0 | 0 | 120.7 | | |
| 280 | S | 32 | Very low | 37.3 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | | | | -155.4 | 92.3 | 116.1 | -161.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 281 | D | 43.6 | Very low | 37.7 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 81% | 0.807 | 74% | 0.738 | S | S | * | * | | | trans | -114.6 | 158.2 | 156 | -128.8 | -34.8 | 0 | 0 | 0 | 107.4 | | |
| 282 | Q | 34.4 | Very low | 36.9 | Very low | 147 Ų | 147 | 136.5 Ų | 136.5 | 69% | 0.687 | 74% | 0.74 | S | S | * | * | | | trans | 55.6 | 68.7 | 175.1 | -63.9 | 173.4 | -101.1 | 0 | 0 | 117.4 | E284 | Q282-E284 PolarHBondContact NE2-OE1 3.06Å; Q282-E284 PolarHBondContact O-N 3.28Å |
| 283 | S | 41.8 | Very low | 37.7 | Very low | 115 Ų | 115 | 134.9 Ų | 134.9 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | | | trans | -78.1 | 74.9 | 152.2 | 48.8 | 0 | 0 | 0 | 0 | 110.8 | A285 | S283-A285 PolarHBondContact O-N 3.18Š|
| 284 | E | 39.4 | Very low | 37.8 | Very low | 127 Ų | 127 | 139 Ų | 139 | 59% | 0.593 | 74% | 0.739 | S | S | * | * | | | trans | -73.3 | 30.4 | -170.1 | -151.4 | 160.2 | -99.6 | 0 | 0 | 114.8 | Q282 Q705 | Q282-E284 PolarHBondContact NE2-OE1 3.06Å; Q282-E284 PolarHBondContact O-N 3.28Å; E284-Q705 PolarHBondContact O-NE2 2.65Å |
| 285 | A | 42.3 | Very low | 37.6 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 60% | 0.603 | 73% | 0.731 | S | S | * | * | | | trans | -59.7 | -115.2 | -153 | 0 | 0 | 0 | 0 | 0 | 120.5 | S283 | S283-A285 PolarHBondContact O-N 3.18Š|
| 286 | I | 39.2 | Very low | 36.9 | Very low | 78 Ų | 78 | 140.1 Ų | 140.1 | 40% | 0.4 | 73% | 0.726 | S | S | . | * | | | trans | 69 | 159 | 151 | 27.9 | 169.3 | 0 | 0 | 0 | 120.9 | L703 Q704 Q705 | I286-L703 HydrophobicContact CG2-CD2 3.32Å; I286-Q704 VanDerWaalsContact CB-CA 3.43Å; I286-Q704 HydrophobicContact CG2-CG 4.48Å; I286-Q705 VanDerWaalsContact C-CB 3.41Å; I286-Q705 HydrophobicContact CB-CB 3.85Å; I286-Q705 HydrophobicContact CD1-CB 4.42Å; I286-Q705 HydrophobicContact CG1-CB 3.93Å; I286-Q705 VanDerWaalsContact O-CB 3.3Å; I286-Q705 WeakPolarHBondContact O-CB 3.4Å |
| 287 | Y | 35 | Very low | 36.5 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 67% | 0.671 | 72% | 0.724 | S | S | * | * | | | trans | -158.8 | 93.1 | -175.1 | -154.6 | -70.4 | 0 | 0 | 0 | 120.2 | Q704 P706 | Y287-Q704 VanDerWaalsContact C-CG 3.4Å; Y287-Q704 VanDerWaalsContact N-CA 3.33Å; Y287-Q704 WeakPolarHBondContact O-CB 3.47Å; Y287-Q704 WeakPolarHBondContact O-CG 3.31Å; Y287-Q704 PolarHBondContact O-NE2 3.17Å; Y287-P706 HydrophobicContact CD2-CG 3.51Å; Y287-P706 HydrophobicContact CE2-CG 3.66Å; Y287-P706 HydrophobicContact CG-CG 4.04Å |
| 288 | E | 46.5 | Very low | 36.6 | Very low | 124 Ų | 124 | 144.5 Ų | 144.5 | 58% | 0.579 | 73% | 0.726 | S | S | * | * | | | trans | 132 | 143.7 | -173 | -86.2 | 168.4 | -166.4 | 0 | 0 | 112.3 | Q704 Q705 | E288-Q704 HydrophobicContact CB-CB 3.69Å; E288-Q704 HydrophobicContact CB-CG 4.28Å; E288-Q704 CarbonylContact O-C 2.88Å; E288-Q704 WeakPolarHBondContact O-CA 3.23Å; E288-Q704 WeakPolarHBondContact O-CB 3.46Å; E288-Q704 PolarHBondContact OE2-NE2 3.18Å; E288-Q705 CarbonylContact C-O 3.56Å; E288-Q705 WeakPolarHBondContact CA-O 3.43Å; E288-Q705 PolarHBondContact N-O 2.67Å; E288-Q705 PolarHBondContact O-N 3.26Å |
| 289 | E | 56.9 | Low | 36.6 | Very low | 178 Ų | 178 | 148.5 Ų | 148.5 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | | | cis | -139.6 | 144 | -7.7 | 179.6 | -179 | -175.2 | 0 | 0 | 110 | | |
| 290 | M | 38.5 | Very low | 36.5 | Very low | 162 Ų | 162 | 145.8 Ų | 145.8 | 80% | 0.798 | 73% | 0.728 | S | S | * | * | | | trans | -93.5 | 109.9 | 177.3 | -75.3 | -123.3 | -65.6 | 0 | 0 | 114.2 | | |
| 291 | K | 37.8 | Very low | 36.2 | Very low | 199 Ų | 199 | 146.8 Ų | 146.8 | 87% | 0.865 | 72% | 0.719 | S | S | * | * | | | trans | -154.5 | 97.2 | 145.8 | -137 | 77.4 | 173 | -164.3 | 0 | 115.2 | | |
| 292 | Y | 31.3 | Very low | 35.4 | Very low | 201 Ų | 201 | 148.5 Ų | 148.5 | 79% | 0.788 | 71% | 0.714 | S | S | * | * | | | trans | -69.9 | 168 | 155.2 | -95.8 | -106.2 | 0 | 0 | 0 | 110.2 | | |
| 293 | P | 43.8 | Very low | 35 | Very low | 115 Ų | 115 | 149.3 Ų | 149.3 | 75% | 0.747 | 72% | 0.718 | S | S | * | * | | | cis | -137.2 | 161 | 31.6 | 21.5 | 5 | 0 | 0 | 0 | 119.6 | | |
| 294 | H | 31.6 | Very low | 34.3 | Very low | 159 Ų | 159 | 150.9 Ų | 150.9 | 74% | 0.736 | 72% | 0.716 | S | S | * | * | | | | 24.5 | 147.7 | 124.2 | -98.2 | -22.4 | 0 | 0 | 0 | 119.2 | | |
| 295 | Q | 28.3 | Very low | 34.6 | Very low | 137 Ų | 137 | 150.2 Ų | 150.2 | 64% | 0.64 | 72% | 0.723 | S | S | * | * | | | | 179.8 | 157.1 | 59.9 | -151.8 | 171.7 | -33.1 | 0 | 0 | 111.6 | | |
| 296 | E | 26.9 | Very low | 34.7 | Very low | 159 Ų | 159 | 151 Ų | 151 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | | | trans | 61.3 | 168.3 | 146.3 | -96 | 156.9 | -134.4 | 0 | 0 | 124.9 | | |
| 297 | D | 30.8 | Very low | 34.2 | Very low | 145 Ų | 145 | 156.3 Ų | 156.3 | 78% | 0.775 | 74% | 0.742 | S | S | * | * | | | trans | -50.5 | 145.9 | 177.9 | -68.4 | -60.4 | 0 | 0 | 0 | 115 | | |
| 298 | R | 29.4 | Very low | 34.1 | Very low | 226 Ų | 226 | 154.9 Ų | 154.9 | 85% | 0.853 | 74% | 0.741 | S | S | * | * | | | | -175.7 | 128.9 | 100.6 | -101.5 | -174 | 166.6 | -163.6 | -6 | 116.6 | S300 | R298-S300 PolarHBondContact O-N 3.02Š|
| 299 | E | 29.9 | Very low | 33.4 | Very low | 175 Ų | 175 | 154.8 Ų | 154.8 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | | | | 16.9 | 88.8 | 111.1 | -164.5 | 88.5 | -97.4 | 0 | 0 | 116.8 | | |
| 300 | S | 27.6 | Very low | 32.3 | Very low | 102 Ų | 102 | 153.2 Ų | 153.2 | 71% | 0.713 | 73% | 0.731 | S | S | * | * | | | trans | -159.2 | 109.6 | 154.2 | -90.5 | 0 | 0 | 0 | 0 | 116.2 | R298 | R298-S300 PolarHBondContact O-N 3.02Š|
| 301 | Q | 25.5 | Very low | 32.2 | Very low | 138 Ų | 138 | 151.6 Ų | 151.6 | 65% | 0.645 | 73% | 0.725 | S | S | * | * | | | | 52.2 | 124.4 | 123.6 | -60 | -165.7 | 18.9 | 0 | 0 | 122 | | |
| 302 | R | 25.8 | Very low | 32 | Very low | 187 Ų | 187 | 150.6 Ų | 150.6 | 71% | 0.706 | 72% | 0.721 | S | S | * | * | | | trans | 47.9 | 115.8 | 131.7 | -48.1 | -178.8 | -70.1 | 144.5 | -7 | 117.1 | | |
| 303 | H | 27.7 | Very low | 32.1 | Very low | 164 Ų | 164 | 145.1 Ų | 145.1 | 76% | 0.759 | 72% | 0.718 | S | S | * | * | | | | -169.5 | 150.7 | 73.2 | -117.1 | -84.9 | 0 | 0 | 0 | 114.6 | | |
| 304 | L | 25.4 | Very low | 31.6 | Very low | 149 Ų | 149 | 144.2 Ų | 144.2 | 78% | 0.78 | 71% | 0.714 | S | S | * | * | | | trans | -86.9 | 170.8 | 153.2 | -70.6 | 169.6 | 0 | 0 | 0 | 109.5 | | |
| 305 | P | 45.7 | Very low | 31.7 | Very low | 112 Ų | 112 | 145.6 Ų | 145.6 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | cis | -125.1 | -121.5 | -9 | 23 | 5.3 | 0 | 0 | 0 | 108 | | |
| 306 | P | 44.9 | Very low | 31.9 | Very low | 91 Ų | 91 | 144.1 Ų | 144.1 | 59% | 0.591 | 71% | 0.71 | S | S | * | * | | | cis | -141.6 | 141.1 | -20.7 | 33 | -9.8 | 0 | 0 | 0 | 119.5 | | |
| 307 | K | 29.1 | Very low | 32 | Very low | 189 Ų | 189 | 144.4 Ų | 144.4 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | | | trans | 65.2 | -175.5 | 140.2 | -55.7 | 172.4 | 175.9 | -178.7 | 0 | 115.3 | | |
| 308 | H | 32 | Very low | 31.9 | Very low | 141 Ų | 141 | 141 Ų | 141 | 65% | 0.653 | 69% | 0.685 | S | S | * | * | | | cis | -153.8 | -179.8 | 0.4 | -156 | -129.9 | 0 | 0 | 0 | 112.4 | | |
| 309 | E | 31.8 | Very low | 31.9 | Very low | 122 Ų | 122 | 133.2 Ų | 133.2 | 57% | 0.57 | 66% | 0.663 | S | S | * | * | | | trans | 80.3 | 141.2 | 161.8 | -43.7 | -89 | 93.4 | 0 | 0 | 118.4 | | |
| 310 | K | 35.3 | Very low | 31.9 | Very low | 144 Ų | 144 | 128.5 Ų | 128.5 | 63% | 0.626 | 65% | 0.646 | S | S | * | * | | | cis | -151.9 | 135.3 | -20.2 | -113.2 | 178.4 | -179.9 | 141.7 | 0 | 107.3 | | |
| 311 | L | 36.5 | Very low | 32 | Very low | 129 Ų | 129 | 130 Ų | 130 | 68% | 0.675 | 65% | 0.651 | S | S | * | * | | | | 53.7 | 138.6 | 99.9 | -60.3 | -172.7 | 0 | 0 | 0 | 115 | | |
| 312 | K | 33.1 | Very low | 32.2 | Very low | 177 Ų | 177 | 128.3 Ų | 128.3 | 77% | 0.77 | 65% | 0.654 | S | S | * | * | | | cis | -146.9 | 143.7 | 18.2 | -108.3 | 135.5 | 178.8 | -178.4 | 0 | 108.7 | | |
| 313 | A | 33.2 | Very low | 32.5 | Very low | 87 Ų | 87 | 124.6 Ų | 124.6 | 72% | 0.719 | 66% | 0.657 | S | S | * | * | | | | 69.4 | 155.2 | 84.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 314 | S | 33.2 | Very low | 32.7 | Very low | 95 Ų | 95 | 121.9 Ų | 121.9 | 66% | 0.664 | 66% | 0.656 | S | S | * | * | | | cis | -160.1 | 146.6 | 16 | -151.2 | 0 | 0 | 0 | 0 | 113.3 | | |
| 315 | K | 34.6 | Very low | 33 | Very low | 188 Ų | 188 | 119.6 Ų | 119.6 | 82% | 0.817 | 65% | 0.653 | S | S | * | * | | | trans | 42.9 | 149.7 | 134.5 | -71.4 | -175.6 | 180 | -172.4 | 0 | 122.3 | | |
| 316 | H | 32.1 | Very low | 32.3 | Very low | 106 Ų | 106 | 121.4 Ų | 121.4 | 49% | 0.491 | 66% | 0.656 | S | S | . | * | | | cis | 179.2 | 124 | -21.8 | -137 | -128.8 | 0 | 0 | 0 | 108.1 | W748 | H316-W748 HydrophobicContact CB-CB 3.94Å; H316-W748 HydrophobicContact CB-CE3 4.15Å; H316-W748 HydrophobicContact CB-CG 4.47Å; H316-W748 AromaticContact CD2-CE3 3.71Å; H316-W748 AromaticContact CE1-CD2 3.24Å; H316-W748 AromaticContact CE1-CE2 3.53Å; H316-W748 AromaticContact CE1-CE3 3.36Å; H316-W748 AromaticContact CE1-CG 3.77Å; H316-W748 AromaticContact CE1-CZ3 3.86Å; H316-W748 AromaticContact CE1-NE1 3.95Å; H316-W748 AromaticContact CG-CD2 3.76Å; H316-W748 AromaticContact CG-CE3 3.44Å; H316-W748 VanDerWaalsContact CG-CE3 3.44Å; H316-W748 AromaticContact ND1-CD1 3.79Å; H316-W748 AromaticContact ND1-CD2 3.06Å; H316-W748 AromaticContact ND1-CE2 3.8Å; H316-W748 AromaticContact ND1-CE3 3.25Å; H316-W748 AromaticContact ND1-CG 3.17Å; H316-W748 AromaticContact NE2-CE3 3.67Å; H316-W748 AromaticContact NE2-CZ3 3.84Å |
| 317 | Y | 28.9 | Very low | 31.7 | Very low | 166 Ų | 166 | 121.4 Ų | 121.4 | 65% | 0.651 | 66% | 0.659 | S | S | * | * | | | trans | -167.9 | 118.1 | 178.5 | -91.7 | -1.4 | 0 | 0 | 0 | 112.3 | P749 M750 | Y317-P749 VanDerWaalsContact CD1-C 3.45Å; Y317-P749 WeakPolarHBondContact CD1-O 3.47Å; Y317-P749 WeakPolarHBondContact CD2-O 3.46Å; Y317-M750 VanDerWaalsContact C-N 3.26Å; Y317-M750 WeakPolarHBondContact CD2-O 3.39Å |
| 318 | H | 29.1 | Very low | 31.9 | Very low | 73 Ų | 73 | 117.6 Ų | 117.6 | 34% | 0.338 | 66% | 0.656 | S | S | . | * | B | Isolated β-bridge | cis | 89.9 | -176.4 | -7.4 | -147.8 | 38.9 | 0 | 0 | 0 | 123.7 | T320 W748 P749 M750 | H318-T320 WeakPolarHBondContact NE2-CG2 3.49Å; H318-T320 PolarHBondContact NE2-N 3.43Å; H318-W748 CarbonylContact C-O 3.58Å; H318-W748 WeakPolarHBondContact CA-O 3.44Å; H318-W748 HydrophobicContact CB-CB 4.01Å; H318-W748 HydrophobicContact CB-CD2 3.13Å; H318-W748 HydrophobicContact CB-CE3 3.65Å; H318-W748 HydrophobicContact CB-CG 3.32Å; H318-W748 HydrophobicContact CB-CH2 4.21Å; H318-W748 HydrophobicContact CB-CZ2 3.83Å; H318-W748 HydrophobicContact CB-CZ3 4.15Å; H318-W748 WeakPolarHBondContact CB-O 3.49Å; H318-W748 AromaticContact CD2-CD1 3.59Å; H318-W748 AromaticContact CD2-CE2 3.6Å; H318-W748 AromaticContact CD2-NE1 3.21Å; H318-W748 PolarHBondContact CD2-NE1 3.33Å; H318-W748 AromaticContact CG-CD1 4Å; H318-W748 AromaticContact CG-CE2 3.62Å; H318-W748 AromaticContact CG-CZ2 3.95Å; H318-W748 AromaticContact CG-NE1 3.7Å; H318-P749 CarbonylContact O-C 3.45Å; H318-P749 WeakPolarHBondContact O-CA 3.39Å; H318-M750 WeakPolarHBondContact O-CE 3.27Å; H318-M750 PolarHBondContact O-N 3.06Å |
| 319 | V | 27.7 | Very low | 31.8 | Very low | 63 Ų | 63 | 116.5 Ų | 116.5 | 38% | 0.382 | 66% | 0.664 | S | S | . | * | | | cis | -142 | -176.2 | 46.6 | 79.2 | 0 | 0 | 0 | 0 | 114.4 | W748 P749 | V319-W748 WeakPolarHBondContact CA-O 3.35Å; V319-W748 WeakPolarHBondContact CB-O 3.38Å; V319-W748 PolarHBondContact N-O 3.12Å; V319-W748 VanDerWaalsContact N-O 3.16Å; V319-P749 HydrophobicContact CB-CB 4.2Å; V319-P749 HydrophobicContact CB-CG 4.43Å |
| 320 | T | 30.3 | Very low | 32.3 | Very low | 75 Ų | 75 | 118.6 Ų | 118.6 | 46% | 0.46 | 68% | 0.678 | S | S | . | * | | | trans | -85.6 | 169.5 | -174.8 | 47.2 | 0 | 0 | 0 | 0 | 115.6 | H318 | H318-T320 WeakPolarHBondContact NE2-CG2 3.49Å; H318-T320 PolarHBondContact NE2-N 3.43Å |
| 321 | T | 29.7 | Very low | 32.8 | Very low | 133 Ų | 133 | 118 Ų | 118 | 82% | 0.816 | 69% | 0.689 | S | S | * | * | | | cis | -127.5 | 169.5 | 21.5 | 51 | 0 | 0 | 0 | 0 | 112.4 | | |
| 322 | S | 30.1 | Very low | 32.8 | Very low | 103 Ų | 103 | 122.6 Ų | 122.6 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | | | cis | -157.1 | 162.5 | 40.9 | 57.6 | 0 | 0 | 0 | 0 | 117.2 | | |
| 323 | S | 33.2 | Very low | 33.2 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 76% | 0.762 | 70% | 0.701 | S | S | * | * | | | trans | -28.4 | 161.3 | 160.1 | 30.5 | 0 | 0 | 0 | 0 | 119.6 | | |
| 324 | S | 30.9 | Very low | 33 | Very low | 107 Ų | 107 | 121.1 Ų | 121.1 | 75% | 0.748 | 70% | 0.701 | S | S | * | * | | | cis | -166.9 | 162.3 | -1.4 | 40.8 | 0 | 0 | 0 | 0 | 115.1 | | |
| 325 | S | 31.1 | Very low | 32.7 | Very low | 101 Ų | 101 | 121.9 Ų | 121.9 | 71% | 0.706 | 71% | 0.706 | S | S | * | * | | | trans | -33.2 | 171.4 | 159.1 | 62.4 | 0 | 0 | 0 | 0 | 119.8 | | |
| 326 | N | 31.7 | Very low | 32.4 | Very low | 150 Ų | 150 | 118.4 Ų | 118.4 | 80% | 0.802 | 71% | 0.706 | S | S | * | * | | | cis | -166.6 | 171.2 | 6.6 | -131.1 | 6.6 | 0 | 0 | 0 | 115.9 | | |
| 327 | S | 31.6 | Very low | 32.4 | Very low | 92 Ų | 92 | 118.8 Ų | 118.8 | 64% | 0.643 | 72% | 0.72 | S | S | * | * | | | trans | 54.8 | 113 | 139.9 | 69.5 | 0 | 0 | 0 | 0 | 126.2 | | |
| 328 | S | 35 | Very low | 33.2 | Very low | 108 Ų | 108 | 117 Ų | 117 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | | | | 45.3 | 136.9 | 125.3 | 66.6 | 0 | 0 | 0 | 0 | 125.7 | | |
| 329 | S | 28.6 | Very low | 33.2 | Very low | 119 Ų | 119 | 119.1 Ų | 119.1 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | | | | 169.6 | 172.3 | 114.6 | 50.2 | 0 | 0 | 0 | 0 | 114.5 | | |
| 330 | L | 43 | Very low | 33.4 | Very low | 165 Ų | 165 | 126.7 Ų | 126.7 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | | | trans | -123.8 | 159 | 175.3 | -63.6 | 172.8 | 0 | 0 | 0 | 109.6 | | |
| 331 | P | 45.5 | Very low | 33.5 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | | -154.5 | -173.6 | 99.5 | 39.3 | -19.6 | 0 | 0 | 0 | 116.6 | | |
| 332 | R | 35.9 | Very low | 33.8 | Very low | 227 Ų | 227 | 131.4 Ų | 131.4 | 86% | 0.857 | 79% | 0.792 | S | S | * | * | | | trans | -92 | 167.7 | 168.5 | -75.1 | 178 | 158.2 | -161.1 | -3.4 | 112 | | |
| 333 | P | 42.4 | Very low | 34.9 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | | | | -140.9 | -143.9 | 103.6 | 39.8 | -25 | 0 | 0 | 0 | 114.5 | | |
| 334 | S | 27.7 | Very low | 34.8 | Very low | 101 Ų | 101 | 136.6 Ų | 136.6 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | trans | -142.7 | 172.8 | -148.4 | -53.3 | 0 | 0 | 0 | 0 | 116 | | |
| 335 | S | 28.3 | Very low | 34.9 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | | | trans | 105.9 | 160.3 | 138.5 | 83.8 | 0 | 0 | 0 | 0 | 122.1 | | |
| 336 | S | 28.6 | Very low | 34.9 | Very low | 114 Ų | 114 | 137 Ų | 137 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | | | trans | 92.1 | 149.8 | 153.2 | 78.7 | 0 | 0 | 0 | 0 | 121.1 | | |
| 337 | S | 30.9 | Very low | 34.9 | Very low | 114 Ų | 114 | 135.4 Ų | 135.4 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | | | trans | -125.1 | 159.3 | -179.2 | -47.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 338 | P | 45.8 | Very low | 35 | Very low | 130 Ų | 130 | 136.1 Ų | 136.1 | 84% | 0.844 | 80% | 0.803 | S | S | * | * | | | trans | -85.1 | 165.5 | 168.4 | 35 | -33.7 | 0 | 0 | 0 | 113 | | |
| 339 | S | 29.1 | Very low | 34.8 | Very low | 116 Ų | 116 | 137.7 Ų | 137.7 | 81% | 0.811 | 80% | 0.802 | S | S | * | * | | | trans | -152.1 | -176 | -176.4 | -169.5 | 0 | 0 | 0 | 0 | 112 | | |
| 340 | Y | 31.6 | Very low | 35.1 | Very low | 222 Ų | 222 | 136.5 Ų | 136.5 | 87% | 0.871 | 79% | 0.793 | S | S | * | * | | | trans | 96.5 | 139.5 | -167.8 | -79.8 | -104.8 | 0 | 0 | 0 | 114.4 | | |
| 341 | S | 33.2 | Very low | 34.8 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | | | cis | -136.8 | 171.9 | 20.3 | -59.4 | 0 | 0 | 0 | 0 | 115 | | |
| 342 | K | 36.8 | Very low | 34.1 | Very low | 200 Ų | 200 | 135.7 Ų | 135.7 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | | | trans | -120.7 | 178.3 | 169 | -79.8 | -174.3 | 176.7 | 179.1 | 0 | 108.8 | | |
| 343 | P | 53.1 | Low | 34 | Very low | 117 Ų | 117 | 130.2 Ų | 130.2 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | | | cis | -147.3 | 174.7 | 15.6 | 43.5 | -23.6 | 0 | 0 | 0 | 120.3 | | |
| 344 | K | 30.6 | Very low | 34.4 | Very low | 203 Ų | 203 | 130 Ų | 130 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | | | trans | 100.9 | 137.5 | 135.1 | -134.1 | 171 | -174.7 | 179.5 | 0 | 121.5 | | |
| 345 | A | 32 | Very low | 34.8 | Very low | 91 Ų | 91 | 132.2 Ų | 132.2 | 75% | 0.752 | 78% | 0.783 | S | S | * | * | | | trans | 74.1 | 151.3 | 164.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 346 | T | 31 | Very low | 35.9 | Very low | 127 Ų | 127 | 133 Ų | 133 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | cis | -174 | 162.3 | -31.7 | -92.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 347 | V | 32 | Very low | 36 | Very low | 115 Ų | 115 | 132.5 Ų | 132.5 | 70% | 0.697 | 78% | 0.782 | S | S | * | * | | | trans | 73.8 | 128.1 | -178.8 | -149.9 | 0 | 0 | 0 | 0 | 113.3 | | |
| 348 | S | 33.2 | Very low | 36.2 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | cis | 78.3 | 137.3 | 43.3 | -47.2 | 0 | 0 | 0 | 0 | 112.7 | | |
| 349 | I | 32.6 | Very low | 35.4 | Very low | 141 Ų | 141 | 131 Ų | 131 | 72% | 0.723 | 78% | 0.78 | S | S | * | * | | | | -162.2 | 130 | 57.7 | -71.5 | 152.6 | 0 | 0 | 0 | 105.4 | | |
| 350 | S | 34.2 | Very low | 35.5 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | | | | 88.6 | 146.2 | 62.4 | -53.6 | 0 | 0 | 0 | 0 | 116 | | |
| 351 | H | 35.4 | Very low | 35.4 | Very low | 174 Ų | 174 | 125.2 Ų | 125.2 | 81% | 0.806 | 77% | 0.772 | S | S | * | * | | | trans | 78.8 | 149.8 | 175 | -52.8 | -70.8 | 0 | 0 | 0 | 116.3 | | |
| 352 | S | 30.9 | Very low | 35.8 | Very low | 104 Ų | 104 | 126.6 Ų | 126.6 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | | | cis | -162.1 | -176.8 | -9.5 | -110.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 353 | S | 35 | Very low | 36.3 | Very low | 113 Ų | 113 | 122.7 Ų | 122.7 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -138.5 | 171.8 | 162.8 | -50.5 | 0 | 0 | 0 | 0 | 109.1 | | |
| 354 | P | 50 | Low | 35.6 | Very low | 125 Ų | 125 | 123.5 Ų | 123.5 | 81% | 0.812 | 77% | 0.774 | S | S | * | * | | | | -153.8 | -174.8 | 81.9 | 41.2 | -20.8 | 0 | 0 | 0 | 116.5 | | |
| 355 | L | 36.6 | Very low | 36.4 | Very low | 149 Ų | 149 | 119.3 Ų | 119.3 | 78% | 0.78 | 77% | 0.767 | S | S | * | * | | | trans | -89.2 | 175.1 | 164.8 | -66.4 | 166.7 | 0 | 0 | 0 | 111.3 | | |
| 356 | P | 51.9 | Low | 36.3 | Very low | 129 Ų | 129 | 123 Ų | 123 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | | | | -142.8 | -172.9 | 106.5 | 40.5 | -27.8 | 0 | 0 | 0 | 114.5 | | |
| 357 | S | 30.8 | Very low | 36.3 | Very low | 103 Ų | 103 | 122.7 Ų | 122.7 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | | | trans | -136.9 | 167.3 | -175.3 | -57.8 | 0 | 0 | 0 | 0 | 113 | | |
| 358 | S | 33.6 | Very low | 36.2 | Very low | 115 Ų | 115 | 124.6 Ų | 124.6 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | | | trans | 105.6 | 131.6 | 146.6 | -56.5 | 0 | 0 | 0 | 0 | 121.3 | | |
| 359 | A | 30.6 | Very low | 36 | Very low | 96 Ų | 96 | 124.3 Ų | 124.3 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | | | trans | 81.1 | 119.7 | 139.4 | 0 | 0 | 0 | 0 | 0 | 123.2 | | |
| 360 | S | 30.6 | Very low | 35.9 | Very low | 110 Ų | 110 | 123.7 Ų | 123.7 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | | | trans | 56.9 | 122.1 | 136.9 | -162.3 | 0 | 0 | 0 | 0 | 121.6 | | |
| 361 | S | 30 | Very low | 35.7 | Very low | 107 Ų | 107 | 123.2 Ų | 123.2 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | | 172.7 | 148.1 | 97 | -68.3 | 0 | 0 | 0 | 0 | 112.4 | | |
| 362 | T | 41.4 | Very low | 36.2 | Very low | 138 Ų | 138 | 120.9 Ų | 120.9 | 85% | 0.847 | 77% | 0.77 | S | S | * | * | | | trans | -87.9 | 150.6 | 168.3 | 46.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 363 | P | 46.1 | Very low | 36.4 | Very low | 118 Ų | 118 | 123.1 Ų | 123.1 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | | | | -142.7 | 168.7 | 127.6 | 38.2 | -25.9 | 0 | 0 | 0 | 114.3 | | |
| 364 | V | 40.3 | Very low | 36.5 | Very low | 134 Ų | 134 | 122.9 Ų | 122.9 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | | | trans | -128.9 | 127.4 | 168.2 | 175.1 | 0 | 0 | 0 | 0 | 108.9 | | |
| 365 | P | 46.4 | Very low | 36.4 | Very low | 114 Ų | 114 | 122.7 Ų | 122.7 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | | | | -131.2 | 150 | 129.5 | 35.6 | -26.1 | 0 | 0 | 0 | 110.9 | | |
| 366 | Q | 30 | Very low | 36.1 | Very low | 169 Ų | 169 | 127.1 Ų | 127.1 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | | | cis | 92.5 | 108.9 | 34.4 | -90.4 | -153 | -18.1 | 0 | 0 | 116.6 | | |
| 367 | V | 31 | Very low | 35 | Very low | 120 Ų | 120 | 124.7 Ų | 124.7 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | | | trans | 50.3 | 155 | 149.2 | -89.2 | 0 | 0 | 0 | 0 | 120.9 | | |
| 368 | L | 29.9 | Very low | 35.7 | Very low | 156 Ų | 156 | 125.6 Ų | 125.6 | 82% | 0.817 | 76% | 0.762 | S | S | * | * | | | cis | -93.7 | -149.1 | -0.9 | -65.3 | 165.3 | 0 | 0 | 0 | 110.2 | | |
| 369 | S | 27.8 | Very low | 35.7 | Very low | 102 Ų | 102 | 126 Ų | 126 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | | | cis | -161.5 | 170.7 | -1.5 | -142 | 0 | 0 | 0 | 0 | 107.6 | | |
| 370 | T | 31.2 | Very low | 36.8 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | | | cis | -131.9 | -159 | 9.7 | 62.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 371 | S | 30.5 | Very low | 36.7 | Very low | 83 Ų | 83 | 131 Ų | 131 | 58% | 0.58 | 76% | 0.756 | S | S | * | * | | | trans | -107.7 | 174.7 | 161.4 | -108.2 | 0 | 0 | 0 | 0 | 110.7 | H373 | S371-H373 VanDerWaalsContact OG-CB 3.3Å; S371-H373 WeakPolarHBondContact OG-CB 3.26Å |
| 372 | P | 46.1 | Very low | 36.9 | Very low | 125 Ų | 125 | 133.3 Ų | 133.3 | 81% | 0.812 | 76% | 0.759 | S | S | * | * | | | cis | -118.5 | 150.6 | 15.3 | 37.8 | -24 | 0 | 0 | 0 | 115.7 | | |
| 373 | H | 34.7 | Very low | 36.6 | Very low | 151 Ų | 151 | 134.1 Ų | 134.1 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | | | cis | 75.5 | 112.6 | 19.4 | -166.4 | -84.8 | 0 | 0 | 0 | 114.4 | S371 | S371-H373 VanDerWaalsContact OG-CB 3.3Å; S371-H373 WeakPolarHBondContact OG-CB 3.26Å |
| 374 | T | 37 | Very low | 36 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 66% | 0.663 | 76% | 0.764 | S | S | * | * | | | cis | -139.5 | -152.6 | 16 | -1.2 | 0 | 0 | 0 | 0 | 108.3 | | |
| 375 | P | 48.1 | Very low | 35.6 | Very low | 121 Ų | 121 | 134.6 Ų | 134.6 | 79% | 0.786 | 76% | 0.759 | S | S | * | * | | | cis | -122.7 | -162.2 | -7.4 | 16.2 | 12 | 0 | 0 | 0 | 112.1 | | |
| 376 | R | 30.3 | Very low | 34.8 | Very low | 242 Ų | 242 | 132.7 Ų | 132.7 | 91% | 0.913 | 76% | 0.76 | S | S | * | * | | | cis | -169.7 | 157.8 | -38.8 | 173.5 | 171.4 | 168.3 | 163.6 | -0.7 | 108.1 | | |
| 377 | A | 27.9 | Very low | 35 | Very low | 79 Ų | 79 | 134.7 Ų | 134.7 | 65% | 0.653 | 77% | 0.766 | S | S | * | * | | | trans | -106.9 | -171.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 378 | P | 45.3 | Very low | 35.1 | Very low | 122 Ų | 122 | 133.3 Ų | 133.3 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | | | cis | -139.4 | -154.2 | -1.6 | 40.8 | -17.7 | 0 | 0 | 0 | 114.4 | | |
| 379 | T | 35.5 | Very low | 35 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 76% | 0.761 | 76% | 0.759 | S | S | * | * | | | trans | -61.5 | 178.2 | 163.3 | 51.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 380 | P | 53 | Low | 35.3 | Very low | 98 Ų | 98 | 133.6 Ų | 133.6 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | | | cis | -142.3 | -164 | 12.3 | 27.2 | 1.4 | 0 | 0 | 0 | 116.5 | | |
| 381 | Y | 29 | Very low | 35.3 | Very low | 212 Ų | 212 | 135.7 Ų | 135.7 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | | | trans | 68.9 | 159.5 | 169.6 | -67.8 | -78.2 | 0 | 0 | 0 | 116.6 | | |
| 382 | L | 34.4 | Very low | 35.7 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | | | cis | -141 | 175.3 | 23.4 | -131.6 | 172.7 | 0 | 0 | 0 | 112.6 | | |
| 383 | L | 34.1 | Very low | 35.1 | Very low | 155 Ų | 155 | 137.5 Ų | 137.5 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | trans | -99.8 | -177 | 178 | -100.9 | 134.8 | 0 | 0 | 0 | 112.2 | | |
| 384 | Q | 33.5 | Very low | 35.2 | Very low | 192 Ų | 192 | 136 Ų | 136 | 90% | 0.897 | 77% | 0.766 | S | S | * | * | | | trans | 88.1 | 139.3 | 153.9 | -149.9 | 167.6 | 42.4 | 0 | 0 | 116.4 | | |
| 385 | G | 31.1 | Very low | 35.2 | Very low | 70 Ų | 70 | 139.5 Ų | 139.5 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | cis | -115.4 | -179.5 | -9.9 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 386 | G | 30.7 | Very low | 35 | Very low | 74 Ų | 74 | 141.2 Ų | 141.2 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | | | | 82.1 | 110.4 | 52.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | | |
| 387 | K | 34.2 | Very low | 35.5 | Very low | 210 Ų | 210 | 135.7 Ų | 135.7 | 91% | 0.913 | 77% | 0.769 | S | S | * | * | | | | -149.3 | 176.4 | 64.5 | -75.3 | 155.8 | -175.7 | 177.2 | 0 | 113.8 | | |
| 388 | S | 32.1 | Very low | 36.1 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 64% | 0.643 | 77% | 0.773 | S | S | * | * | | | trans | -67.8 | -174.4 | 166.7 | 52.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 389 | E | 29.5 | Very low | 36.3 | Very low | 162 Ų | 162 | 135.6 Ų | 135.6 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | | | cis | -167.4 | 167.7 | 21 | -147.2 | 149.7 | 124.9 | 0 | 0 | 111.2 | | |
| 390 | S | 33.6 | Very low | 36.8 | Very low | 101 Ų | 101 | 138.8 Ų | 138.8 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | trans | 54.3 | 168.8 | 148.5 | 65.7 | 0 | 0 | 0 | 0 | 121.3 | | |
| 391 | E | 31.6 | Very low | 36.6 | Very low | 173 Ų | 173 | 140 Ų | 140 | 81% | 0.808 | 78% | 0.781 | S | S | * | * | | | cis | -159.5 | 148.8 | -48.5 | -112.3 | -174.7 | 99.2 | 0 | 0 | 109.7 | | |
| 392 | S | 37.3 | Very low | 37.3 | Very low | 105 Ų | 105 | 136.6 Ų | 136.6 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | | | trans | 61.8 | 171.1 | 166.6 | 85.9 | 0 | 0 | 0 | 0 | 115.6 | | |
| 393 | N | 33.9 | Very low | 37.6 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | cis | -141.7 | 178.4 | 9.8 | -149.5 | -67.5 | 0 | 0 | 0 | 111.5 | | |
| 394 | T | 38.2 | Very low | 38.1 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | | | trans | -102.1 | 172.3 | -171.3 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | | |
| 395 | K | 35.2 | Very low | 38.9 | Very low | 181 Ų | 181 | 135.5 Ų | 135.5 | 79% | 0.787 | 77% | 0.772 | S | S | * | * | | | trans | 103.8 | 96.8 | 140 | -151.6 | 169.7 | -172.3 | 174 | 0 | 119.3 | | |
| 396 | I | 44.3 | Very low | 39.5 | Very low | 157 Ų | 157 | 142 Ų | 142 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | | | | 35.3 | 118.9 | 125.3 | -60 | 167.9 | 0 | 0 | 0 | 116.9 | | |
| 397 | P | 40.3 | Very low | 40.2 | Very low | 126 Ų | 126 | 149.7 Ų | 149.7 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | | -142.8 | 159.7 | 104.8 | 38.6 | -25.7 | 0 | 0 | 0 | 117.5 | | |
| 398 | A | 40.8 | Very low | 40.9 | Very low | 90 Ų | 90 | 145.2 Ų | 145.2 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | | | trans | -124.7 | 171.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 399 | P | 49.5 | Very low | 41.9 | Very low | 109 Ų | 109 | 146.7 Ų | 146.7 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | | | cis | -140.7 | -169.9 | 19.9 | 42.1 | -21.1 | 0 | 0 | 0 | 116.9 | | |
| 400 | F | 46.8 | Very low | 42.5 | Very low | 191 Ų | 191 | 147.3 Ų | 147.3 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | trans | -16.3 | 151 | 172.4 | -56.7 | -75.1 | 0 | 0 | 0 | 120.9 | | |
| 401 | P | 48.9 | Very low | 43 | Very low | 125 Ų | 125 | 150.4 Ų | 150.4 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | | | | -131.7 | 171.6 | 97.2 | 38.9 | -32.1 | 0 | 0 | 0 | 115.8 | | |
| 402 | N | 42.8 | Very low | 43.3 | Very low | 139 Ų | 139 | 146.9 Ų | 146.9 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | | | trans | -74.2 | 161.3 | -179.8 | -62.5 | -70.2 | 0 | 0 | 0 | 113.9 | | |
| 403 | L | 41.4 | Very low | 43.4 | Very low | 172 Ų | 172 | 151.2 Ų | 151.2 | 90% | 0.901 | 81% | 0.81 | S | S | * | * | | | | -162.6 | 159 | 119 | -103.4 | 162.3 | 0 | 0 | 0 | 111.4 | | |
| 404 | L | 45.5 | Very low | 43.9 | Very low | 139 Ų | 139 | 150.5 Ų | 150.5 | 73% | 0.728 | 81% | 0.813 | S | S | * | * | | | trans | -101.9 | 174.1 | -171.1 | -73.1 | 71.7 | 0 | 0 | 0 | 112.3 | | |
| 405 | Q | 49.1 | Very low | 43.8 | Very low | 170 Ų | 170 | 153.7 Ų | 153.7 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | | | trans | 78.8 | 94.4 | 157.4 | -50.4 | 177.2 | 29.1 | 0 | 0 | 118.6 | | |
| 406 | H | 44.2 | Very low | 43.9 | Very low | 205 Ų | 205 | 151.3 Ų | 151.3 | 95% | 0.949 | 82% | 0.823 | S | S | * | * | | | trans | -135.7 | 150.1 | 138.8 | -81 | -67.1 | 0 | 0 | 0 | 111 | | |
| 407 | R | 45.6 | Very low | 43.3 | Very low | 237 Ų | 237 | 149 Ų | 149 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 152.5 | -172.6 | -66.7 | 177.4 | 172.4 | 106.8 | -3.2 | 111.4 | | |
| 408 | P | 48.3 | Very low | 42.8 | Very low | 115 Ų | 115 | 148 Ų | 148 | 75% | 0.747 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 141.7 | 171 | 28.7 | -34.8 | 0 | 0 | 0 | 111.1 | | |
| 409 | P | 53.8 | Low | 42.4 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 81% | 0.805 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 144.7 | 177.7 | 30.7 | -34.6 | 0 | 0 | 0 | 111.9 | | |
| 410 | L | 42.3 | Very low | 41.6 | Very low | 175 Ų | 175 | 149 Ų | 149 | 92% | 0.916 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 124.2 | 173.2 | -65.7 | 172.7 | 0 | 0 | 0 | 110.1 | | |
| 411 | L | 43.7 | Very low | 41 | Very low | 165 Ų | 165 | 145.6 Ų | 145.6 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 123.1 | 169.1 | -75.8 | 169.2 | 0 | 0 | 0 | 110 | | |
| 412 | A | 36.9 | Very low | 40.2 | Very low | 100 Ų | 100 | 142.5 Ų | 142.5 | 83% | 0.826 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 137.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 413 | F | 39.6 | Very low | 39.6 | Very low | 195 Ų | 195 | 143.1 Ų | 143.1 | 86% | 0.855 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 138.2 | 168.9 | -76.5 | -90.3 | 0 | 0 | 0 | 110.5 | | |
| 414 | P | 43.9 | Very low | 39.1 | Very low | 125 Ų | 125 | 138 Ų | 138 | 81% | 0.812 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 135.2 | 174.9 | 30 | -33.8 | 0 | 0 | 0 | 111.1 | | |
| 415 | Q | 37.5 | Very low | 38.5 | Very low | 188 Ų | 188 | 137.3 Ų | 137.3 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 137.3 | 176.3 | -70 | -169.3 | -28.2 | 0 | 0 | 112.1 | | |
| 416 | P | 36.8 | Very low | 37.7 | Very low | 131 Ų | 131 | 136.9 Ų | 136.9 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 128.4 | 162.1 | 32 | -30.9 | 0 | 0 | 0 | 109.9 | | |
| 417 | A | 32.1 | Very low | 37.1 | Very low | 108 Ų | 108 | 132.2 Ų | 132.2 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 139.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 418 | A | 29.8 | Very low | 36.4 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | | | trans | -132.5 | 141.7 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 419 | A | 31.8 | Very low | 35.7 | Very low | 104 Ų | 104 | 130.8 Ų | 130.8 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | | | trans | -97.4 | 146.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 420 | S | 32.4 | Very low | 34.5 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | | 150.5 | 130.3 | 116.8 | -170.3 | 0 | 0 | 0 | 0 | 113.6 | | |
| 421 | S | 33.5 | Very low | 34 | Very low | 121 Ų | 121 | 128 Ų | 128 | 85% | 0.846 | 80% | 0.802 | S | S | * | * | | | trans | 52.1 | 133.7 | 150.5 | -155.4 | 0 | 0 | 0 | 0 | 120.5 | | |
| 422 | G | 32.3 | Very low | 33.5 | Very low | 59 Ų | 59 | 125.2 Ų | 125.2 | 61% | 0.608 | 80% | 0.797 | S | S | * | * | | | cis | 162.5 | -179.7 | 1.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 423 | V | 31.8 | Very low | 33.3 | Very low | 153 Ų | 153 | 124 Ų | 124 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | | | trans | 68.7 | 128.5 | -174.8 | -166.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 424 | G | 31.1 | Very low | 33 | Very low | 65 Ų | 65 | 124 Ų | 124 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | | | cis | 167.1 | -174.8 | -7.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 425 | V | 32 | Very low | 32.5 | Very low | 123 Ų | 123 | 123.2 Ų | 123.2 | 75% | 0.745 | 78% | 0.78 | S | S | * | * | | | trans | 74.4 | 89.4 | 158.9 | -169.9 | 0 | 0 | 0 | 0 | 118.6 | | |
| 426 | Q | 31.6 | Very low | 32.3 | Very low | 162 Ų | 162 | 122.5 Ų | 122.5 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | | | | 83.1 | 148.4 | 129.2 | -69.6 | -173 | 19.6 | 0 | 0 | 124.7 | | |
| 427 | N | 32 | Very low | 32 | Very low | 107 Ų | 107 | 121.7 Ų | 121.7 | 57% | 0.572 | 77% | 0.769 | S | S | * | * | | | trans | 75 | 112.2 | 152.3 | -65.3 | -31.1 | 0 | 0 | 0 | 117.4 | | |
| 428 | K | 31.8 | Very low | 32.1 | Very low | 184 Ų | 184 | 121.2 Ų | 121.2 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | | | | 73.6 | 131.3 | 84.5 | -72.3 | 173.9 | -170.1 | 171.7 | 0 | 111.5 | | |
| 429 | T | 32.7 | Very low | 32.1 | Very low | 138 Ų | 138 | 122.4 Ų | 122.4 | 85% | 0.847 | 76% | 0.756 | S | S | * | * | | | cis | -133.4 | 169.1 | 13.4 | 43.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 430 | S | 29.1 | Very low | 32.1 | Very low | 110 Ų | 110 | 121.3 Ų | 121.3 | 77% | 0.769 | 75% | 0.747 | S | S | * | * | | | trans | -111.4 | 144.5 | 175.3 | 56.8 | 0 | 0 | 0 | 0 | 112.6 | | |
| 431 | T | 31.3 | Very low | 32 | Very low | 129 Ų | 129 | 122.6 Ų | 122.6 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | | | trans | -145 | 105.2 | 158.5 | 16.4 | 0 | 0 | 0 | 0 | 107 | | |
| 432 | S | 33.3 | Very low | 31.9 | Very low | 107 Ų | 107 | 120.9 Ų | 120.9 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | | | | 95.4 | 139.6 | 75.9 | 70.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 433 | A | 33.3 | Very low | 31.7 | Very low | 76 Ų | 76 | 126.9 Ų | 126.9 | 63% | 0.628 | 76% | 0.755 | S | S | * | * | | | cis | -159 | 151.7 | 14.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 434 | K | 32.9 | Very low | 31.4 | Very low | 195 Ų | 195 | 123.7 Ų | 123.7 | 85% | 0.848 | 75% | 0.745 | S | S | * | * | | | trans | 68 | 156.1 | 149.5 | -62.2 | 164.7 | -177.5 | 178.2 | 0 | 116.2 | | |
| 435 | T | 32.4 | Very low | 31.2 | Very low | 108 Ų | 108 | 125.4 Ų | 125.4 | 66% | 0.663 | 75% | 0.747 | S | S | * | * | | | cis | -148.3 | 124.5 | 24.7 | -48.6 | 0 | 0 | 0 | 0 | 113 | | |
| 436 | Q | 33.7 | Very low | 31 | Very low | 173 Ų | 173 | 125.5 Ų | 125.5 | 81% | 0.808 | 75% | 0.748 | S | S | * | * | | | trans | 47.5 | 158.3 | 145.6 | -51.3 | 167.4 | -28.1 | 0 | 0 | 120.2 | | |
| 437 | T | 31.3 | Very low | 30.8 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | | | cis | -154.9 | 153.7 | 9.7 | -26.8 | 0 | 0 | 0 | 0 | 110.6 | | |
| 438 | S | 33.5 | Very low | 30.6 | Very low | 97 Ų | 97 | 122.1 Ų | 122.1 | 68% | 0.678 | 75% | 0.75 | S | S | * | * | | | trans | 47 | 140.4 | 147.8 | 53.3 | 0 | 0 | 0 | 0 | 121.7 | | |
| 439 | T | 30.6 | Very low | 30.4 | Very low | 131 Ų | 131 | 118.7 Ų | 118.7 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | | | cis | -162.8 | 158.6 | 10.3 | 1.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 440 | A | 31.5 | Very low | 30.1 | Very low | 82 Ų | 82 | 116.4 Ų | 116.4 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | trans | 29.7 | 139 | 142.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 441 | T | 30.9 | Very low | 30.1 | Very low | 140 Ų | 140 | 116.9 Ų | 116.9 | 86% | 0.859 | 75% | 0.748 | S | S | * | * | | | cis | -161.6 | 170.4 | 0.9 | 5.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 442 | A | 29.9 | Very low | 30.2 | Very low | 85 Ų | 85 | 115.1 Ų | 115.1 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | | | trans | -66 | 174.4 | 164.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 443 | Q | 28.6 | Very low | 30.2 | Very low | 185 Ų | 185 | 116.6 Ų | 116.6 | 86% | 0.864 | 74% | 0.74 | S | S | * | * | | | cis | -151.9 | -174.9 | 34.8 | -61.3 | 177.1 | -75 | 0 | 0 | 113.6 | | |
| 444 | A | 25.9 | Very low | 30 | Very low | 87 Ų | 87 | 119.1 Ų | 119.1 | 72% | 0.719 | 75% | 0.748 | S | S | * | * | | | trans | -5.9 | 153.5 | 146.9 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 445 | S | 27.1 | Very low | 29.6 | Very low | 100 Ų | 100 | 114.4 Ų | 114.4 | 70% | 0.699 | 74% | 0.739 | S | S | * | * | | | | -166.1 | 153.1 | 59.3 | -57.3 | 0 | 0 | 0 | 0 | 116.4 | | |
| 446 | T | 27.5 | Very low | 29.2 | Very low | 126 Ų | 126 | 115.2 Ų | 115.2 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | trans | 32.9 | 138.2 | 138.9 | 63.5 | 0 | 0 | 0 | 0 | 123.3 | | |
| 447 | S | 26.7 | Very low | 28.8 | Very low | 96 Ų | 96 | 111.3 Ų | 111.3 | 67% | 0.671 | 74% | 0.736 | S | S | * | * | | | | 74.3 | 109.2 | 128.6 | 68.5 | 0 | 0 | 0 | 0 | 122 | | |
| 448 | S | 28 | Very low | 28.7 | Very low | 101 Ų | 101 | 113.7 Ų | 113.7 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | | 74.3 | 114.4 | 116.9 | 72.7 | 0 | 0 | 0 | 0 | 122.1 | | |
| 449 | S | 28.3 | Very low | 28.2 | Very low | 113 Ų | 113 | 114.2 Ų | 114.2 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | | | | 55 | 128.8 | 126.7 | 66.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 450 | A | 27.2 | Very low | 27.9 | Very low | 90 Ų | 90 | 111.3 Ų | 111.3 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | | | | -162.5 | 163.1 | 125.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 451 | S | 28.4 | Very low | 27.8 | Very low | 120 Ų | 120 | 112.8 Ų | 112.8 | 84% | 0.839 | 75% | 0.749 | S | S | * | * | | | trans | 66.8 | 136.5 | 171.7 | 73.3 | 0 | 0 | 0 | 0 | 117.6 | | |
| 452 | S | 32.8 | Very low | 27.7 | Very low | 92 Ų | 92 | 115.2 Ų | 115.2 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | | | cis | -156.1 | 160.5 | -10.2 | 47.5 | 0 | 0 | 0 | 0 | 111.7 | | |
| 453 | N | 33 | Very low | 27.6 | Very low | 137 Ų | 137 | 119.8 Ų | 119.8 | 73% | 0.733 | 75% | 0.754 | S | S | * | * | | | trans | 65.5 | 109.9 | 165.4 | -51.8 | -17 | 0 | 0 | 0 | 115.3 | | |
| 454 | V | 29 | Very low | 27.8 | Very low | 129 Ų | 129 | 117 Ų | 117 | 78% | 0.782 | 76% | 0.755 | S | S | * | * | | | | 51 | 128 | 50.3 | -34.8 | 0 | 0 | 0 | 0 | 113 | | |
| 455 | S | 24.9 | Very low | 28 | Very low | 96 Ų | 96 | 118.2 Ų | 118.2 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | | | cis | -137.4 | 146.2 | 11.3 | -50.1 | 0 | 0 | 0 | 0 | 108.7 | | |
| 456 | T | 24.6 | Very low | 28 | Very low | 126 Ų | 126 | 117.4 Ų | 117.4 | 77% | 0.773 | 77% | 0.766 | S | S | * | * | | | | 40.3 | 133.7 | 68.2 | 55 | 0 | 0 | 0 | 0 | 114.7 | | |
| 457 | S | 25.5 | Very low | 28.1 | Very low | 90 Ų | 90 | 115 Ų | 115 | 63% | 0.629 | 77% | 0.766 | S | S | * | * | | | cis | -175.5 | 178.6 | -11.6 | 45.3 | 0 | 0 | 0 | 0 | 108.4 | | |
| 458 | L | 27.8 | Very low | 28.4 | Very low | 165 Ų | 165 | 116.7 Ų | 116.7 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | | | trans | 71.2 | 168.5 | 164.1 | -55.7 | 166.5 | 0 | 0 | 0 | 116.5 | | |
| 459 | S | 24.6 | Very low | 28.5 | Very low | 108 Ų | 108 | 117 Ų | 117 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | cis | 176.9 | 131.6 | -40.6 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 460 | G | 24.3 | Very low | 28.6 | Very low | 70 Ų | 70 | 118.9 Ų | 118.9 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | | | trans | 71.1 | 163.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 461 | S | 29.6 | Very low | 28.8 | Very low | 112 Ų | 112 | 121.2 Ų | 121.2 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | | | cis | -137.3 | 158 | -6.8 | -78 | 0 | 0 | 0 | 0 | 108.4 | | |
| 462 | K | 28.3 | Very low | 28.9 | Very low | 192 Ų | 192 | 120.2 Ų | 120.2 | 84% | 0.835 | 75% | 0.752 | S | S | * | * | | | | 23.9 | 141.3 | 102.8 | -49.2 | -173.2 | 172.9 | -177.2 | 0 | 115.1 | | |
| 463 | E | 26.8 | Very low | 29.1 | Very low | 181 Ų | 181 | 122.1 Ų | 122.1 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | | | cis | -149.5 | 167.3 | 37.9 | -69.9 | 175.2 | 123.2 | 0 | 0 | 114.8 | | |
| 464 | S | 32.8 | Very low | 29.2 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 88% | 0.881 | 75% | 0.749 | S | S | * | * | | | trans | 67.4 | 142 | 165.6 | -102.8 | 0 | 0 | 0 | 0 | 119.1 | | |
| 465 | S | 30.3 | Very low | 29.2 | Very low | 113 Ų | 113 | 123.1 Ų | 123.1 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | | | cis | -155.3 | 159.9 | 1 | 63.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 466 | G | 27.6 | Very low | 29.7 | Very low | 83 Ų | 83 | 128.7 Ų | 128.7 | 86% | 0.856 | 75% | 0.75 | S | S | * | * | | | trans | 98.9 | 124.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 467 | G | 29.7 | Very low | 30 | Very low | 75 Ų | 75 | 128.5 Ų | 128.5 | 77% | 0.773 | 75% | 0.745 | S | S | * | * | | | trans | 114.9 | 89 | 150.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 468 | T | 32.3 | Very low | 30.3 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 81% | 0.81 | 75% | 0.746 | S | S | * | * | | | trans | 34.4 | 109.7 | 150.1 | 54.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 469 | S | 29.9 | Very low | 30.5 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 76% | 0.755 | 75% | 0.748 | S | S | * | * | | | | 65.4 | 129.5 | 68.7 | -57.6 | 0 | 0 | 0 | 0 | 114.2 | | |
| 470 | Q | 31.7 | Very low | 31 | Very low | 151 Ų | 151 | 133.2 Ų | 133.2 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | | | cis | -164.5 | 140.4 | -2.8 | -135.1 | 178.2 | -20.3 | 0 | 0 | 111.1 | | |
| 471 | Q | 30.3 | Very low | 31.4 | Very low | 140 Ų | 140 | 133.3 Ų | 133.3 | 65% | 0.654 | 76% | 0.757 | S | S | * | * | | | trans | 55.4 | 152.3 | 140.5 | -77.8 | -175.9 | -82.7 | 0 | 0 | 121 | | |
| 472 | D | 31.6 | Very low | 32.6 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 52% | 0.524 | 76% | 0.759 | S | S | . | * | | | cis | -165.7 | 172.2 | 15.2 | -135.9 | -1.8 | 0 | 0 | 0 | 116.2 | | |
| 473 | K | 36.1 | Very low | 33.2 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 57% | 0.574 | 76% | 0.755 | S | S | * | * | | | trans | 84.4 | 118.5 | 140.8 | -78.2 | 173.2 | 176.8 | 95.3 | 0 | 125.5 | | |
| 474 | Y | 35.3 | Very low | 34.1 | Very low | 192 Ų | 192 | 127 Ų | 127 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | | | trans | 62.3 | 153.1 | 131.7 | -55.8 | -29.8 | 0 | 0 | 0 | 120.7 | | |
| 475 | S | 30.1 | Very low | 34.1 | Very low | 96 Ų | 96 | 124.9 Ų | 124.9 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | | | cis | -153.4 | 140.8 | -19.2 | -98.1 | 0 | 0 | 0 | 0 | 106.5 | | |
| 476 | R | 33.8 | Very low | 34.3 | Very low | 213 Ų | 213 | 127.5 Ų | 127.5 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | | 69.4 | 128.3 | 72.3 | -139.1 | -166.3 | -170.8 | -158.1 | 6.8 | 114.3 | | |
| 477 | D | 32.5 | Very low | 34.7 | Very low | 122 Ų | 122 | 134 Ų | 134 | 65% | 0.652 | 76% | 0.757 | S | S | * | * | | | trans | 75.6 | 153.8 | 161.2 | -64.1 | -50 | 0 | 0 | 0 | 121.2 | | |
| 478 | S | 31.7 | Very low | 34.9 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 66% | 0.664 | 75% | 0.753 | S | S | * | * | | | cis | 177.3 | 113.5 | -37.8 | -96.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 479 | Q | 31.9 | Very low | 35 | Very low | 194 Ų | 194 | 138.1 Ų | 138.1 | 91% | 0.907 | 75% | 0.752 | S | S | * | * | | | trans | -171.1 | 127.3 | 143.4 | -110.9 | 166.8 | -2.6 | 0 | 0 | 116.2 | | |
| 480 | L | 34.9 | Very low | 35.2 | Very low | 172 Ų | 172 | 137.5 Ų | 137.5 | 90% | 0.901 | 75% | 0.748 | S | S | * | * | | | trans | -19.8 | 150.1 | 149.5 | -43 | 171.1 | 0 | 0 | 0 | 115.7 | | |
| 481 | G | 32.7 | Very low | 35.4 | Very low | 73 Ų | 73 | 137.1 Ų | 137.1 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | | | cis | 150.7 | -173.7 | 5.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 482 | P | 53.8 | Low | 35.7 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 83% | 0.831 | 75% | 0.747 | S | S | * | * | | | cis | -131.9 | -174.1 | -21.6 | 42.3 | -26.4 | 0 | 0 | 0 | 114 | | |
| 483 | A | 40.9 | Very low | 35.9 | Very low | 91 Ų | 91 | 136.9 Ų | 136.9 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | | | trans | 75.8 | 168.2 | 161.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 484 | P | 45.1 | Very low | 36.6 | Very low | 133 Ų | 133 | 136.1 Ų | 136.1 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | | | | -130.7 | 152.4 | -84.3 | 36.5 | -20.6 | 0 | 0 | 0 | 115.7 | | |
| 485 | G | 33.4 | Very low | 36.7 | Very low | 82 Ų | 82 | 135 Ų | 135 | 85% | 0.845 | 78% | 0.776 | S | S | * | * | | | trans | -162.8 | 105.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 486 | L | 35.8 | Very low | 37.3 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | -84.6 | 157.9 | 173.3 | -69 | 172.6 | 0 | 0 | 0 | 110.5 | | |
| 487 | R | 35.2 | Very low | 37.8 | Very low | 220 Ų | 220 | 131.9 Ų | 131.9 | 83% | 0.83 | 78% | 0.781 | S | S | * | * | | | cis | -174.8 | 137.3 | -6.7 | 158.8 | -179.3 | -171.3 | 156.9 | 3.1 | 110.9 | | |
| 488 | A | 34.7 | Very low | 38 | Very low | 83 Ų | 83 | 131.5 Ų | 131.5 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | | | trans | 61.2 | 151.2 | 162.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | | |
| 489 | R | 33.2 | Very low | 38.1 | Very low | 210 Ų | 210 | 131.6 Ų | 131.6 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | | | cis | 66.7 | 129 | 31.3 | -56.9 | -179.9 | 72.1 | 163.2 | -0.6 | 111.4 | | |
| 490 | S | 35.3 | Very low | 38.1 | Very low | 96 Ų | 96 | 131.6 Ų | 131.6 | 67% | 0.671 | 79% | 0.786 | S | S | * | * | | | | -171.3 | 145.4 | 55.7 | 44.5 | 0 | 0 | 0 | 0 | 114.5 | | |
| 491 | H | 35.9 | Very low | 37.9 | Very low | 143 Ų | 143 | 128.5 Ų | 128.5 | 66% | 0.662 | 78% | 0.779 | S | S | * | * | | | trans | 46.7 | 153 | 131.4 | -48.5 | -48.3 | 0 | 0 | 0 | 123 | | |
| 492 | S | 35 | Very low | 37.8 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | | | cis | 170.2 | 163.1 | -33.7 | -91.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 493 | T | 36.2 | Very low | 36.7 | Very low | 136 Ų | 136 | 130 Ų | 130 | 83% | 0.834 | 78% | 0.775 | S | S | * | * | | | trans | 83.3 | 160.8 | 161.7 | 79 | 0 | 0 | 0 | 0 | 119 | | |
| 494 | P | 51 | Low | 37.1 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | cis | -127.7 | 171.3 | -6.3 | 38.6 | -23 | 0 | 0 | 0 | 116 | | |
| 495 | L | 36.7 | Very low | 36.4 | Very low | 167 Ų | 167 | 133.8 Ų | 133.8 | 87% | 0.874 | 77% | 0.774 | S | S | * | * | | | trans | -146.4 | 164.2 | 158.5 | -95.7 | -178 | 0 | 0 | 0 | 109.1 | | |
| 496 | P | 43.5 | Very low | 36.3 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 166 | -155.3 | 28.3 | -36.2 | 0 | 0 | 0 | 117 | | |
| 497 | P | 44.7 | Very low | 36.2 | Very low | 133 Ų | 133 | 133.8 Ų | 133.8 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 156.3 | -167.5 | 31.4 | -37.3 | 0 | 0 | 0 | 115.6 | | |
| 498 | S | 35.7 | Very low | 36 | Very low | 114 Ų | 114 | 131.7 Ų | 131.7 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 167.3 | 176.2 | -179.6 | 0 | 0 | 0 | 0 | 112.5 | | |
| 499 | S | 35.2 | Very low | 36.1 | Very low | 97 Ų | 97 | 136.2 Ų | 136.2 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | trans | -144.8 | 114.7 | 164.7 | -89.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 500 | K | 31.2 | Very low | 36.1 | Very low | 194 Ų | 194 | 135 Ų | 135 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | | | trans | 59 | 112.1 | 140 | -52.1 | 169.7 | -172.3 | 176.9 | 0 | 117.9 | | |
| 501 | S | 30.2 | Very low | 36.2 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | | 172.9 | 123.2 | 90 | -168 | 0 | 0 | 0 | 0 | 113.8 | | |
| 502 | T | 31 | Very low | 36.5 | Very low | 134 Ų | 134 | 138.3 Ų | 138.3 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | | | trans | 51.2 | 150.9 | 150 | -148 | 0 | 0 | 0 | 0 | 122.8 | | |
| 503 | S | 31.3 | Very low | 36.7 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | | | trans | -148.1 | 150.2 | 173.4 | 174.1 | 0 | 0 | 0 | 0 | 107.6 | | |
| 504 | P | 49.7 | Very low | 36.6 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | | -144.1 | 133.5 | 117.8 | 32.9 | -16.7 | 0 | 0 | 0 | 115.9 | | |
| 505 | F | 29.4 | Very low | 35.9 | Very low | 185 Ų | 185 | 150 Ų | 150 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | | | | 48.4 | 108.1 | 127.4 | -123.8 | -106.2 | 0 | 0 | 0 | 119.9 | | |
| 506 | S | 31.1 | Very low | 36 | Very low | 100 Ų | 100 | 147.9 Ų | 147.9 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | | | | 163.3 | 172.5 | 90.4 | -155.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 507 | H | 34.5 | Very low | 35.6 | Very low | 149 Ų | 149 | 147.2 Ų | 147.2 | 69% | 0.69 | 79% | 0.791 | S | S | * | * | | | trans | -70.2 | 145.7 | -169.8 | -61.2 | -102.3 | 0 | 0 | 0 | 115.5 | | |
| 508 | H | 31.5 | Very low | 35 | Very low | 176 Ų | 176 | 148.4 Ų | 148.4 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | | | | 179.7 | 154.3 | 95.3 | -98.4 | -78 | 0 | 0 | 0 | 113.3 | | |
| 509 | H | 36.7 | Very low | 35 | Very low | 177 Ų | 177 | 152.4 Ų | 152.4 | 82% | 0.819 | 78% | 0.784 | S | S | * | * | | | trans | -87.2 | 139.8 | 171.5 | -61.3 | -85.1 | 0 | 0 | 0 | 111.5 | | |
| 510 | H | 32.2 | Very low | 35 | Very low | 185 Ų | 185 | 155.6 Ų | 155.6 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | trans | -150.9 | 156.9 | 149.8 | -85.3 | -54.7 | 0 | 0 | 0 | 112.4 | | |
| 511 | H | 37.1 | Very low | 35.2 | Very low | 182 Ų | 182 | 153.5 Ų | 153.5 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | | | trans | -83.2 | 152.5 | -177.7 | -58.5 | -94.9 | 0 | 0 | 0 | 112.9 | | |
| 512 | P | 42.5 | Very low | 35.4 | Very low | 127 Ų | 127 | 159.3 Ų | 159.3 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | trans | -108 | 85.3 | 160.9 | 36.4 | -27.8 | 0 | 0 | 0 | 112.1 | | |
| 513 | H | 38.6 | Very low | 35.6 | Very low | 178 Ų | 178 | 164.4 Ų | 164.4 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | trans | -119.3 | 100.4 | 151.4 | -89.4 | -36.4 | 0 | 0 | 0 | 108.4 | | |
| 514 | H | 33.9 | Very low | 35.7 | Very low | 193 Ų | 193 | 167.8 Ų | 167.8 | 89% | 0.894 | 79% | 0.794 | S | S | * | * | | | trans | -168.5 | 145.4 | 135.6 | -101.6 | -67.2 | 0 | 0 | 0 | 110.7 | | |
| 515 | R | 37.3 | Very low | 35.1 | Very low | 222 Ų | 222 | 168.1 Ų | 168.1 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | | | trans | -113.2 | 115.8 | 175.9 | 172.8 | -167.8 | -178.1 | -162.8 | 4.5 | 108.6 | | |
| 516 | P | 39.6 | Very low | 35.3 | Very low | 123 Ų | 123 | 165.1 Ų | 165.1 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | trans | -73.1 | 154.7 | 163.9 | -19.2 | 34 | 0 | 0 | 0 | 111.9 | | |
| 517 | S | 35.1 | Very low | 35.4 | Very low | 97 Ų | 97 | 172.2 Ų | 172.2 | 68% | 0.678 | 80% | 0.8 | S | S | * | * | | | trans | -142.4 | 91.3 | 179.3 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | | |
| 518 | H | 31.8 | Very low | 35.3 | Very low | 158 Ų | 158 | 168.4 Ų | 168.4 | 73% | 0.731 | 80% | 0.802 | S | S | * | * | | | trans | -160 | 140.9 | 158.3 | -109 | -85.5 | 0 | 0 | 0 | 106.7 | | |
| 519 | Y | 34.8 | Very low | 35.3 | Very low | 199 Ų | 199 | 167.9 Ų | 167.9 | 78% | 0.78 | 81% | 0.805 | S | S | * | * | | | cis | 79.1 | 58.6 | 21.3 | -126.3 | -70.3 | 0 | 0 | 0 | 115.8 | | |
| 520 | H | 36 | Very low | 35 | Very low | 163 Ų | 163 | 164.9 Ų | 164.9 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | | | trans | -117.3 | 109.4 | 154.3 | -70 | -82.4 | 0 | 0 | 0 | 107.6 | | |
| 521 | H | 35.3 | Very low | 35.7 | Very low | 150 Ų | 150 | 162.1 Ų | 162.1 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | | | | 83.2 | 98.6 | 78.8 | -89 | 85.8 | 0 | 0 | 0 | 113.2 | | |
| 522 | Y | 34.3 | Very low | 35.5 | Very low | 231 Ų | 231 | 157.9 Ų | 157.9 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | | | trans | -56.4 | 139.6 | 151.7 | -86.6 | -107.5 | 0 | 0 | 0 | 109.6 | | |
| 523 | R | 34.5 | Very low | 35.4 | Very low | 241 Ų | 241 | 157.5 Ų | 157.5 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | | | trans | -143.6 | 158.9 | 144.7 | -108.4 | -176.2 | -172.1 | -122.7 | 1.2 | 110.5 | | |
| 524 | K | 33.5 | Very low | 35 | Very low | 168 Ų | 168 | 155.3 Ų | 155.3 | 73% | 0.73 | 80% | 0.795 | S | S | * | * | | | trans | -73.7 | 155 | -172.2 | -46.8 | 171.1 | -178.1 | 178.9 | 0 | 111.7 | D526 | K524-D526 WeakPolarHBondContact CD-OD2 3.5Å; K524-D526 IonicContact NZ-OD2 3.13Å |
| 525 | P | 38.5 | Very low | 35 | Very low | 127 Ų | 127 | 155.5 Ų | 155.5 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -79.5 | 115.4 | 146.7 | 32.7 | -26.5 | 0 | 0 | 0 | 109 | | |
| 526 | D | 32.5 | Very low | 34.7 | Very low | 122 Ų | 122 | 150.6 Ų | 150.6 | 65% | 0.652 | 79% | 0.793 | S | S | * | * | | | trans | -118.1 | 161.1 | 160.4 | -92.6 | -57.6 | 0 | 0 | 0 | 108.2 | K524 | K524-D526 WeakPolarHBondContact CD-OD2 3.5Å; K524-D526 IonicContact NZ-OD2 3.13Å |
| 527 | R | 34.1 | Very low | 34.2 | Very low | 248 Ų | 248 | 149.8 Ų | 149.8 | 94% | 0.936 | 79% | 0.79 | S | S | * | * | | | trans | -60.2 | 146.4 | -156.8 | -59.8 | 170 | -177.7 | -178.1 | -1.9 | 114.7 | | |
| 528 | G | 31.2 | Very low | 34.2 | Very low | 70 Ų | 70 | 149.3 Ų | 149.3 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | | | trans | -81 | -170 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 529 | D | 31.2 | Very low | 34.2 | Very low | 165 Ų | 165 | 150.1 Ų | 150.1 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | | | trans | -162.5 | 135.1 | 153.1 | -110.7 | -28.9 | 0 | 0 | 0 | 110.6 | | |
| 530 | S | 31.7 | Very low | 34 | Very low | 114 Ų | 114 | 146 Ų | 146 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | trans | -173.6 | 149.8 | 160.2 | -83.2 | 0 | 0 | 0 | 0 | 109.1 | | |
| 531 | P | 47.2 | Very low | 33.8 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -88.8 | 159.8 | -139.6 | 32.2 | -37.7 | 0 | 0 | 0 | 117 | | |
| 532 | A | 32.7 | Very low | 33.8 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | trans | -73.9 | 159.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 533 | P | 40.1 | Very low | 33.9 | Very low | 119 Ų | 119 | 139.3 Ų | 139.3 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | | -127.8 | 171.1 | 85.2 | 40.3 | -32.1 | 0 | 0 | 0 | 111.7 | | |
| 534 | T | 29.1 | Very low | 33.8 | Very low | 132 Ų | 132 | 131.8 Ų | 131.8 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | | | cis | -144.9 | -172.2 | 31.6 | 50.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 535 | K | 34.8 | Very low | 33.8 | Very low | 197 Ų | 197 | 129.5 Ų | 129.5 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | | | trans | -137.3 | 162.2 | 172.2 | -93.7 | -171.9 | 176.3 | -178.7 | 0 | 111.7 | | |
| 536 | S | 31.2 | Very low | 33.5 | Very low | 120 Ų | 120 | 129 Ų | 129 | 84% | 0.839 | 77% | 0.768 | S | S | * | * | | | trans | 72.8 | 151.8 | 174.6 | 82.6 | 0 | 0 | 0 | 0 | 115.2 | | |
| 537 | S | 29.8 | Very low | 33.6 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 73% | 0.734 | 77% | 0.774 | S | S | * | * | | | cis | -152.3 | 172 | 3.8 | -156.5 | 0 | 0 | 0 | 0 | 113.5 | | |
| 538 | S | 33.2 | Very low | 33.6 | Very low | 87 Ų | 87 | 125.2 Ų | 125.2 | 61% | 0.608 | 77% | 0.766 | S | S | * | * | | | trans | 58.4 | 117.5 | 147 | 56 | 0 | 0 | 0 | 0 | 123.7 | | |
| 539 | Q | 33.1 | Very low | 33.7 | Very low | 175 Ų | 175 | 130.9 Ų | 130.9 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | | 72 | 141.4 | 123.9 | -65.6 | 174.9 | -26.4 | 0 | 0 | 123.3 | | |
| 540 | S | 29.4 | Very low | 34 | Very low | 112 Ų | 112 | 129 Ų | 129 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | | | trans | 64.5 | 153.5 | 149.8 | 54.3 | 0 | 0 | 0 | 0 | 119.2 | | |
| 541 | S | 32 | Very low | 34 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 66% | 0.657 | 77% | 0.766 | S | S | * | * | | | cis | -166.7 | -180 | -19.3 | 51.2 | 0 | 0 | 0 | 0 | 110 | | |
| 542 | N | 35.8 | Very low | 33.3 | Very low | 139 Ų | 139 | 127.5 Ų | 127.5 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | | | trans | 10 | 145.8 | 138.7 | -51.8 | -18.8 | 0 | 0 | 0 | 118.6 | | |
| 543 | Q | 35.7 | Very low | 33.5 | Very low | 171 Ų | 171 | 130 Ų | 130 | 80% | 0.799 | 77% | 0.767 | S | S | * | * | | | cis | -169.7 | 158 | 8.8 | -133.5 | -176.6 | 37.5 | 0 | 0 | 109.9 | | |
| 544 | A | 33 | Very low | 33.3 | Very low | 84 Ų | 84 | 128.1 Ų | 128.1 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | | | trans | 55 | -170.4 | 154.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 545 | T | 33.3 | Very low | 34.2 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | | | cis | -147.5 | 126.2 | -9.8 | -15.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 546 | V | 33.3 | Very low | 34.4 | Very low | 116 Ų | 116 | 131 Ų | 131 | 70% | 0.703 | 77% | 0.773 | S | S | * | * | | | | 62.2 | 154.3 | 124.9 | 173.4 | 0 | 0 | 0 | 0 | 121.7 | | |
| 547 | Q | 34.8 | Very low | 35 | Very low | 168 Ų | 168 | 128.4 Ų | 128.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | | | trans | 76.1 | 84 | 164.2 | -84.9 | 160.3 | 41.4 | 0 | 0 | 119.9 | | |
| 548 | T | 33.8 | Very low | 35.6 | Very low | 123 Ų | 123 | 133.8 Ų | 133.8 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | | | | 7.9 | 120.6 | 114.8 | -36.3 | 0 | 0 | 0 | 0 | 118 | | |
| 549 | Q | 32.4 | Very low | 36 | Very low | 189 Ų | 189 | 135.4 Ų | 135.4 | 88% | 0.883 | 79% | 0.786 | S | S | * | * | | | | -170.8 | 172.9 | 115.2 | -103.9 | 169.9 | 104.2 | 0 | 0 | 113.4 | | |
| 550 | T | 37 | Very low | 36.2 | Very low | 126 Ų | 126 | 133 Ų | 133 | 77% | 0.773 | 78% | 0.784 | S | S | * | * | | | trans | -98.9 | 142.2 | -166.8 | 52.1 | 0 | 0 | 0 | 0 | 113.6 | | |
| 551 | S | 31.9 | Very low | 36.9 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | | 158 | 158.4 | 108.8 | 59.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 552 | S | 33.8 | Very low | 37.5 | Very low | 102 Ų | 102 | 137.7 Ų | 137.7 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | | | trans | 74.1 | 126.8 | 158 | 72.9 | 0 | 0 | 0 | 0 | 121.2 | | |
| 553 | T | 37.1 | Very low | 38.2 | Very low | 145 Ų | 145 | 138 Ų | 138 | 89% | 0.89 | 79% | 0.793 | S | S | * | * | | | trans | 53.7 | 110.3 | 151.2 | 55.8 | 0 | 0 | 0 | 0 | 121 | | |
| 554 | G | 34 | Very low | 39 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | | | trans | -168.2 | 152.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 555 | K | 48.8 | Very low | 39.9 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | | | trans | -108.3 | 170.9 | -176 | -70 | 177.2 | -178.2 | 170.3 | 0 | 112.2 | | |
| 556 | E | 39.1 | Very low | 40.9 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | | | trans | 86.9 | 154.3 | 145.5 | 94.1 | -150.8 | 138.4 | 0 | 0 | 122.3 | | |
| 557 | G | 44.7 | Very low | 41.8 | Very low | 65 Ų | 65 | 142.4 Ų | 142.4 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | | | trans | 93.5 | 67.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 558 | K | 41.3 | Very low | 43 | Very low | 218 Ų | 218 | 142.9 Ų | 142.9 | 95% | 0.948 | 80% | 0.798 | S | S | * | * | | | trans | -154.2 | 108.8 | 147.7 | -104 | 128.6 | -169.3 | 169.6 | 0 | 112.2 | | |
| 559 | S | 41.3 | Very low | 44.5 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | | | trans | -98.1 | 166.4 | -174.5 | 48.1 | 0 | 0 | 0 | 0 | 113.3 | | |
| 560 | V | 38.7 | Very low | 45.8 | Very low | 125 Ų | 125 | 135.6 Ų | 135.6 | 76% | 0.758 | 77% | 0.766 | S | S | * | * | | | trans | -91.7 | 131.1 | -166 | 176.6 | 0 | 0 | 0 | 0 | 112.8 | F562 | V560-F562 HydrophobicContact CG1-CB 4.15Š|
| 561 | S | 43.4 | Very low | 46.8 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | trans | -118.7 | 46.9 | 179.5 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 562 | F | 44.7 | Very low | 48.6 | Very low | 189 Ų | 189 | 137 Ų | 137 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | | | trans | -124.2 | 11.9 | -172.7 | -104.9 | -86.3 | 0 | 0 | 0 | 116.2 | V560 | V560-F562 HydrophobicContact CG1-CB 4.15Š|
| 563 | L | 51.1 | Low | 50.3 | Low | 145 Ų | 145 | 138 Ų | 138 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | | | trans | -109 | 22.7 | -161.7 | -112.5 | 168.5 | 0 | 0 | 0 | 116.7 | | |
| 564 | L | 50.8 | Low | 52 | Low | 171 Ų | 171 | 135.1 Ų | 135.1 | 90% | 0.895 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -124.5 | 18 | -171.3 | -90.4 | 146.9 | 0 | 0 | 0 | 115.5 | | |
| 565 | K | 52 | Low | 53.9 | Low | 207 Ų | 207 | 137.8 Ų | 137.8 | 90% | 0.9 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -132.5 | 18.7 | -179.6 | -121.1 | 149.8 | 70.3 | 176.2 | 0 | 115.6 | | |
| 566 | S | 54.4 | Low | 55.2 | Low | 86 Ų | 86 | 132 Ų | 132 | 60% | 0.601 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -97.5 | -44.2 | 177.8 | -59.7 | 0 | 0 | 0 | 0 | 113.5 | K568 G569 | S566-K568 PolarHBondContact O-N 2.82Å; S566-G569 PolarHBondContact O-N 3.34Å |
| 567 | D | 53.3 | Low | 56.9 | Low | 121 Ų | 121 | 128.9 Ų | 128.9 | 65% | 0.647 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -44.4 | -50.6 | -173.4 | -88.5 | -109.6 | 0 | 0 | 0 | 115.6 | G569 E570 W571 | D567-G569 PolarHBondContact O-N 2.92Å; D567-E570 WeakPolarHBondContact O-CB 3.47Å; D567-E570 PolarHBondContact O-N 2.94Å; D567-W571 PolarHBondContact O-N 3.41Å |
| 568 | K | 59.3 | Low | 58.8 | Low | 178 Ų | 178 | 126.9 Ų | 126.9 | 77% | 0.774 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -60.9 | -25.5 | -174.1 | -169.1 | 172.4 | -179.2 | 179.5 | 0 | 112.4 | S566 | S566-K568 PolarHBondContact O-N 2.82Å |
| 569 | G | 65.5 | Low | 60.7 | Low | 39 Ų | 39 | 122.7 Ų | 122.7 | 40% | 0.402 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -83 | -9.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | S566 D567 K573 | S566-G569 PolarHBondContact O-N 3.34Å; D567-G569 PolarHBondContact O-N 2.92Å; G569-K573 PolarHBondContact O-NZ 3.19Å |
| 570 | E | 60 | Low | 62.6 | Low | 119 Ų | 119 | 120.9 Ų | 120.9 | 56% | 0.556 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -92 | -45 | 176.2 | -175.8 | 154.3 | -140.7 | 0 | 0 | 111.1 | D567 D572 K573 D574 | D567-E570 WeakPolarHBondContact O-CB 3.47Å; D567-E570 PolarHBondContact O-N 2.94Å; E570-D572 VanDerWaalsContact C-N 3.33Å; E570-D572 PolarHBondContact O-N 3.39Å; E570-K573 WeakPolarHBondContact O-CA 3.45Å; E570-K573 WeakPolarHBondContact O-CB 3.21Å; E570-K573 PolarHBondContact O-N 3.43Å; E570-D574 PolarHBondContact O-N 2.94Å; E570-D574 VanDerWaalsContact O-N 3.12Å |
| 571 | W | 58.5 | Low | 64.6 | Low | 189 Ų | 189 | 122.6 Ų | 122.6 | 72% | 0.716 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -57.5 | -38.6 | -175.4 | -155.5 | -90.3 | 0 | 0 | 0 | 114.4 | D567 D574 R575 | D567-W571 PolarHBondContact O-N 3.41Å; W571-D574 PolarHBondContact O-N 2.98Å; W571-R575 WeakPolarHBondContact O-CB 3.25Å; W571-R575 PolarHBondContact O-N 2.83Å |
| 572 | D | 68 | Low | 66.6 | Low | 75 Ų | 75 | 120.7 Ų | 120.7 | 40% | 0.401 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -74.2 | -28 | 175.9 | -79.2 | -41.6 | 0 | 0 | 0 | 113 | E570 R575 D576 | E570-D572 VanDerWaalsContact C-N 3.33Å; E570-D572 PolarHBondContact O-N 3.39Å; D572-R575 PolarHBondContact O-N 2.84Å; D572-R575 IonicContact OD1-CZ 3.86Å; D572-R575 IonicContact OD1-NH1 2.8Å; D572-R575 PolarHBondContact OD1-NH1 3Å; D572-D576 PolarHBondContact O-N 3.18Å |
| 573 | K | 71.3 | Confident | 68.7 | Low | 122 Ų | 122 | 116 Ų | 116 | 53% | 0.53 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -67.9 | -37.5 | 172.7 | -64.8 | -171 | -175.1 | 79.5 | 0 | 111.6 | G569 E570 D576 R577 | G569-K573 PolarHBondContact O-NZ 3.19Å; E570-K573 WeakPolarHBondContact O-CA 3.45Å; E570-K573 WeakPolarHBondContact O-CB 3.21Å; E570-K573 PolarHBondContact O-N 3.43Å; K573-D576 PolarHBondContact O-N 3.28Å; K573-R577 WeakPolarHBondContact O-CD 3.37Å; K573-R577 VanDerWaalsContact O-CG 3.29Å; K573-R577 WeakPolarHBondContact O-CG 3.38Å; K573-R577 PolarHBondContact O-N 2.83Å |
| 574 | D | 72.7 | Confident | 70.4 | Confident | 84 Ų | 84 | 114.8 Ų | 114.8 | 45% | 0.449 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -75.5 | -30.9 | 176.1 | -80.8 | -6.5 | 0 | 0 | 0 | 112.8 | E570 W571 R577 G578 | E570-D574 PolarHBondContact O-N 2.94Å; E570-D574 VanDerWaalsContact O-N 3.12Å; W571-D574 PolarHBondContact O-N 2.98Å; D574-R577 PolarHBondContact O-N 3.44Å; D574-R577 VanDerWaalsContact OD1-CD 3.23Å; D574-R577 WeakPolarHBondContact OD1-CD 3.45Å; D574-R577 IonicContact OD1-CZ 2.65Å; D574-R577 IonicContact OD1-NE 2.67Å; D574-R577 IonicContact OD1-NH1 2.65Å; D574-R577 PolarHBondContact OD1-NH1 2.89Å; D574-G578 PolarHBondContact O-N 3.13Å |
| 575 | R | 73.3 | Confident | 72.2 | Confident | 135 Ų | 135 | 112.9 Ų | 112.9 | 51% | 0.509 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.7 | -43.6 | 166.9 | 177.8 | 178 | -81.3 | 142.2 | -9.1 | 111.9 | W571 D572 G578 R579 | W571-R575 WeakPolarHBondContact O-CB 3.25Å; W571-R575 PolarHBondContact O-N 2.83Å; D572-R575 PolarHBondContact O-N 2.84Å; D572-R575 IonicContact OD1-CZ 3.86Å; D572-R575 IonicContact OD1-NH1 2.8Å; D572-R575 PolarHBondContact OD1-NH1 3Å; R575-G578 PolarHBondContact O-N 3.31Å; R575-R579 WeakPolarHBondContact O-CB 3.4Å; R575-R579 PolarHBondContact O-N 2.85Å |
| 576 | D | 75.7 | Confident | 73.9 | Confident | 74 Ų | 74 | 106.7 Ų | 106.7 | 40% | 0.396 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.8 | -40.1 | 176 | -83.3 | -33.4 | 0 | 0 | 0 | 112.8 | D572 K573 G578 R579 D580 | D572-D576 PolarHBondContact O-N 3.18Å; K573-D576 PolarHBondContact O-N 3.28Å; D576-G578 VanDerWaalsContact C-N 3.3Å; D576-G578 PolarHBondContact O-N 2.94Å; D576-R579 WeakPolarHBondContact O-CB 3.35Å; D576-R579 PolarHBondContact O-N 3.48Å; D576-R579 IonicContact OD1-CZ 3.65Å; D576-R579 IonicContact OD1-NH1 2.66Å; D576-R579 PolarHBondContact OD1-NH1 3.43Å; D576-D580 PolarHBondContact O-N 3.36Å |
| 577 | R | 75.1 | Confident | 75.5 | Confident | 128 Ų | 128 | 109.6 Ų | 109.6 | 48% | 0.483 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.7 | -38.4 | 171.2 | -73.5 | 161.9 | 175.3 | 155.7 | -3.2 | 112.5 | K573 D574 R581 | K573-R577 WeakPolarHBondContact O-CD 3.37Å; K573-R577 VanDerWaalsContact O-CG 3.29Å; K573-R577 WeakPolarHBondContact O-CG 3.38Å; K573-R577 PolarHBondContact O-N 2.83Å; D574-R577 PolarHBondContact O-N 3.44Å; D574-R577 VanDerWaalsContact OD1-CD 3.23Å; D574-R577 WeakPolarHBondContact OD1-CD 3.45Å; D574-R577 IonicContact OD1-CZ 2.65Å; D574-R577 IonicContact OD1-NE 2.67Å; D574-R577 IonicContact OD1-NH1 2.65Å; D574-R577 PolarHBondContact OD1-NH1 2.89Å; R577-R581 VanDerWaalsContact O-CG 3.3Å; R577-R581 WeakPolarHBondContact O-CG 3.37Å; R577-R581 PolarHBondContact O-N 2.98Å |
| 578 | G | 84.1 | Confident | 77.1 | Confident | 24 Ų | 24 | 107 Ų | 107 | 25% | 0.247 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -60.9 | -51.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D574 R575 D576 D580 R581 D582 | D574-G578 PolarHBondContact O-N 3.13Å; R575-G578 PolarHBondContact O-N 3.31Å; D576-G578 VanDerWaalsContact C-N 3.3Å; D576-G578 PolarHBondContact O-N 2.94Å; G578-D580 VanDerWaalsContact C-N 3.29Å; G578-D580 PolarHBondContact O-N 3.47Å; G578-R581 PolarHBondContact O-N 3.33Å; G578-D582 PolarHBondContact O-N 2.95Å |
| 579 | R | 80.8 | Confident | 78.6 | Confident | 130 Ų | 130 | 102.7 Ų | 102.7 | 49% | 0.491 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -57.7 | -36.7 | 177.7 | -177.6 | -176.2 | -74.4 | 146.8 | -10.7 | 113 | R575 D576 K583 | R575-R579 WeakPolarHBondContact O-CB 3.4Å; R575-R579 PolarHBondContact O-N 2.85Å; D576-R579 WeakPolarHBondContact O-CB 3.35Å; D576-R579 PolarHBondContact O-N 3.48Å; D576-R579 IonicContact OD1-CZ 3.65Å; D576-R579 IonicContact OD1-NH1 2.66Å; D576-R579 PolarHBondContact OD1-NH1 3.43Å; R579-K583 WeakPolarHBondContact O-CG 3.46Å; R579-K583 PolarHBondContact O-N 3.38Å; R579-K583 VanDerWaalsContact O-N 3.15Å |
| 580 | D | 81.6 | Confident | 79.7 | Confident | 84 Ų | 84 | 104.4 Ų | 104.4 | 45% | 0.449 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -76.2 | -36.7 | 177.2 | -77.3 | -19.9 | 0 | 0 | 0 | 113.3 | D576 G578 D582 K583 E584 | D576-D580 PolarHBondContact O-N 3.36Å; G578-D580 VanDerWaalsContact C-N 3.29Å; G578-D580 PolarHBondContact O-N 3.47Å; D580-D582 VanDerWaalsContact C-N 3.28Å; D580-D582 PolarHBondContact O-N 3.32Å; D580-K583 PolarHBondContact O-N 2.96Å; D580-K583 WeakPolarHBondContact OD1-CD 3.29Å; D580-K583 WeakPolarHBondContact OD1-CE 3.37Å; D580-K583 IonicContact OD1-NZ 3.61Å; D580-K583 PolarHBondContact OD1-NZ 3.27Å; D580-E584 WeakPolarHBondContact O-CB 3.25Å; D580-E584 PolarHBondContact O-N 3.37Å |
| 581 | R | 82.1 | Confident | 81.2 | Confident | 160 Ų | 160 | 104.3 Ų | 104.3 | 60% | 0.604 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -62 | -35.2 | 169.5 | -73.1 | 168.6 | 178.1 | 159 | -1 | 112.4 | R577 G578 E584 R585 | R577-R581 VanDerWaalsContact O-CG 3.3Å; R577-R581 WeakPolarHBondContact O-CG 3.37Å; R577-R581 PolarHBondContact O-N 2.98Å; G578-R581 PolarHBondContact O-N 3.33Å; R581-E584 PolarHBondContact O-N 3.38Å; R581-R585 WeakPolarHBondContact O-CB 3.36Å; R581-R585 PolarHBondContact O-N 3.35Å |
| 582 | D | 85.1 | Confident | 82.6 | Confident | 74 Ų | 74 | 99.1 Ų | 99.1 | 40% | 0.396 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.5 | -42.4 | 176.6 | -68.2 | -25.8 | 0 | 0 | 0 | 111.2 | G578 D580 E584 R585 D586 | G578-D582 PolarHBondContact O-N 2.95Å; D580-D582 VanDerWaalsContact C-N 3.28Å; D580-D582 PolarHBondContact O-N 3.32Å; D582-E584 VanDerWaalsContact C-N 3.28Å; D582-E584 PolarHBondContact O-N 2.72Å; D582-R585 PolarHBondContact O-N 3.47Å; D582-R585 IonicContact OD1-CZ 3.71Å; D582-R585 IonicContact OD1-NH1 3.86Å; D582-R585 PolarHBondContact OD1-NH1 2.65Å; D582-R585 IonicContact OD1-NH2 2.68Å; D582-R585 PolarHBondContact OD1-NH2 3.14Å; D582-D586 PolarHBondContact O-N 3.42Å |
| 583 | K | 87.8 | Confident | 83.6 | Confident | 92 Ų | 92 | 102 Ų | 102 | 40% | 0.4 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.9 | -35.8 | 170.1 | -67.1 | 168 | -164 | 159.5 | 0 | 112.8 | R579 D580 R587 | R579-K583 WeakPolarHBondContact O-CG 3.46Å; R579-K583 PolarHBondContact O-N 3.38Å; R579-K583 VanDerWaalsContact O-N 3.15Å; D580-K583 PolarHBondContact O-N 2.96Å; D580-K583 WeakPolarHBondContact OD1-CD 3.29Å; D580-K583 WeakPolarHBondContact OD1-CE 3.37Å; D580-K583 IonicContact OD1-NZ 3.61Å; D580-K583 PolarHBondContact OD1-NZ 3.27Å; K583-R587 WeakPolarHBondContact O-CG 3.47Å; K583-R587 PolarHBondContact O-N 3.23Å; K583-R587 VanDerWaalsContact O-N 3.14Å; K583-R587 PolarHBondContact O-NH1 2.65Å |
| 584 | E | 86.6 | Confident | 84.5 | Confident | 118 Ų | 118 | 99.8 Ų | 99.8 | 55% | 0.551 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.8 | -51.2 | 175.3 | -176 | 168 | -131.7 | 0 | 0 | 110.6 | D580 R581 D582 D586 R587 D588 | D580-E584 WeakPolarHBondContact O-CB 3.25Å; D580-E584 PolarHBondContact O-N 3.37Å; R581-E584 PolarHBondContact O-N 3.38Å; D582-E584 VanDerWaalsContact C-N 3.28Å; D582-E584 PolarHBondContact O-N 2.72Å; E584-D586 VanDerWaalsContact C-N 3.26Å; E584-D586 PolarHBondContact O-N 2.97Å; E584-R587 PolarHBondContact O-N 3.01Å; E584-R587 VanDerWaalsContact O-N 3.11Å; E584-D588 PolarHBondContact O-N 3.46Å |
| 585 | R | 87.9 | Confident | 85.3 | Confident | 132 Ų | 132 | 102.3 Ų | 102.3 | 50% | 0.498 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.3 | -34.2 | 176.8 | -160.3 | -172.9 | -56.6 | 110.7 | 6.2 | 113.1 | R581 D582 K589 | R581-R585 WeakPolarHBondContact O-CB 3.36Å; R581-R585 PolarHBondContact O-N 3.35Å; D582-R585 PolarHBondContact O-N 3.47Å; D582-R585 IonicContact OD1-CZ 3.71Å; D582-R585 IonicContact OD1-NH1 3.86Å; D582-R585 PolarHBondContact OD1-NH1 2.65Å; D582-R585 IonicContact OD1-NH2 2.68Å; D582-R585 PolarHBondContact OD1-NH2 3.14Å; R585-K589 WeakPolarHBondContact O-CG 3.39Å; R585-K589 PolarHBondContact O-N 3.19Å |
| 586 | D | 88.8 | Confident | 86.1 | Confident | 77 Ų | 77 | 99.5 Ų | 99.5 | 41% | 0.412 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -72.7 | -40 | 175.6 | -75.2 | -22.6 | 0 | 0 | 0 | 112.6 | D582 E584 D588 K589 D590 | D582-D586 PolarHBondContact O-N 3.42Å; E584-D586 VanDerWaalsContact C-N 3.26Å; E584-D586 PolarHBondContact O-N 2.97Å; D586-D588 VanDerWaalsContact C-N 3.26Å; D586-D588 PolarHBondContact O-N 2.93Å; D586-K589 WeakPolarHBondContact O-CB 3.45Å; D586-K589 PolarHBondContact O-N 2.87Å; D586-K589 WeakPolarHBondContact OD1-CE 3.18Å; D586-K589 IonicContact OD1-NZ 4Å; D586-K589 PolarHBondContact OD1-NZ 2.68Å; D586-D590 PolarHBondContact O-N 2.74Å |
| 587 | R | 87.1 | Confident | 86.9 | Confident | 147 Ų | 147 | 100.4 Ų | 100.4 | 56% | 0.555 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -60.6 | -35.6 | 171.3 | -71.7 | 180 | -162.8 | 103.8 | -11.8 | 112.4 | K583 E584 D590 K591 | K583-R587 WeakPolarHBondContact O-CG 3.47Å; K583-R587 PolarHBondContact O-N 3.23Å; K583-R587 VanDerWaalsContact O-N 3.14Å; K583-R587 PolarHBondContact O-NH1 2.65Å; E584-R587 PolarHBondContact O-N 3.01Å; E584-R587 VanDerWaalsContact O-N 3.11Å; R587-D590 PolarHBondContact O-N 3.5Å; R587-K591 WeakPolarHBondContact O-CG 3.48Å; R587-K591 PolarHBondContact O-N 3.12Å |
| 588 | D | 88.7 | Confident | 87.6 | Confident | 65 Ų | 65 | 98.5 Ų | 98.5 | 35% | 0.348 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -69.9 | -40 | 177.3 | -70.6 | -26.3 | 0 | 0 | 0 | 112.2 | E584 D586 D590 K591 D592 | E584-D588 PolarHBondContact O-N 3.46Å; D586-D588 VanDerWaalsContact C-N 3.26Å; D586-D588 PolarHBondContact O-N 2.93Å; D588-D590 PolarHBondContact O-N 3.21Å; D588-K591 PolarHBondContact O-N 3.09Å; D588-K591 WeakPolarHBondContact OD1-CE 3.41Å; D588-K591 IonicContact OD1-NZ 3.73Å; D588-K591 PolarHBondContact OD1-NZ 2.88Å; D588-D592 PolarHBondContact O-N 3.46Å |
| 589 | K | 90.1 | Very high | 88 | Confident | 88 Ų | 88 | 101.6 Ų | 101.6 | 38% | 0.383 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.8 | -38.3 | 169.7 | -66.2 | 166.1 | -161.2 | 166 | 0 | 112 | R585 D586 D592 R593 | R585-K589 WeakPolarHBondContact O-CG 3.39Å; R585-K589 PolarHBondContact O-N 3.19Å; D586-K589 WeakPolarHBondContact O-CB 3.45Å; D586-K589 PolarHBondContact O-N 2.87Å; D586-K589 WeakPolarHBondContact OD1-CE 3.18Å; D586-K589 IonicContact OD1-NZ 4Å; D586-K589 PolarHBondContact OD1-NZ 2.68Å; K589-D592 PolarHBondContact O-N 3.39Å; K589-R593 WeakPolarHBondContact O-CB 3.33Å; K589-R593 WeakPolarHBondContact O-CD 3.36Å; K589-R593 WeakPolarHBondContact O-CG 3.35Å; K589-R593 PolarHBondContact O-N 3.43Å |
| 590 | D | 89.1 | Confident | 88.5 | Confident | 75 Ų | 75 | 99 Ų | 99 | 40% | 0.401 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -70.8 | -40.3 | 178.5 | -72.5 | -28.3 | 0 | 0 | 0 | 112.5 | D586 R587 D588 D592 R593 D594 | D586-D590 PolarHBondContact O-N 2.74Å; R587-D590 PolarHBondContact O-N 3.5Å; D588-D590 PolarHBondContact O-N 3.21Å; D590-D592 VanDerWaalsContact C-N 3.3Å; D590-D592 PolarHBondContact O-N 2.84Å; D590-R593 PolarHBondContact O-N 3.45Å; D590-R593 IonicContact OD1-CZ 2.65Å; D590-R593 IonicContact OD1-NH1 3.68Å; D590-R593 PolarHBondContact OD1-NH1 2.88Å; D590-D594 PolarHBondContact O-N 3.39Å |
| 591 | K | 90.1 | Very high | 88.9 | Confident | 118 Ų | 118 | 100.4 Ų | 100.4 | 51% | 0.513 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -57.7 | -42.2 | 170.3 | -66.7 | 167 | -161.4 | 166 | 0 | 111.9 | R587 D588 D594 R595 | R587-K591 WeakPolarHBondContact O-CG 3.48Å; R587-K591 PolarHBondContact O-N 3.12Å; D588-K591 PolarHBondContact O-N 3.09Å; D588-K591 WeakPolarHBondContact OD1-CE 3.41Å; D588-K591 IonicContact OD1-NZ 3.73Å; D588-K591 PolarHBondContact OD1-NZ 2.88Å; K591-D594 PolarHBondContact O-N 2.96Å; K591-R595 VanDerWaalsContact O-CB 3.31Å; K591-R595 WeakPolarHBondContact O-CB 3.47Å; K591-R595 PolarHBondContact O-N 3.24Å |
| 592 | D | 89.4 | Confident | 89.4 | Confident | 79 Ų | 79 | 99 Ų | 99 | 42% | 0.422 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -69.9 | -40.1 | 178.6 | -78 | -28.5 | 0 | 0 | 0 | 112.1 | D588 K589 D590 D594 R595 D596 | D588-D592 PolarHBondContact O-N 3.46Å; K589-D592 PolarHBondContact O-N 3.39Å; D590-D592 VanDerWaalsContact C-N 3.3Å; D590-D592 PolarHBondContact O-N 2.84Å; D592-D594 VanDerWaalsContact C-N 3.34Å; D592-D594 PolarHBondContact O-N 3.31Å; D592-R595 PolarHBondContact O-N 2.8Å; D592-R595 IonicContact OD1-CZ 2.71Å; D592-R595 IonicContact OD1-NH1 3.14Å; D592-R595 PolarHBondContact OD1-NH1 3.27Å; D592-D596 PolarHBondContact O-N 2.87Å |
| 593 | R | 88.8 | Confident | 89.7 | Confident | 135 Ų | 135 | 100.3 Ų | 100.3 | 51% | 0.509 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.9 | -42.8 | 171.4 | -73.9 | 162.4 | 178.9 | 152.4 | -0.5 | 112.2 | K589 D590 D596 K597 | K589-R593 WeakPolarHBondContact O-CB 3.33Å; K589-R593 WeakPolarHBondContact O-CD 3.36Å; K589-R593 WeakPolarHBondContact O-CG 3.35Å; K589-R593 PolarHBondContact O-N 3.43Å; D590-R593 PolarHBondContact O-N 3.45Å; D590-R593 IonicContact OD1-CZ 2.65Å; D590-R593 IonicContact OD1-NH1 3.68Å; D590-R593 PolarHBondContact OD1-NH1 2.88Å; R593-D596 PolarHBondContact O-N 2.96Å; R593-K597 VanDerWaalsContact O-CG 3.28Å; R593-K597 WeakPolarHBondContact O-CG 3.49Å; R593-K597 PolarHBondContact O-N 2.93Å |
| 594 | D | 89.8 | Confident | 89.9 | Confident | 77 Ų | 77 | 99.1 Ų | 99.1 | 41% | 0.412 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.1 | -40.4 | 178.7 | -75.1 | -23.7 | 0 | 0 | 0 | 111.8 | D590 K591 D592 D596 K597 D598 | D590-D594 PolarHBondContact O-N 3.39Å; K591-D594 PolarHBondContact O-N 2.96Å; D592-D594 VanDerWaalsContact C-N 3.34Å; D592-D594 PolarHBondContact O-N 3.31Å; D594-D596 VanDerWaalsContact C-N 3.29Å; D594-D596 PolarHBondContact O-N 2.85Å; D594-K597 PolarHBondContact O-N 3.47Å; D594-K597 WeakPolarHBondContact OD1-CE 3.49Å; D594-K597 IonicContact OD1-NZ 3.05Å; D594-K597 PolarHBondContact OD1-NZ 2.99Å; D594-D598 PolarHBondContact O-N 3.4Å |
| 595 | R | 89.4 | Confident | 90.1 | Very high | 137 Ų | 137 | 99.9 Ų | 99.9 | 52% | 0.517 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -58.7 | -38.7 | 171.2 | 179.7 | -177.9 | -71.8 | 128.3 | -3.6 | 112.3 | K591 D592 D598 K599 | K591-R595 VanDerWaalsContact O-CB 3.31Å; K591-R595 WeakPolarHBondContact O-CB 3.47Å; K591-R595 PolarHBondContact O-N 3.24Å; D592-R595 PolarHBondContact O-N 2.8Å; D592-R595 IonicContact OD1-CZ 2.71Å; D592-R595 IonicContact OD1-NH1 3.14Å; D592-R595 PolarHBondContact OD1-NH1 3.27Å; R595-D598 PolarHBondContact O-N 2.91Å; R595-K599 WeakPolarHBondContact O-CG 3.46Å; R595-K599 PolarHBondContact O-N 3.33Å; R595-K599 VanDerWaalsContact O-N 3.12Å |
| 596 | D | 90.4 | Very high | 90.2 | Very high | 75 Ų | 75 | 98.7 Ų | 98.7 | 40% | 0.401 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -72.6 | -39.8 | 176.9 | -76 | -16.9 | 0 | 0 | 0 | 112.5 | D592 R593 D594 D598 K599 D600 | D592-D596 PolarHBondContact O-N 2.87Å; R593-D596 PolarHBondContact O-N 2.96Å; D594-D596 VanDerWaalsContact C-N 3.29Å; D594-D596 PolarHBondContact O-N 2.85Å; D596-D598 PolarHBondContact O-N 3.21Å; D596-K599 PolarHBondContact O-N 3.13Å; D596-K599 WeakPolarHBondContact OD1-CE 3.23Å; D596-K599 IonicContact OD1-NZ 3.73Å; D596-K599 PolarHBondContact OD1-NZ 3.2Å; D596-D600 PolarHBondContact O-N 3.29Å |
| 597 | K | 91.6 | Very high | 90.2 | Very high | 93 Ų | 93 | 100.1 Ų | 100.1 | 40% | 0.404 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -57.1 | -37.7 | 169.8 | -67.9 | 165.4 | -155.3 | 164.9 | 0 | 111.9 | R593 D594 D600 R601 | R593-K597 VanDerWaalsContact O-CG 3.28Å; R593-K597 WeakPolarHBondContact O-CG 3.49Å; R593-K597 PolarHBondContact O-N 2.93Å; D594-K597 PolarHBondContact O-N 3.47Å; D594-K597 WeakPolarHBondContact OD1-CE 3.49Å; D594-K597 IonicContact OD1-NZ 3.05Å; D594-K597 PolarHBondContact OD1-NZ 2.99Å; K597-D600 PolarHBondContact O-N 3.42Å; K597-R601 WeakPolarHBondContact O-CD 3.21Å; K597-R601 VanDerWaalsContact O-CG 3.23Å; K597-R601 WeakPolarHBondContact O-CG 3.44Å; K597-R601 PolarHBondContact O-N 3.33Å |
| 598 | D | 90.5 | Very high | 90.2 | Very high | 89 Ų | 89 | 96.2 Ų | 96.2 | 48% | 0.476 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -72.1 | -37.1 | 178.5 | -75.9 | -23.5 | 0 | 0 | 0 | 112.7 | D594 R595 D596 D600 R601 E602 | D594-D598 PolarHBondContact O-N 3.4Å; R595-D598 PolarHBondContact O-N 2.91Å; D596-D598 PolarHBondContact O-N 3.21Å; D598-D600 VanDerWaalsContact C-N 3.32Å; D598-D600 PolarHBondContact O-N 3.26Å; D598-R601 PolarHBondContact O-N 2.86Å; D598-R601 IonicContact OD1-CZ 2.75Å; D598-R601 IonicContact OD1-NH1 3.79Å; D598-R601 PolarHBondContact OD1-NH1 3.21Å; D598-E602 WeakPolarHBondContact O-CB 3.29Å; D598-E602 PolarHBondContact O-N 3.28Å |
| 599 | K | 91.8 | Very high | 90 | Very high | 89 Ų | 89 | 100.3 Ų | 100.3 | 39% | 0.387 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63 | -36.3 | 168.2 | -64.2 | 167.7 | -167 | 159.9 | 0 | 112.4 | R595 D596 E602 R603 | R595-K599 WeakPolarHBondContact O-CG 3.46Å; R595-K599 PolarHBondContact O-N 3.33Å; R595-K599 VanDerWaalsContact O-N 3.12Å; D596-K599 PolarHBondContact O-N 3.13Å; D596-K599 WeakPolarHBondContact OD1-CE 3.23Å; D596-K599 IonicContact OD1-NZ 3.73Å; D596-K599 PolarHBondContact OD1-NZ 3.2Å; K599-E602 PolarHBondContact O-N 2.94Å; K599-R603 PolarHBondContact O-N 2.75Å; K599-R603 PolarHBondContact O-NE 3.01Å; K599-R603 PolarHBondContact O-NH2 2.96Å |
| 600 | D | 91.9 | Very high | 89.6 | Confident | 74 Ų | 74 | 99.6 Ų | 99.6 | 40% | 0.396 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.2 | -49.1 | 176.2 | -73.8 | -22.5 | 0 | 0 | 0 | 110.2 | D596 K597 D598 E602 R603 D604 | D596-D600 PolarHBondContact O-N 3.29Å; K597-D600 PolarHBondContact O-N 3.42Å; D598-D600 VanDerWaalsContact C-N 3.32Å; D598-D600 PolarHBondContact O-N 3.26Å; D600-E602 PolarHBondContact O-N 2.88Å; D600-R603 CarbonylContact O-C 3.52Å; D600-R603 PolarHBondContact O-N 3.15Å; D600-R603 IonicContact OD1-CZ 3.13Å; D600-R603 IonicContact OD1-NH1 2.7Å; D600-R603 PolarHBondContact OD1-NH1 3.44Å; D600-R603 IonicContact OD1-NH2 2.72Å; D600-R603 PolarHBondContact OD1-NH2 2.92Å; D600-D604 VanDerWaalsContact O-CG 3.27Å; D600-D604 PolarHBondContact O-N 3.07Å |
| 601 | R | 90.9 | Very high | 89.2 | Confident | 115 Ų | 115 | 102.8 Ų | 102.8 | 43% | 0.434 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.9 | -30 | 173.3 | -67 | 163.3 | -178.3 | 141.8 | 1.4 | 113.2 | K597 D598 R605 | K597-R601 WeakPolarHBondContact O-CD 3.21Å; K597-R601 VanDerWaalsContact O-CG 3.23Å; K597-R601 WeakPolarHBondContact O-CG 3.44Å; K597-R601 PolarHBondContact O-N 3.33Å; D598-R601 PolarHBondContact O-N 2.86Å; D598-R601 IonicContact OD1-CZ 2.75Å; D598-R601 IonicContact OD1-NH1 3.79Å; D598-R601 PolarHBondContact OD1-NH1 3.21Å; R601-R605 VanDerWaalsContact C-NH1 3.26Å; R601-R605 WeakPolarHBondContact O-CG 3.31Å; R601-R605 PolarHBondContact O-N 3.21Å; R601-R605 PolarHBondContact O-NH1 2.91Å |
| 602 | E | 92.5 | Very high | 88.5 | Confident | 130 Ų | 130 | 103.2 Ų | 103.2 | 61% | 0.607 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -69.4 | -49.7 | 173.9 | -175.8 | 168 | -134.9 | 0 | 0 | 110.8 | D598 K599 D600 D604 R605 E606 | D598-E602 WeakPolarHBondContact O-CB 3.29Å; D598-E602 PolarHBondContact O-N 3.28Å; K599-E602 PolarHBondContact O-N 2.94Å; D600-E602 PolarHBondContact O-N 2.88Å; E602-D604 VanDerWaalsContact C-N 3.27Å; E602-D604 PolarHBondContact O-N 3.43Å; E602-R605 PolarHBondContact O-N 2.97Å; E602-E606 PolarHBondContact O-N 3.29Å |
| 603 | R | 91.5 | Very high | 87.9 | Confident | 101 Ų | 101 | 108.9 Ų | 108.9 | 38% | 0.381 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.1 | -25.2 | 174.3 | -80.2 | 177.9 | -84.3 | 106.2 | 0.4 | 113.8 | K599 D600 R607 | K599-R603 PolarHBondContact O-N 2.75Å; K599-R603 PolarHBondContact O-NE 3.01Å; K599-R603 PolarHBondContact O-NH2 2.96Å; D600-R603 CarbonylContact O-C 3.52Å; D600-R603 PolarHBondContact O-N 3.15Å; D600-R603 IonicContact OD1-CZ 3.13Å; D600-R603 IonicContact OD1-NH1 2.7Å; D600-R603 PolarHBondContact OD1-NH1 3.44Å; D600-R603 IonicContact OD1-NH2 2.72Å; D600-R603 PolarHBondContact OD1-NH2 2.92Å; R603-R607 PolarHBondContact O-N 2.89Å; R603-R607 VanDerWaalsContact O-N 3.16Å; R603-R607 PolarHBondContact O-NE 3.23Å; R603-R607 PolarHBondContact O-NH2 2.92Å; R603-R607 VanDerWaalsContact O-NH2 3.12Å |
| 604 | D | 91.4 | Very high | 86.9 | Confident | 68 Ų | 68 | 108.9 Ų | 108.9 | 36% | 0.364 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -69.7 | -50.8 | 170.9 | -70.7 | -24.7 | 0 | 0 | 0 | 110.1 | D600 E602 E606 R607 D608 | D600-D604 VanDerWaalsContact O-CG 3.27Å; D600-D604 PolarHBondContact O-N 3.07Å; E602-D604 VanDerWaalsContact C-N 3.27Å; E602-D604 PolarHBondContact O-N 3.43Å; D604-E606 PolarHBondContact O-N 3.42Å; D604-R607 CarbonylContact O-C 3.34Å; D604-R607 PolarHBondContact O-N 3.3Å; D604-R607 VanDerWaalsContact O-N 3.11Å; D604-R607 IonicContact OD1-CZ 3.23Å; D604-R607 IonicContact OD1-NH1 2.7Å; D604-R607 PolarHBondContact OD1-NH1 2.7Å; D604-R607 IonicContact OD1-NH2 2.7Å; D604-R607 PolarHBondContact OD1-NH2 3.45Å; D604-D608 PolarHBondContact O-N 3.25Å |
| 605 | R | 89.8 | Confident | 85.4 | Confident | 134 Ų | 134 | 108.2 Ų | 108.2 | 51% | 0.506 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -27.3 | 174.3 | -66.9 | 179.1 | -161.1 | 100.8 | -14.9 | 113.5 | R601 E602 R609 | R601-R605 VanDerWaalsContact C-NH1 3.26Å; R601-R605 WeakPolarHBondContact O-CG 3.31Å; R601-R605 PolarHBondContact O-N 3.21Å; R601-R605 PolarHBondContact O-NH1 2.91Å; E602-R605 PolarHBondContact O-N 2.97Å; R605-R609 VanDerWaalsContact C-NH1 3.25Å; R605-R609 WeakPolarHBondContact O-CG 3.32Å; R605-R609 PolarHBondContact O-N 3.4Å; R605-R609 PolarHBondContact O-NH1 3.01Å |
| 606 | E | 90.6 | Very high | 84.3 | Confident | 107 Ų | 107 | 103.4 Ų | 103.4 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.6 | -55.3 | 170.2 | -171.9 | 174.3 | -138.1 | 0 | 0 | 109.8 | E602 D604 D608 R609 D610 | E602-E606 PolarHBondContact O-N 3.29Å; D604-E606 PolarHBondContact O-N 3.42Å; E606-D608 PolarHBondContact O-N 3.37Å; E606-R609 PolarHBondContact O-N 2.96Å; E606-R609 VanDerWaalsContact O-N 3.1Å; E606-D610 PolarHBondContact O-N 3.48Å |
| 607 | R | 88.9 | Confident | 82.3 | Confident | 107 Ų | 107 | 106.1 Ų | 106.1 | 40% | 0.404 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.7 | -26.3 | 175.3 | -82 | 174.8 | -84 | 115 | -0.5 | 114.5 | R603 D604 R611 | R603-R607 PolarHBondContact O-N 2.89Å; R603-R607 VanDerWaalsContact O-N 3.16Å; R603-R607 PolarHBondContact O-NE 3.23Å; R603-R607 PolarHBondContact O-NH2 2.92Å; R603-R607 VanDerWaalsContact O-NH2 3.12Å; D604-R607 CarbonylContact O-C 3.34Å; D604-R607 PolarHBondContact O-N 3.3Å; D604-R607 VanDerWaalsContact O-N 3.11Å; D604-R607 IonicContact OD1-CZ 3.23Å; D604-R607 IonicContact OD1-NH1 2.7Å; D604-R607 PolarHBondContact OD1-NH1 2.7Å; D604-R607 IonicContact OD1-NH2 2.7Å; D604-R607 PolarHBondContact OD1-NH2 3.45Å; R607-R611 WeakPolarHBondContact O-CG 3.38Å; R607-R611 PolarHBondContact O-N 3.23Å; R607-R611 VanDerWaalsContact O-N 3.08Å |
| 608 | D | 86.4 | Confident | 79.9 | Confident | 65 Ų | 65 | 108.9 Ų | 108.9 | 35% | 0.348 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -70.2 | -47.9 | 172.9 | -62.2 | -25.5 | 0 | 0 | 0 | 110.8 | D604 E606 D610 R611 D612 | D604-D608 PolarHBondContact O-N 3.25Å; E606-D608 PolarHBondContact O-N 3.37Å; D608-D610 VanDerWaalsContact C-N 3.3Å; D608-D610 PolarHBondContact O-N 3.41Å; D608-R611 CarbonylContact O-C 3.59Å; D608-R611 PolarHBondContact O-N 3.11Å; D608-R611 VanDerWaalsContact O-N 3.09Å; D608-R611 IonicContact OD1-CZ 3.31Å; D608-R611 VanDerWaalsContact OD1-CZ 3.31Å; D608-R611 IonicContact OD1-NH1 2.7Å; D608-R611 PolarHBondContact OD1-NH1 3.29Å; D608-R611 IonicContact OD1-NH2 3Å; D608-R611 PolarHBondContact OD1-NH2 2.66Å; D608-D612 PolarHBondContact O-N 2.97Å |
| 609 | R | 84.4 | Confident | 77.3 | Confident | 151 Ų | 151 | 110.2 Ų | 110.2 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.1 | -33.8 | 173.3 | -67 | 178.5 | -160.7 | 101.5 | -17.7 | 113.2 | R605 E606 D612 R613 | R605-R609 VanDerWaalsContact C-NH1 3.25Å; R605-R609 WeakPolarHBondContact O-CG 3.32Å; R605-R609 PolarHBondContact O-N 3.4Å; R605-R609 PolarHBondContact O-NH1 3.01Å; E606-R609 PolarHBondContact O-N 2.96Å; E606-R609 VanDerWaalsContact O-N 3.1Å; R609-D612 PolarHBondContact O-N 3.4Å; R609-R613 WeakPolarHBondContact O-CB 3.1Å; R609-R613 PolarHBondContact O-N 3.34Å |
| 610 | D | 82.6 | Confident | 74.9 | Confident | 72 Ų | 72 | 113.2 Ų | 113.2 | 39% | 0.385 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.8 | -40.2 | 173.6 | -68 | -30.2 | 0 | 0 | 0 | 110.7 | E606 D608 R613 E614 | E606-D610 PolarHBondContact O-N 3.48Å; D608-D610 VanDerWaalsContact C-N 3.3Å; D608-D610 PolarHBondContact O-N 3.41Å; D610-R613 PolarHBondContact O-N 3.02Å; D610-E614 WeakPolarHBondContact O-CB 3.3Å; D610-E614 VanDerWaalsContact O-CG 3.25Å; D610-E614 WeakPolarHBondContact O-CG 3.39Å; D610-E614 PolarHBondContact O-N 3.35Å |
| 611 | R | 79.9 | Confident | 72.4 | Confident | 142 Ų | 142 | 115.6 Ų | 115.6 | 54% | 0.536 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.7 | -33.8 | 172.4 | -76.7 | -170.4 | -110.2 | 87.3 | 0.8 | 113 | R607 D608 R613 G615 | R607-R611 WeakPolarHBondContact O-CG 3.38Å; R607-R611 PolarHBondContact O-N 3.23Å; R607-R611 VanDerWaalsContact O-N 3.08Å; D608-R611 CarbonylContact O-C 3.59Å; D608-R611 PolarHBondContact O-N 3.11Å; D608-R611 VanDerWaalsContact O-N 3.09Å; D608-R611 IonicContact OD1-CZ 3.31Å; D608-R611 VanDerWaalsContact OD1-CZ 3.31Å; D608-R611 IonicContact OD1-NH1 2.7Å; D608-R611 PolarHBondContact OD1-NH1 3.29Å; D608-R611 IonicContact OD1-NH2 3Å; D608-R611 PolarHBondContact OD1-NH2 2.66Å; R611-R613 VanDerWaalsContact C-N 3.28Å; R611-R613 PolarHBondContact O-N 3.14Å; R611-G615 WeakPolarHBondContact O-CA 3.06Å; R611-G615 PolarHBondContact O-N 2.65Å |
| 612 | D | 76.8 | Confident | 69.7 | Low | 128 Ų | 128 | 117.4 Ų | 117.4 | 68% | 0.684 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.1 | -31.8 | 172.4 | -63.4 | -31 | 0 | 0 | 0 | 111.7 | D608 R609 | D608-D612 PolarHBondContact O-N 2.97Å; R609-D612 PolarHBondContact O-N 3.4Å |
| 613 | R | 76.3 | Confident | 67.1 | Low | 197 Ų | 197 | 119.3 Ų | 119.3 | 74% | 0.743 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -76.6 | -42.4 | 175.3 | 172.9 | 176.1 | -81.5 | 143 | -7.6 | 112.9 | R609 D610 R611 G615 | R609-R613 WeakPolarHBondContact O-CB 3.1Å; R609-R613 PolarHBondContact O-N 3.34Å; D610-R613 PolarHBondContact O-N 3.02Å; R611-R613 VanDerWaalsContact C-N 3.28Å; R611-R613 PolarHBondContact O-N 3.14Å; R613-G615 PolarHBondContact O-N 3.25Å |
| 614 | E | 67 | Low | 64.3 | Low | 136 Ų | 136 | 119.9 Ų | 119.9 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -74.8 | -12 | 174.5 | -61.2 | -84.4 | 126.6 | 0 | 0 | 112.1 | D610 G616 | D610-E614 WeakPolarHBondContact O-CB 3.3Å; D610-E614 VanDerWaalsContact O-CG 3.25Å; D610-E614 WeakPolarHBondContact O-CG 3.39Å; D610-E614 PolarHBondContact O-N 3.35Å; E614-G616 VanDerWaalsContact C-N 3.26Å; E614-G616 PolarHBondContact O-N 3Å |
| 615 | G | 59.7 | Low | 61.6 | Low | 62 Ų | 62 | 123.6 Ų | 123.6 | 64% | 0.639 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 0.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | R611 R613 | R611-G615 WeakPolarHBondContact O-CA 3.06Å; R611-G615 PolarHBondContact O-N 2.65Å; R613-G615 PolarHBondContact O-N 3.25Å |
| 616 | G | 64.8 | Low | 58.7 | Low | 37 Ų | 37 | 123.5 Ų | 123.5 | 38% | 0.381 | 65% | 0.653 | S | S | . | * | S | Bend | trans | -66.6 | 148.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E614 H618 | E614-G616 VanDerWaalsContact C-N 3.26Å; E614-G616 PolarHBondContact O-N 3Å; G616-H618 PolarHBondContact O-N 2.91Å |
| 617 | P | 49.3 | Very low | 55.8 | Low | 131 Ų | 131 | 124.3 Ų | 124.3 | 85% | 0.851 | 67% | 0.666 | S | S | * | * | | | trans | -66.4 | 106 | 178.3 | 27.3 | -33.7 | 0 | 0 | 0 | 110.3 | S619 | P617-S619 PolarHBondContact O-N 3.32Å; P617-S619 VanDerWaalsContact O-N 3.1Å |
| 618 | H | 40.9 | Very low | 52.9 | Low | 152 Ų | 152 | 126.1 Ų | 126.1 | 70% | 0.704 | 69% | 0.689 | S | S | * | * | | | trans | -62.7 | 111.2 | 175 | -73.9 | -85.2 | 0 | 0 | 0 | 110.7 | G616 | G616-H618 PolarHBondContact O-N 2.91Š|
| 619 | S | 36.6 | Very low | 50.3 | Low | 116 Ų | 116 | 128.4 Ų | 128.4 | 81% | 0.811 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 145.1 | 168.9 | -62.8 | 0 | 0 | 0 | 0 | 111.3 | P617 | P617-S619 PolarHBondContact O-N 3.32Å; P617-S619 VanDerWaalsContact O-N 3.1Å |
| 620 | L | 40 | Very low | 47.7 | Very low | 153 Ų | 153 | 125.2 Ų | 125.2 | 80% | 0.801 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 150.2 | -178.7 | -59.3 | 173.5 | 0 | 0 | 0 | 111.9 | I622 | L620-I622 PolarHBondContact O-N 3.27Š|
| 621 | P | 40 | Very low | 45.4 | Very low | 123 Ų | 123 | 130.5 Ų | 130.5 | 80% | 0.799 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 122.8 | 167.6 | 29.2 | -33 | 0 | 0 | 0 | 109.1 | | |
| 622 | I | 34.7 | Very low | 43.1 | Very low | 153 Ų | 153 | 130 Ų | 130 | 79% | 0.785 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 121.3 | 172.6 | -68.4 | 176.3 | 0 | 0 | 0 | 108.2 | L620 | L620-I622 PolarHBondContact O-N 3.27Š|
| 623 | E | 38.4 | Very low | 41.4 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 80% | 0.799 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 129.6 | 167.8 | -62.5 | 178.6 | 134.4 | 0 | 0 | 109.4 | | |
| 624 | S | 31.4 | Very low | 39.3 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | | | trans | -116.7 | 98.6 | 176.9 | -67 | 0 | 0 | 0 | 0 | 109.4 | | |
| 625 | I | 34.5 | Very low | 37.5 | Very low | 145 Ų | 145 | 127.1 Ų | 127.1 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | | | trans | -126.6 | 99.8 | 176.9 | 1.6 | 172.5 | 0 | 0 | 0 | 110.7 | | |
| 626 | T | 29.1 | Very low | 36.3 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 81% | 0.81 | 76% | 0.76 | S | S | * | * | | | trans | -156.4 | 134.3 | 166.1 | 46.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 627 | T | 30.2 | Very low | 34.8 | Very low | 125 Ų | 125 | 132.2 Ų | 132.2 | 77% | 0.767 | 77% | 0.774 | S | S | * | * | | | cis | -178 | 122.5 | -31.2 | 13.7 | 0 | 0 | 0 | 0 | 106.7 | | |
| 628 | T | 27.4 | Very low | 33.8 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | | | trans | -145.2 | 117.9 | 166.6 | -25.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 629 | S | 31.6 | Very low | 33.4 | Very low | 113 Ų | 113 | 129 Ų | 129 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -7.7 | 134.7 | 164.3 | -155.8 | 0 | 0 | 0 | 0 | 117.1 | | |
| 630 | S | 31.2 | Very low | 33.4 | Very low | 85 Ų | 85 | 129.7 Ų | 129.7 | 59% | 0.594 | 77% | 0.771 | S | S | * | * | | | | -172.4 | 167.2 | 69.1 | 59.3 | 0 | 0 | 0 | 0 | 115.7 | | |
| 631 | Q | 33.5 | Very low | 33.7 | Very low | 182 Ų | 182 | 127.9 Ų | 127.9 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | | | trans | 75.6 | 119.9 | 162.1 | -69.4 | 166.7 | 99.5 | 0 | 0 | 119.5 | | |
| 632 | T | 30.8 | Very low | 33.5 | Very low | 133 Ų | 133 | 128 Ų | 128 | 82% | 0.816 | 77% | 0.768 | S | S | * | * | | | trans | -77.6 | 179.5 | 160.6 | 47 | 0 | 0 | 0 | 0 | 109.5 | | |
| 633 | P | 43.1 | Very low | 34.1 | Very low | 101 Ų | 101 | 125.9 Ų | 125.9 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | | | cis | -145.2 | -179.2 | 20.4 | 40.5 | -18.4 | 0 | 0 | 0 | 118.6 | | |
| 634 | Q | 31.4 | Very low | 33.6 | Very low | 184 Ų | 184 | 125 Ų | 125 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | | | trans | 70.5 | 132.8 | 169.1 | -45.3 | -173 | 20.1 | 0 | 0 | 114.4 | | |
| 635 | S | 29.9 | Very low | 33.6 | Very low | 114 Ų | 114 | 124.9 Ų | 124.9 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | | | cis | -156.3 | -177.7 | -7.2 | 60.6 | 0 | 0 | 0 | 0 | 107.6 | | |
| 636 | S | 32.7 | Very low | 33.5 | Very low | 96 Ų | 96 | 123.2 Ų | 123.2 | 67% | 0.671 | 76% | 0.764 | S | S | * | * | | | cis | -159 | -157.4 | 11.7 | -156.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 637 | T | 33.7 | Very low | 33.8 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 68% | 0.681 | 76% | 0.757 | S | S | * | * | | | trans | -21.7 | 129 | 156.1 | 55.4 | 0 | 0 | 0 | 0 | 115.1 | | |
| 638 | S | 29.7 | Very low | 34 | Very low | 107 Ų | 107 | 124.5 Ų | 124.5 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | | | | 55.8 | 146.6 | 53.8 | 88.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 639 | S | 32.2 | Very low | 34.3 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 76% | 0.755 | 76% | 0.755 | S | S | * | * | | | cis | -152.3 | 164.9 | 11.7 | 57.7 | 0 | 0 | 0 | 0 | 112.8 | | |
| 640 | T | 36.4 | Very low | 35 | Very low | 130 Ų | 130 | 127.2 Ų | 127.2 | 80% | 0.798 | 76% | 0.755 | S | S | * | * | | | trans | -60.9 | 167.6 | 154.4 | 26.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 641 | P | 46.2 | Very low | 35.4 | Very low | 116 Ų | 116 | 130 Ų | 130 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | cis | -142.1 | -174.6 | 29 | 41.3 | -20 | 0 | 0 | 0 | 118.3 | | |
| 642 | T | 35.6 | Very low | 35.2 | Very low | 126 Ų | 126 | 127.2 Ų | 127.2 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | | | trans | -59.3 | 169 | 157.6 | 45.1 | 0 | 0 | 0 | 0 | 112 | | |
| 643 | P | 46.2 | Very low | 35.5 | Very low | 108 Ų | 108 | 129.6 Ų | 129.6 | 70% | 0.701 | 75% | 0.753 | S | S | * | * | | | cis | -157 | -169.3 | 38.6 | 42.4 | -17.7 | 0 | 0 | 0 | 120 | | |
| 644 | L | 29.6 | Very low | 35.7 | Very low | 153 Ų | 153 | 130.4 Ų | 130.4 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | | | trans | 81.9 | 120.3 | 156 | -64.1 | 177.5 | 0 | 0 | 0 | 122.9 | | |
| 645 | S | 31.6 | Very low | 35.7 | Very low | 110 Ų | 110 | 126.4 Ų | 126.4 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | | | trans | 70.3 | 149.4 | 132.4 | -60.8 | 0 | 0 | 0 | 0 | 120.4 | | |
| 646 | S | 32.6 | Very low | 35.7 | Very low | 109 Ų | 109 | 128.1 Ų | 128.1 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | | | cis | -152.5 | 172.3 | 1.7 | -161.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 647 | S | 33.9 | Very low | 35.6 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | | | trans | 66.5 | 144.2 | 169.1 | -70 | 0 | 0 | 0 | 0 | 118.4 | | |
| 648 | Q | 34.8 | Very low | 35.3 | Very low | 189 Ų | 189 | 130.9 Ų | 130.9 | 88% | 0.883 | 73% | 0.733 | S | S | * | * | | | cis | -148.3 | 169.6 | -16.1 | -120.3 | 177.9 | 34.1 | 0 | 0 | 110.4 | | |
| 649 | R | 33.6 | Very low | 35.3 | Very low | 190 Ų | 190 | 133.5 Ų | 133.5 | 72% | 0.717 | 73% | 0.733 | S | S | * | * | | | trans | -111.3 | 167.2 | -166.9 | -122.8 | -171.8 | 170.2 | -155.1 | -7.5 | 111.3 | H651 | R649-H651 PolarHBondContact NE-CD2 2.96Å; R649-H651 PolarHBondContact NE-NE2 3.49Å; R649-H651 PolarHBondContact NH2-CD2 3.45Å; R649-H651 PolarHBondContact NH2-NE2 3.37Å |
| 650 | P | 47.4 | Very low | 35.8 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | | | | -139.1 | 179.5 | 54.6 | 36.9 | -16.8 | 0 | 0 | 0 | 116.6 | | |
| 651 | H | 38.3 | Very low | 36.5 | Very low | 144 Ų | 144 | 133 Ų | 133 | 67% | 0.667 | 73% | 0.727 | S | S | * | * | | | trans | -124.4 | 166.6 | 170.3 | -54 | -139.9 | 0 | 0 | 0 | 109.3 | R649 | R649-H651 PolarHBondContact NE-CD2 2.96Å; R649-H651 PolarHBondContact NE-NE2 3.49Å; R649-H651 PolarHBondContact NH2-CD2 3.45Å; R649-H651 PolarHBondContact NH2-NE2 3.37Å |
| 652 | S | 29.2 | Very low | 36 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 86% | 0.86 | 73% | 0.732 | S | S | * | * | | | trans | -143.5 | 131.8 | 147.2 | 56.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 653 | R | 38 | Very low | 35.7 | Very low | 183 Ų | 183 | 133.7 Ų | 133.7 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | | | trans | -141.9 | 144.9 | 169.3 | -173.4 | -160.6 | 174 | -150.6 | -3.6 | 106.9 | H655 | R653-H655 PolarHBondContact NH1-CD2 2.85Å; R653-H655 PolarHBondContact NH1-NE2 3.35Å; R653-H655 PolarHBondContact NH2-CE1 2.86Å; R653-H655 PolarHBondContact NH2-ND1 2.86Å |
| 654 | P | 45.9 | Very low | 35.3 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 77% | 0.773 | 74% | 0.738 | S | S | * | * | | | | -131.9 | 149.4 | 124.7 | 40.9 | -32.1 | 0 | 0 | 0 | 109 | | |
| 655 | H | 33 | Very low | 36.1 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 46% | 0.458 | 74% | 0.739 | S | S | . | * | | | | 53.4 | 142.8 | 51 | -107 | -28 | 0 | 0 | 0 | 113 | R653 | R653-H655 PolarHBondContact NH1-CD2 2.85Å; R653-H655 PolarHBondContact NH1-NE2 3.35Å; R653-H655 PolarHBondContact NH2-CE1 2.86Å; R653-H655 PolarHBondContact NH2-ND1 2.86Å |
| 656 | L | 29 | Very low | 36.6 | Very low | 150 Ų | 150 | 134.3 Ų | 134.3 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | | | cis | -110.6 | 169.1 | 35.8 | -70.2 | 158.6 | 0 | 0 | 0 | 112 | | |
| 657 | R | 30.2 | Very low | 36.4 | Very low | 194 Ų | 194 | 139.8 Ų | 139.8 | 73% | 0.732 | 75% | 0.745 | S | S | * | * | | | cis | 63.6 | 137.1 | 49.9 | -108.2 | -159.1 | 167.8 | 91.5 | -3.5 | 111.7 | | |
| 658 | S | 27.6 | Very low | 36.6 | Very low | 71 Ų | 71 | 143.8 Ų | 143.8 | 50% | 0.497 | 75% | 0.75 | S | S | . | * | | | cis | -159.8 | -173.4 | -13.8 | 19.7 | 0 | 0 | 0 | 0 | 107.5 | | |
| 659 | H | 29.3 | Very low | 37 | Very low | 162 Ų | 162 | 140.9 Ų | 140.9 | 75% | 0.75 | 75% | 0.748 | S | S | * | * | | | cis | -150.3 | 175.3 | 22.4 | -65 | -109.2 | 0 | 0 | 0 | 111.4 | | |
| 660 | T | 44.3 | Very low | 37.4 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | | | trans | -147 | 130.4 | 153.2 | -44.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 661 | P | 50.1 | Low | 36.7 | Very low | 98 Ų | 98 | 136.4 Ų | 136.4 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | | | trans | -111.2 | 124.7 | 157.9 | 13.1 | 7.2 | 0 | 0 | 0 | 109.8 | | |
| 662 | H | 36.1 | Very low | 37 | Very low | 186 Ų | 186 | 134.2 Ų | 134.2 | 86% | 0.861 | 75% | 0.747 | S | S | * | * | | | | 68.4 | 126.5 | 95.2 | -49.4 | -35.5 | 0 | 0 | 0 | 114.1 | | |
| 663 | G | 30 | Very low | 37.3 | Very low | 71 Ų | 71 | 136.3 Ų | 136.3 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | | | cis | 169.5 | 147.1 | -8.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 664 | L | 36.8 | Very low | 37.2 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | | | trans | 28.5 | 136.3 | 150.5 | -58.7 | -177 | 0 | 0 | 0 | 120.2 | | |
| 665 | P | 46.8 | Very low | 37.2 | Very low | 128 Ų | 128 | 132.3 Ų | 132.3 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | | | | -124.1 | 156.3 | 72.3 | 37.5 | -31.8 | 0 | 0 | 0 | 115.3 | | |
| 666 | A | 41.5 | Very low | 37.7 | Very low | 94 Ų | 94 | 135.7 Ų | 135.7 | 78% | 0.777 | 77% | 0.769 | S | S | * | * | | | trans | -79.6 | 142.8 | 166 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 667 | Y | 28.2 | Very low | 37.9 | Very low | 224 Ų | 224 | 135.8 Ų | 135.8 | 88% | 0.878 | 77% | 0.769 | S | S | * | * | | | trans | -112.6 | 140.6 | 173.3 | -155 | -95.9 | 0 | 0 | 0 | 110.9 | | |
| 668 | K | 38.9 | Very low | 37.9 | Very low | 179 Ų | 179 | 138.5 Ų | 138.5 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 144.8 | -179.7 | -61.5 | 175.8 | -179.1 | 177.2 | 0 | 110.1 | P670 | K668-P670 VanDerWaalsContact O-CD 3.28Å; K668-P670 WeakPolarHBondContact O-CD 3.3Å |
| 669 | P | 41.7 | Very low | 38.2 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 121.4 | 165 | 30.1 | -31.3 | 0 | 0 | 0 | 110.2 | | |
| 670 | P | 42.8 | Very low | 38.1 | Very low | 118 Ų | 118 | 143.1 Ų | 143.1 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 157.4 | 161.6 | 34.4 | -33.6 | 0 | 0 | 0 | 110.5 | K668 | K668-P670 VanDerWaalsContact O-CD 3.28Å; K668-P670 WeakPolarHBondContact O-CD 3.3Å |
| 671 | S | 32.8 | Very low | 37.9 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 71% | 0.713 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -96 | 148.8 | 171.3 | 52 | 0 | 0 | 0 | 0 | 111.5 | | |
| 672 | S | 45.3 | Very low | 37.2 | Very low | 98 Ų | 98 | 143 Ų | 143 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | | | trans | 53.1 | 112.7 | 166.5 | 49 | 0 | 0 | 0 | 0 | 116.2 | | |
| 673 | D | 34.5 | Very low | 37.1 | Very low | 166 Ų | 166 | 140.2 Ų | 140.2 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | | -158 | -177.5 | 64.1 | -93.2 | -36.3 | 0 | 0 | 0 | 115.1 | | |
| 674 | S | 35.4 | Very low | 37.1 | Very low | 112 Ų | 112 | 140 Ų | 140 | 78% | 0.783 | 80% | 0.798 | S | S | * | * | | | trans | -77.2 | 171 | -175.9 | -136.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 675 | P | 47.6 | Very low | 37.2 | Very low | 106 Ų | 106 | 142.7 Ų | 142.7 | 69% | 0.688 | 80% | 0.803 | S | S | * | * | | | cis | -141.7 | 178.6 | 8.2 | 44.1 | -25.4 | 0 | 0 | 0 | 118.1 | | |
| 676 | L | 42.2 | Very low | 37 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | | | trans | 43.7 | 100.2 | 151.9 | -69.3 | 172.6 | 0 | 0 | 0 | 121.1 | | |
| 677 | L | 34.5 | Very low | 36.9 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 79% | 0.791 | 81% | 0.814 | S | S | * | * | | | | -164.2 | 143.8 | 126.1 | -166.7 | 60.9 | 0 | 0 | 0 | 110.5 | | |
| 678 | W | 30.1 | Very low | 37.2 | Very low | 252 Ų | 252 | 150 Ų | 150 | 96% | 0.955 | 81% | 0.806 | S | S | * | * | | | trans | -124 | 106 | 170.1 | -89.8 | 79.7 | 0 | 0 | 0 | 111.5 | | |
| 679 | T | 32.8 | Very low | 37.6 | Very low | 112 Ų | 112 | 146.9 Ų | 146.9 | 69% | 0.687 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 136.6 | 176.7 | -45.8 | 0 | 0 | 0 | 0 | 110.5 | P681 | T679-P681 WeakPolarHBondContact O-CD 3.32Š|
| 680 | Y | 27.7 | Very low | 37.3 | Very low | 217 Ų | 217 | 145.3 Ų | 145.3 | 85% | 0.851 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 128.8 | 173 | -106.5 | -95.9 | 0 | 0 | 0 | 111.8 | | |
| 681 | P | 40.9 | Very low | 36.7 | Very low | 117 Ų | 117 | 149.2 Ų | 149.2 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 143 | 155.6 | 33.6 | -29.7 | 0 | 0 | 0 | 110.4 | T679 | T679-P681 WeakPolarHBondContact O-CD 3.32Š|
| 682 | S | 34.6 | Very low | 36.4 | Very low | 107 Ų | 107 | 151.3 Ų | 151.3 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | | | trans | -143.3 | 129.8 | 176.3 | -77.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 683 | S | 33.8 | Very low | 36.2 | Very low | 129 Ų | 129 | 151.9 Ų | 151.9 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | -172.1 | 143.1 | 144.4 | 44.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 684 | G | 30.8 | Very low | 36.4 | Very low | 67 Ų | 67 | 150.6 Ų | 150.6 | 69% | 0.691 | 80% | 0.798 | S | S | * | * | | | cis | 178.6 | 171.4 | -9.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 685 | F | 38.4 | Very low | 36.5 | Very low | 219 Ų | 219 | 155.1 Ų | 155.1 | 96% | 0.961 | 80% | 0.798 | S | S | * | * | | | trans | -125.4 | 152.3 | 164.8 | -82.9 | -91.3 | 0 | 0 | 0 | 108.6 | | |
| 686 | R | 41.6 | Very low | 35.6 | Very low | 252 Ų | 252 | 154.3 Ų | 154.3 | 95% | 0.951 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 154.3 | -179.1 | -73.3 | -167.2 | -179.7 | -91.2 | 4 | 112.8 | | |
| 687 | R | 39.5 | Very low | 35.1 | Very low | 237 Ų | 237 | 151 Ų | 151 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 166.3 | -175.3 | -55.5 | 176.9 | 175.6 | 171.4 | -4.4 | 114.2 | | |
| 688 | P | 35 | Very low | 34.9 | Very low | 110 Ų | 110 | 148.1 Ų | 148.1 | 71% | 0.714 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -95.4 | 152.3 | 134.9 | 36.6 | -29.9 | 0 | 0 | 0 | 113 | | |
| 689 | P | 48.6 | Very low | 34.8 | Very low | 114 Ų | 114 | 143.9 Ų | 143.9 | 74% | 0.74 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -74.4 | 148.4 | 161 | 31.9 | -31.6 | 0 | 0 | 0 | 110.9 | | |
| 690 | A | 34 | Very low | 34.8 | Very low | 95 Ų | 95 | 144.5 Ų | 144.5 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | | | | 68.3 | 136 | 69.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 691 | Y | 29.8 | Very low | 35.3 | Very low | 199 Ų | 199 | 139.2 Ų | 139.2 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | | | cis | -157.7 | 175.3 | 1.5 | -171.8 | -128.4 | 0 | 0 | 0 | 111 | | |
| 692 | E | 27.9 | Very low | 34.7 | Very low | 146 Ų | 146 | 138.3 Ų | 138.3 | 68% | 0.682 | 77% | 0.767 | S | S | * | * | | | trans | 67.3 | 143.8 | 156 | -118.2 | 162.7 | 177.4 | 0 | 0 | 123.5 | | |
| 693 | S | 40.1 | Very low | 34.6 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 78% | 0.776 | 76% | 0.763 | S | S | * | * | | | trans | -127.9 | 143.6 | 173.6 | -53.2 | 0 | 0 | 0 | 0 | 109.5 | | |
| 694 | L | 39.9 | Very low | 34.3 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 72% | 0.723 | 74% | 0.735 | S | S | * | * | | | trans | -152.1 | 149.5 | 159.8 | -63.9 | -177.4 | 0 | 0 | 0 | 107.5 | | |
| 695 | R | 36.6 | Very low | 34.1 | Very low | 208 Ų | 208 | 137.4 Ų | 137.4 | 79% | 0.785 | 72% | 0.722 | S | S | * | * | | | cis | -150.4 | 153.7 | -13.9 | -105.6 | -177.7 | -144.5 | -155.1 | 4.3 | 105.9 | | |
| 696 | A | 29.1 | Very low | 34.3 | Very low | 89 Ų | 89 | 129.6 Ų | 129.6 | 74% | 0.736 | 69% | 0.693 | S | S | * | * | | | | 57.8 | 146.6 | 73.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 697 | S | 31.3 | Very low | 33.9 | Very low | 100 Ų | 100 | 122.4 Ų | 122.4 | 70% | 0.699 | 68% | 0.682 | S | S | * | * | | | cis | -134 | -136.7 | -5 | 47.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 698 | S | 30.8 | Very low | 33.6 | Very low | 91 Ų | 91 | 115.4 Ų | 115.4 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | | | cis | -154.5 | 137.4 | 12.8 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 699 | Q | 28.1 | Very low | 33.6 | Very low | 163 Ų | 163 | 117.9 Ų | 117.9 | 76% | 0.762 | 68% | 0.676 | S | S | * | * | | | | 44.4 | 118.1 | 127.8 | -55.5 | 170.5 | 7.6 | 0 | 0 | 120 | | |
| 700 | T | 31.4 | Very low | 32.8 | Very low | 125 Ų | 125 | 118.7 Ų | 118.7 | 77% | 0.767 | 68% | 0.679 | S | S | * | * | | | | 50.1 | 143.3 | 64.2 | 70.3 | 0 | 0 | 0 | 0 | 113.9 | | |
| 701 | P | 39.6 | Very low | 32.5 | Very low | 107 Ų | 107 | 117.5 Ų | 117.5 | 70% | 0.695 | 68% | 0.676 | S | S | * | * | | | cis | -151.1 | -179.8 | 40.8 | 38.9 | -16.3 | 0 | 0 | 0 | 118.6 | | |
| 702 | S | 27.9 | Very low | 32.5 | Very low | 98 Ų | 98 | 115.4 Ų | 115.4 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | | | trans | 56.7 | 142.8 | 144.2 | 54.9 | 0 | 0 | 0 | 0 | 120.6 | | |
| 703 | L | 31.6 | Very low | 32.6 | Very low | 125 Ų | 125 | 111.8 Ų | 111.8 | 65% | 0.654 | 69% | 0.685 | S | S | * | * | | | cis | -168.3 | 176 | -4.2 | -109 | 167.5 | 0 | 0 | 0 | 106.5 | I286 | I286-L703 HydrophobicContact CG2-CD2 3.32Š|
| 704 | Q | 27.4 | Very low | 31.9 | Very low | 68 Ų | 68 | 116.2 Ų | 116.2 | 32% | 0.318 | 69% | 0.693 | S | S | . | * | | | trans | 103.1 | 156.2 | 146.4 | -75.2 | 153.8 | -97.8 | 0 | 0 | 122.2 | I286 Y287 E288 | I286-Q704 VanDerWaalsContact CB-CA 3.43Å; I286-Q704 HydrophobicContact CG2-CG 4.48Å; Y287-Q704 VanDerWaalsContact C-CG 3.4Å; Y287-Q704 VanDerWaalsContact N-CA 3.33Å; Y287-Q704 WeakPolarHBondContact O-CB 3.47Å; Y287-Q704 WeakPolarHBondContact O-CG 3.31Å; Y287-Q704 PolarHBondContact O-NE2 3.17Å; E288-Q704 HydrophobicContact CB-CB 3.69Å; E288-Q704 HydrophobicContact CB-CG 4.28Å; E288-Q704 CarbonylContact O-C 2.88Å; E288-Q704 WeakPolarHBondContact O-CA 3.23Å; E288-Q704 WeakPolarHBondContact O-CB 3.46Å; E288-Q704 PolarHBondContact OE2-NE2 3.18Å |
| 705 | Q | 27.1 | Very low | 31.5 | Very low | 91 Ų | 91 | 113 Ų | 113 | 43% | 0.425 | 69% | 0.693 | S | S | . | * | | | trans | -154.1 | -120 | -163.9 | -148.5 | 100.3 | -96.5 | 0 | 0 | 113.8 | E284 I286 E288 | E284-Q705 PolarHBondContact O-NE2 2.65Å; I286-Q705 VanDerWaalsContact C-CB 3.41Å; I286-Q705 HydrophobicContact CB-CB 3.85Å; I286-Q705 HydrophobicContact CD1-CB 4.42Å; I286-Q705 HydrophobicContact CG1-CB 3.93Å; I286-Q705 VanDerWaalsContact O-CB 3.3Å; I286-Q705 WeakPolarHBondContact O-CB 3.4Å; E288-Q705 CarbonylContact C-O 3.56Å; E288-Q705 WeakPolarHBondContact CA-O 3.43Å; E288-Q705 PolarHBondContact N-O 2.67Å; E288-Q705 PolarHBondContact O-N 3.26Å |
| 706 | P | 43.9 | Very low | 31.2 | Very low | 54 Ų | 54 | 109.5 Ų | 109.5 | 35% | 0.351 | 70% | 0.695 | S | S | . | * | | | | -91.8 | -161.3 | -66.1 | 46.4 | -26.3 | 0 | 0 | 0 | 112.2 | Y287 | Y287-P706 HydrophobicContact CD2-CG 3.51Å; Y287-P706 HydrophobicContact CE2-CG 3.66Å; Y287-P706 HydrophobicContact CG-CG 4.04Å |
| 707 | S | 33 | Very low | 31.3 | Very low | 101 Ų | 101 | 110 Ų | 110 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | | | cis | -152.9 | 154.8 | 1.5 | -162.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 708 | S | 33.6 | Very low | 31.4 | Very low | 90 Ų | 90 | 115.2 Ų | 115.2 | 63% | 0.629 | 70% | 0.703 | S | S | * | * | | | trans | -4 | 135.5 | 158.1 | 59.6 | 0 | 0 | 0 | 0 | 121.4 | | |
| 709 | L | 33.7 | Very low | 31.3 | Very low | 163 Ų | 163 | 117 Ų | 117 | 85% | 0.853 | 72% | 0.715 | S | S | * | * | | | | -166.4 | 159.9 | 109.2 | -123.5 | 79.9 | 0 | 0 | 0 | 115.8 | | |
| 710 | T | 31.7 | Very low | 31.4 | Very low | 131 Ų | 131 | 116.1 Ų | 116.1 | 80% | 0.804 | 72% | 0.716 | S | S | * | * | | | trans | -59.8 | 158.9 | -174.8 | 52.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 711 | G | 28.2 | Very low | 31.4 | Very low | 70 Ų | 70 | 115.3 Ų | 115.3 | 72% | 0.722 | 72% | 0.715 | S | S | * | * | | | trans | 147.4 | 114.7 | 156.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 712 | V | 30.1 | Very low | 30.8 | Very low | 155 Ų | 155 | 114 Ų | 114 | 94% | 0.939 | 72% | 0.721 | S | S | * | * | | | cis | 92.4 | 124 | 42.5 | 177.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 713 | G | 28.7 | Very low | 31.1 | Very low | 69 Ų | 69 | 114.9 Ų | 114.9 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | | | trans | 99.3 | 155.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 714 | E | 27.1 | Very low | 30.9 | Very low | 204 Ų | 204 | 114.1 Ų | 114.1 | 95% | 0.953 | 73% | 0.732 | S | S | * | * | | | cis | 179.5 | 154.8 | -29.9 | -123.2 | -159.9 | 123.5 | 0 | 0 | 106.9 | | |
| 715 | G | 30.3 | Very low | 31.2 | Very low | 70 Ų | 70 | 116.2 Ų | 116.2 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | | | trans | 79.5 | 166.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 716 | V | 30.7 | Very low | 31.2 | Very low | 136 Ų | 136 | 120.6 Ų | 120.6 | 82% | 0.824 | 78% | 0.775 | S | S | * | * | | | cis | -165.2 | 144 | -30.9 | 112.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 717 | S | 31.2 | Very low | 30.5 | Very low | 98 Ų | 98 | 121.8 Ų | 121.8 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | | | trans | 41.4 | 120 | 156.8 | -60.5 | 0 | 0 | 0 | 0 | 125.2 | | |
| 718 | K | 33.9 | Very low | 30.5 | Very low | 211 Ų | 211 | 125.9 Ų | 125.9 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | | | | 40 | 116.7 | 124.4 | -62.4 | 177.2 | 177.5 | 175.4 | 0 | 120.5 | | |
| 719 | S | 28.6 | Very low | 30.3 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | | | trans | -140.3 | 164.1 | 152 | 66.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 720 | N | 30.3 | Very low | 30 | Very low | 145 Ų | 145 | 123.8 Ų | 123.8 | 78% | 0.775 | 80% | 0.795 | S | S | * | * | | | trans | -162.7 | 140.5 | -168.2 | 172.4 | 57.2 | 0 | 0 | 0 | 115.2 | | |
| 721 | S | 29.8 | Very low | 29.6 | Very low | 108 Ų | 108 | 126.1 Ų | 126.1 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | 62.2 | 151.1 | 161 | 70.9 | 0 | 0 | 0 | 0 | 120 | | |
| 722 | G | 27.8 | Very low | 30.1 | Very low | 79 Ų | 79 | 130.6 Ų | 130.6 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | | | trans | 142.5 | 120.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 723 | S | 33.4 | Very low | 30.7 | Very low | 118 Ų | 118 | 128 Ų | 128 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -101.6 | 168.3 | -175.2 | -54.9 | 0 | 0 | 0 | 0 | 115.2 | | |
| 724 | S | 28.8 | Very low | 30.7 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 79% | 0.791 | S | S | * | * | | | trans | 97.5 | 97.4 | 143.3 | 72.6 | 0 | 0 | 0 | 0 | 122.8 | | |
| 725 | S | 34 | Very low | 30.8 | Very low | 112 Ų | 112 | 130.5 Ų | 130.5 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | | | | 33.6 | 127.4 | 123.6 | 61.4 | 0 | 0 | 0 | 0 | 124.3 | | |
| 726 | Q | 27.5 | Very low | 30.8 | Very low | 183 Ų | 183 | 131.9 Ų | 131.9 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | | | trans | -162.8 | -179.2 | 147.5 | -94.9 | -126.7 | 72.5 | 0 | 0 | 111.6 | | |
| 727 | S | 29 | Very low | 30.7 | Very low | 79 Ų | 79 | 130.6 Ų | 130.6 | 55% | 0.552 | 77% | 0.768 | S | S | * | * | | | | -155.2 | 171.7 | -85.4 | 81.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 728 | K | 32.4 | Very low | 30.5 | Very low | 186 Ų | 186 | 130.4 Ų | 130.4 | 81% | 0.809 | 77% | 0.772 | S | S | * | * | | | trans | 68.2 | 158.7 | 167.7 | -84.5 | -177.9 | 157.6 | 68.8 | 0 | 117.5 | | |
| 729 | V | 29.3 | Very low | 30.5 | Very low | 131 Ų | 131 | 125.9 Ų | 125.9 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | | | cis | -151.9 | 159.4 | -2.4 | -111 | 0 | 0 | 0 | 0 | 111.2 | | |
| 730 | G | 26.7 | Very low | 30.7 | Very low | 78 Ų | 78 | 128.3 Ų | 128.3 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | 81.1 | 164.5 | 156.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 731 | F | 23.9 | Very low | 30.7 | Very low | 181 Ų | 181 | 125.2 Ų | 125.2 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | | | cis | -158.8 | 153.7 | -13.4 | 174.9 | -98.7 | 0 | 0 | 0 | 108.2 | | |
| 732 | M | 37.7 | Very low | 30.7 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 80% | 0.803 | 77% | 0.77 | S | S | * | * | | | trans | -143.9 | 146.1 | 179.2 | -76.9 | -83 | 99.8 | 0 | 0 | 109.5 | | |
| 733 | P | 43.5 | Very low | 30.9 | Very low | 101 Ų | 101 | 128.5 Ų | 128.5 | 66% | 0.656 | 77% | 0.769 | S | S | * | * | | | | -150.7 | 140.9 | 113.4 | 36.2 | -18.5 | 0 | 0 | 0 | 117.2 | | |
| 734 | W | 29.4 | Very low | 30.8 | Very low | 221 Ų | 221 | 129.9 Ų | 129.9 | 84% | 0.837 | 77% | 0.767 | S | S | * | * | | | | 57.6 | 98.2 | 121.1 | -147.8 | -108.3 | 0 | 0 | 0 | 120.6 | | |
| 735 | D | 28.4 | Very low | 30.9 | Very low | 104 Ų | 104 | 127.6 Ų | 127.6 | 56% | 0.556 | 76% | 0.761 | S | S | * | * | | | | 88.1 | 150.4 | 111.1 | -96.7 | 56.7 | 0 | 0 | 0 | 126.9 | | |
| 736 | S | 30.1 | Very low | 31 | Very low | 99 Ų | 99 | 126.6 Ų | 126.6 | 69% | 0.692 | 75% | 0.754 | S | S | * | * | | | trans | 69.9 | 148.8 | 140.8 | -78.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 737 | S | 28.2 | Very low | 30.8 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | | | cis | -167.7 | -161.9 | -13.3 | 58.8 | 0 | 0 | 0 | 0 | 110.4 | | |
| 738 | A | 28.7 | Very low | 31.1 | Very low | 95 Ų | 95 | 127.6 Ų | 127.6 | 79% | 0.785 | 74% | 0.739 | S | S | * | * | | | trans | 84.8 | 148.1 | 166.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 739 | S | 33.2 | Very low | 32.1 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 81% | 0.811 | 71% | 0.713 | S | S | * | * | | | trans | -118.3 | 167.7 | 176 | -52.9 | 0 | 0 | 0 | 0 | 109.5 | | |
| 740 | L | 32.2 | Very low | 32.2 | Very low | 177 Ų | 177 | 119.5 Ų | 119.5 | 93% | 0.927 | 70% | 0.7 | S | S | * | * | | | trans | 140.5 | 160.1 | 168.4 | -81.2 | 162.5 | 0 | 0 | 0 | 107.2 | | |
| 741 | A | 30.6 | Very low | 32.3 | Very low | 80 Ų | 80 | 123.4 Ų | 123.4 | 66% | 0.661 | 70% | 0.697 | S | S | * | * | | | cis | -175.2 | 169.2 | -35 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 742 | A | 30.7 | Very low | 32.6 | Very low | 106 Ų | 106 | 126.1 Ų | 126.1 | 88% | 0.876 | 70% | 0.702 | S | S | * | * | | | trans | 65 | 158.6 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 743 | D | 31.7 | Very low | 32.1 | Very low | 150 Ų | 150 | 126.9 Ų | 126.9 | 80% | 0.802 | 70% | 0.701 | S | S | * | * | | | cis | 179.1 | 151.2 | -27.4 | -163.2 | -137.7 | 0 | 0 | 0 | 102.8 | | |
| 744 | D | 31.5 | Very low | 31.6 | Very low | 148 Ų | 148 | 128 Ų | 128 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | | | | -174.5 | 165.6 | 64.6 | 164.5 | 36.5 | 0 | 0 | 0 | 108.7 | | |
| 745 | G | 31 | Very low | 31.6 | Very low | 61 Ų | 61 | 122.4 Ų | 122.4 | 63% | 0.629 | 70% | 0.695 | S | S | * | * | | | trans | 105.5 | 103 | 149.9 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 746 | S | 35.3 | Very low | 31.5 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 64% | 0.636 | 70% | 0.704 | S | S | * | * | | | trans | -126.7 | 122.4 | 172.9 | -73.7 | 0 | 0 | 0 | 0 | 113 | | |
| 747 | Y | 24 | Very low | 31.6 | Very low | 180 Ų | 180 | 125.5 Ų | 125.5 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | | | trans | -165.2 | 137.8 | 154.8 | -145 | -107.7 | 0 | 0 | 0 | 117.1 | P749 | Y747-P749 HydrophobicContact CD1-CG 4.36Å; Y747-P749 VanDerWaalsContact CE1-CD 3.47Å; Y747-P749 HydrophobicContact CE1-CG 3.63Å |
| 748 | W | 34.7 | Very low | 31.6 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 39% | 0.39 | 71% | 0.709 | S | S | . | * | | | trans | 176.6 | 122.5 | 157.8 | 44.5 | -36.7 | 0 | 0 | 0 | 111.4 | H316 H318 V319 | H316-W748 HydrophobicContact CB-CB 3.94Å; H316-W748 HydrophobicContact CB-CE3 4.15Å; H316-W748 HydrophobicContact CB-CG 4.47Å; H316-W748 AromaticContact CD2-CE3 3.71Å; H316-W748 AromaticContact CE1-CD2 3.24Å; H316-W748 AromaticContact CE1-CE2 3.53Å; H316-W748 AromaticContact CE1-CE3 3.36Å; H316-W748 AromaticContact CE1-CG 3.77Å; H316-W748 AromaticContact CE1-CZ3 3.86Å; H316-W748 AromaticContact CE1-NE1 3.95Å; H316-W748 AromaticContact CG-CD2 3.76Å; H316-W748 AromaticContact CG-CE3 3.44Å; H316-W748 VanDerWaalsContact CG-CE3 3.44Å; H316-W748 AromaticContact ND1-CD1 3.79Å; H316-W748 AromaticContact ND1-CD2 3.06Å; H316-W748 AromaticContact ND1-CE2 3.8Å; H316-W748 AromaticContact ND1-CE3 3.25Å; H316-W748 AromaticContact ND1-CG 3.17Å; H316-W748 AromaticContact NE2-CE3 3.67Å; H316-W748 AromaticContact NE2-CZ3 3.84Å; H318-W748 CarbonylContact C-O 3.58Å; H318-W748 WeakPolarHBondContact CA-O 3.44Å; H318-W748 HydrophobicContact CB-CB 4.01Å; H318-W748 HydrophobicContact CB-CD2 3.13Å; H318-W748 HydrophobicContact CB-CE3 3.65Å; H318-W748 HydrophobicContact CB-CG 3.32Å; H318-W748 HydrophobicContact CB-CH2 4.21Å; H318-W748 HydrophobicContact CB-CZ2 3.83Å; H318-W748 HydrophobicContact CB-CZ3 4.15Å; H318-W748 WeakPolarHBondContact CB-O 3.49Å; H318-W748 AromaticContact CD2-CD1 3.59Å; H318-W748 AromaticContact CD2-CE2 3.6Å; H318-W748 AromaticContact CD2-NE1 3.21Å; H318-W748 PolarHBondContact CD2-NE1 3.33Å; H318-W748 AromaticContact CG-CD1 4Å; H318-W748 AromaticContact CG-CE2 3.62Å; H318-W748 AromaticContact CG-CZ2 3.95Å; H318-W748 AromaticContact CG-NE1 3.7Å; V319-W748 WeakPolarHBondContact CA-O 3.35Å; V319-W748 WeakPolarHBondContact CB-O 3.38Å; V319-W748 PolarHBondContact N-O 3.12Å; V319-W748 VanDerWaalsContact N-O 3.16Å |
| 749 | P | 52.4 | Low | 31.6 | Very low | 39 Ų | 39 | 127.7 Ų | 127.7 | 25% | 0.253 | 70% | 0.704 | S | S | . | * | B | Isolated β-bridge | trans | -124.5 | 110.7 | 173.6 | 5.1 | 19.3 | 0 | 0 | 0 | 122 | Y317 H318 V319 Y747 | Y317-P749 VanDerWaalsContact CD1-C 3.45Å; Y317-P749 WeakPolarHBondContact CD1-O 3.47Å; Y317-P749 WeakPolarHBondContact CD2-O 3.46Å; H318-P749 CarbonylContact O-C 3.45Å; H318-P749 WeakPolarHBondContact O-CA 3.39Å; V319-P749 HydrophobicContact CB-CB 4.2Å; V319-P749 HydrophobicContact CB-CG 4.43Å; Y747-P749 HydrophobicContact CD1-CG 4.36Å; Y747-P749 VanDerWaalsContact CE1-CD 3.47Å; Y747-P749 HydrophobicContact CE1-CG 3.63Å |
| 750 | M | 32.2 | Very low | 31.4 | Very low | 107 Ų | 107 | 127.9 Ų | 127.9 | 53% | 0.527 | 71% | 0.705 | S | S | . | * | | | trans | 62.2 | 141.8 | 153.5 | -111.4 | 43.1 | 112 | 0 | 0 | 128.1 | Y317 H318 | Y317-M750 VanDerWaalsContact C-N 3.26Å; Y317-M750 WeakPolarHBondContact CD2-O 3.39Å; H318-M750 WeakPolarHBondContact O-CE 3.27Å; H318-M750 PolarHBondContact O-N 3.06Å |
| 751 | Q | 29 | Very low | 31.4 | Very low | 160 Ų | 160 | 128.8 Ų | 128.8 | 75% | 0.748 | 70% | 0.696 | S | S | * | * | | | trans | 75.9 | 123.9 | 132.3 | -90.1 | 167 | -3.5 | 0 | 0 | 128.9 | | |
| 752 | R | 30.2 | Very low | 31.2 | Very low | 239 Ų | 239 | 131.7 Ų | 131.7 | 90% | 0.902 | 70% | 0.696 | S | S | * | * | | | | 162.5 | 139.8 | 115.8 | -90.6 | 178.1 | -68.2 | 164.1 | -1.5 | 110.1 | | |
| 753 | K | 28 | Very low | 31.6 | Very low | 178 Ų | 178 | 130.7 Ų | 130.7 | 77% | 0.774 | 69% | 0.688 | S | S | * | * | | | cis | 89.2 | 124.8 | 0.2 | -133.9 | -165 | -179 | -174.9 | 0 | 120 | | |
| 754 | L | 32.5 | Very low | 31.5 | Very low | 125 Ų | 125 | 131.1 Ų | 131.1 | 65% | 0.654 | 69% | 0.685 | S | S | * | * | | | trans | 75 | 149.2 | 170.3 | -49.7 | -179.4 | 0 | 0 | 0 | 115.2 | F756 | L754-F756 HydrophobicContact CD1-CE2 4.31Å; L754-F756 HydrophobicContact CD2-CE2 4.1Å |
| 755 | S | 28.2 | Very low | 31.5 | Very low | 103 Ų | 103 | 130.9 Ų | 130.9 | 72% | 0.72 | 68% | 0.677 | S | S | * | * | | | cis | -145.1 | 148.8 | 33.4 | -73.7 | 0 | 0 | 0 | 0 | 112.3 | | |
| 756 | F | 27.3 | Very low | 31.5 | Very low | 167 Ų | 167 | 133.9 Ų | 133.9 | 73% | 0.732 | 68% | 0.679 | S | S | * | * | | | | 54.7 | 149.9 | 85.9 | -61 | -63.8 | 0 | 0 | 0 | 115.6 | L754 | L754-F756 HydrophobicContact CD1-CE2 4.31Å; L754-F756 HydrophobicContact CD2-CE2 4.1Å |
| 757 | S | 31.9 | Very low | 31.3 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | | | cis | -173.8 | 175.6 | -4.1 | -103.6 | 0 | 0 | 0 | 0 | 109.4 | | |
| 758 | H | 27.6 | Very low | 31.9 | Very low | 185 Ų | 185 | 130 Ų | 130 | 86% | 0.856 | 67% | 0.674 | S | S | * | * | | | cis | 178.6 | 121.2 | -31.9 | 170.3 | -77.2 | 0 | 0 | 0 | 111.1 | | |
| 759 | G | 29.3 | Very low | 31.8 | Very low | 66 Ų | 66 | 134.8 Ų | 134.8 | 68% | 0.68 | 69% | 0.692 | S | S | * | * | | | trans | 144.7 | 164.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 760 | S | 29.9 | Very low | 31 | Very low | 120 Ų | 120 | 136.9 Ų | 136.9 | 84% | 0.839 | 71% | 0.713 | S | S | * | * | | | cis | -169.3 | 175.7 | -0.9 | -134.5 | 0 | 0 | 0 | 0 | 108.1 | | |
| 761 | R | 31.1 | Very low | 31 | Very low | 195 Ų | 195 | 141.5 Ų | 141.5 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | | | cis | -159.3 | 171.2 | 0.9 | -148.7 | -163 | 159.1 | -167.6 | -15.6 | 111.4 | | |
| 762 | E | 27.1 | Very low | 31.5 | Very low | 141 Ų | 141 | 140 Ų | 140 | 66% | 0.659 | 72% | 0.722 | S | S | * | * | | | trans | -17.4 | 167.1 | 153.3 | -74.1 | 160.2 | -104.5 | 0 | 0 | 122.8 | | |
| 763 | A | 38.3 | Very low | 31.7 | Very low | 85 Ų | 85 | 132 Ų | 132 | 70% | 0.702 | 71% | 0.713 | S | S | * | * | | | cis | -172 | -157.2 | -10.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 764 | E | 30.2 | Very low | 31.6 | Very low | 160 Ų | 160 | 129.5 Ų | 129.5 | 75% | 0.748 | 72% | 0.718 | S | S | * | * | | | trans | 77.3 | 139.4 | -174.5 | -56.5 | -132.9 | 126.2 | 0 | 0 | 114.6 | | |
| 765 | K | 31.8 | Very low | 31.7 | Very low | 142 Ų | 142 | 127.1 Ų | 127.1 | 62% | 0.617 | 72% | 0.716 | S | S | * | * | | | cis | -160.6 | 164.1 | 13.2 | -148.9 | 90.1 | -179.3 | -177.2 | 0 | 109.4 | | |
| 766 | D | 30.7 | Very low | 32.1 | Very low | 124 Ų | 124 | 129.8 Ų | 129.8 | 66% | 0.663 | 72% | 0.723 | S | S | * | * | | | cis | -151.5 | 165.7 | -15.5 | -124.4 | 159 | 0 | 0 | 0 | 107.6 | | |
| 767 | E | 32.1 | Very low | 32.3 | Very low | 126 Ų | 126 | 126.3 Ų | 126.3 | 59% | 0.589 | 73% | 0.725 | S | S | * | * | | | | 33.2 | 135.9 | 91.1 | -174.6 | 82.9 | 119.5 | 0 | 0 | 115.7 | R769 | E767-R769 VanDerWaalsContact CD-NH1 3.26Å; E767-R769 IonicContact OE1-CZ 2.65Å; E767-R769 IonicContact OE1-NH1 2.8Å; E767-R769 PolarHBondContact OE1-NH1 3.45Å; E767-R769 IonicContact OE1-NH2 3.74Å; E767-R769 PolarHBondContact OE1-NH2 2.93Å; E767-R769 IonicContact OE2-CZ 3.89Å; E767-R769 IonicContact OE2-NH1 3.51Å; E767-R769 PolarHBondContact OE2-NH1 3.26Å; E767-R769 IonicContact OE2-NH2 2.67Å |
| 768 | G | 34.9 | Very low | 32.5 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 73% | 0.73 | S | S | * | * | | | cis | -175.3 | 178 | -5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 769 | R | 33.5 | Very low | 32.8 | Very low | 203 Ų | 203 | 126.2 Ų | 126.2 | 77% | 0.766 | 72% | 0.721 | S | S | * | * | | | cis | -148.6 | 171.8 | 5.4 | -59.3 | 178.8 | -176.6 | -67.6 | -14.4 | 109.3 | E767 | E767-R769 VanDerWaalsContact CD-NH1 3.26Å; E767-R769 IonicContact OE1-CZ 2.65Å; E767-R769 IonicContact OE1-NH1 2.8Å; E767-R769 PolarHBondContact OE1-NH1 3.45Å; E767-R769 IonicContact OE1-NH2 3.74Å; E767-R769 PolarHBondContact OE1-NH2 2.93Å; E767-R769 IonicContact OE2-CZ 3.89Å; E767-R769 IonicContact OE2-NH1 3.51Å; E767-R769 PolarHBondContact OE2-NH1 3.26Å; E767-R769 IonicContact OE2-NH2 2.67Å |
| 770 | A | 34.5 | Very low | 33.1 | Very low | 84 Ų | 84 | 133.4 Ų | 133.4 | 69% | 0.694 | 73% | 0.728 | S | S | * | * | | | trans | -146 | -165 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 771 | W | 32.1 | Very low | 33.3 | Very low | 203 Ų | 203 | 135.5 Ų | 135.5 | 77% | 0.769 | 73% | 0.726 | S | S | * | * | | | trans | 76.6 | 154.3 | 158.5 | -83.7 | 39.6 | 0 | 0 | 0 | 117.9 | | |
| 772 | N | 41.1 | Very low | 33.3 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 70% | 0.695 | 72% | 0.723 | S | S | * | * | | | cis | -166.1 | 175.4 | -19.5 | -124.2 | 11.9 | 0 | 0 | 0 | 112.3 | | |
| 773 | G | 32.9 | Very low | 33.7 | Very low | 69 Ų | 69 | 132.3 Ų | 132.3 | 71% | 0.711 | 72% | 0.721 | S | S | * | * | | | trans | 137.4 | 145 | 152.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 774 | S | 26.4 | Very low | 33.4 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 89% | 0.888 | 72% | 0.72 | S | S | * | * | | | cis | -156.3 | -179.7 | -7.3 | -162.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 775 | A | 34.4 | Very low | 33.6 | Very low | 74 Ų | 74 | 134.4 Ų | 134.4 | 61% | 0.612 | 72% | 0.721 | S | S | * | * | | | trans | -138.5 | 169.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 776 | D | 37.2 | Very low | 33.7 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | | | trans | 65.8 | 124.7 | 155.1 | -60.8 | -42.2 | 0 | 0 | 0 | 123.8 | | |
| 777 | A | 32 | Very low | 33.8 | Very low | 93 Ų | 93 | 132.9 Ų | 132.9 | 77% | 0.769 | 74% | 0.736 | S | S | * | * | | | trans | -161.3 | 111.8 | 139.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 778 | L | 34.6 | Very low | 33.9 | Very low | 157 Ų | 157 | 135.7 Ų | 135.7 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | | 52.5 | 113.7 | 77.8 | -72.4 | 176.7 | 0 | 0 | 0 | 115.7 | | |
| 779 | L | 35.6 | Very low | 33.7 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 67% | 0.665 | 75% | 0.754 | S | S | * | * | | | | 176.5 | 128.7 | 106.8 | -87 | -169.6 | 0 | 0 | 0 | 115 | | |
| 780 | R | 35.3 | Very low | 33.7 | Very low | 217 Ų | 217 | 131.1 Ų | 131.1 | 82% | 0.819 | 75% | 0.754 | S | S | * | * | | | trans | 63.5 | 166.8 | 141.7 | -75.8 | -175.7 | -98.2 | -107.8 | 4 | 123.3 | | |
| 781 | M | 33.5 | Very low | 33.7 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 81% | 0.813 | 76% | 0.764 | S | S | * | * | | | trans | -82.6 | -176.7 | 179.1 | -49.3 | -99.6 | 54.7 | 0 | 0 | 110.4 | | |
| 782 | D | 32.3 | Very low | 33.6 | Very low | 124 Ų | 124 | 133.1 Ų | 133.1 | 66% | 0.663 | 77% | 0.77 | S | S | * | * | | | cis | -153.2 | 145.4 | 17.2 | -137.2 | -166.3 | 0 | 0 | 0 | 107.6 | | |
| 783 | K | 34.6 | Very low | 33.3 | Very low | 144 Ų | 144 | 130.2 Ų | 130.2 | 63% | 0.626 | 77% | 0.77 | S | S | * | * | | | | 64.9 | 129.8 | 84.4 | -159.7 | -171.2 | 175 | -127.2 | 0 | 116.1 | | |
| 784 | E | 31.5 | Very low | 33.6 | Very low | 146 Ų | 146 | 136.2 Ų | 136.2 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | | | trans | 51.6 | 158.8 | 160.4 | 74.1 | -153.8 | 154.6 | 0 | 0 | 119.6 | | |
| 785 | D | 35.3 | Very low | 34.1 | Very low | 143 Ų | 143 | 135 Ų | 135 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | | | cis | -166.9 | -170.7 | -33.4 | 179.2 | 30.3 | 0 | 0 | 0 | 105.3 | | |
| 786 | L | 33.5 | Very low | 34.1 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | 73.7 | 121.9 | 173.9 | -50.5 | 173.3 | 0 | 0 | 0 | 115.2 | | |
| 787 | G | 32.2 | Very low | 33.7 | Very low | 74 Ų | 74 | 134.5 Ų | 134.5 | 76% | 0.763 | 77% | 0.773 | S | S | * | * | | | trans | -124.5 | 143.2 | 165.6 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 788 | L | 35 | Very low | 34.5 | Very low | 186 Ų | 186 | 135 Ų | 135 | 97% | 0.974 | 77% | 0.769 | S | S | * | * | | | trans | -165.5 | 140.6 | 169.3 | -110.6 | 162.8 | 0 | 0 | 0 | 111.7 | | |
| 789 | G | 30.2 | Very low | 34.3 | Very low | 63 Ų | 63 | 133.7 Ų | 133.7 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | | | trans | 85.1 | 84.3 | 138.6 | 0 | 0 | 0 | 0 | 0 | 121.4 | | |
| 790 | S | 33.8 | Very low | 34.1 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | | 58.2 | 120.7 | 120.6 | -62.3 | 0 | 0 | 0 | 0 | 124.3 | | |
| 791 | R | 34.2 | Very low | 33.7 | Very low | 244 Ų | 244 | 134.1 Ų | 134.1 | 92% | 0.921 | 77% | 0.772 | S | S | * | * | | | trans | 78 | 141 | 133.5 | -67.7 | 176.8 | 164.6 | -117 | -3.4 | 120.3 | | |
| 792 | G | 30.2 | Very low | 33.4 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 88% | 0.876 | 77% | 0.769 | S | S | * | * | | | trans | -86.9 | -158.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 793 | G | 34.2 | Very low | 33.2 | Very low | 69 Ų | 69 | 129 Ų | 129 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | | | cis | 177 | -145.8 | 8.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 794 | Q | 39.2 | Very low | 33.2 | Very low | 194 Ų | 194 | 126.5 Ų | 126.5 | 91% | 0.907 | 78% | 0.78 | S | S | * | * | | | trans | 74.4 | 157.5 | 177.4 | -54.4 | -168.6 | 20.7 | 0 | 0 | 115.2 | | |
| 795 | S | 38.4 | Very low | 33.4 | Very low | 103 Ų | 103 | 126 Ų | 126 | 72% | 0.72 | 79% | 0.787 | S | S | * | * | | | cis | -166.4 | 167.3 | -13.5 | 41.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 796 | G | 33.4 | Very low | 33 | Very low | 69 Ų | 69 | 124.1 Ų | 124.1 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | | | trans | 145.9 | 108.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 797 | I | 28.1 | Very low | 33.4 | Very low | 153 Ų | 153 | 128.4 Ų | 128.4 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | | | cis | 82.2 | 127.4 | 36.9 | -57.7 | 177.2 | 0 | 0 | 0 | 112.3 | | |
| 798 | P | 50.2 | Low | 33.4 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | | | cis | -136.6 | -166.9 | -13 | 35.2 | -13.5 | 0 | 0 | 0 | 115.5 | | |
| 799 | V | 29.7 | Very low | 33.3 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | trans | 135.5 | 143.5 | 142 | 178 | 0 | 0 | 0 | 0 | 112.5 | | |
| 800 | H | 31.3 | Very low | 33.4 | Very low | 166 Ų | 166 | 128.5 Ų | 128.5 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | -130.1 | 167.4 | -164.4 | -60.1 | -117.4 | 0 | 0 | 0 | 113.4 | | |
| 801 | F | 27.1 | Very low | 33.6 | Very low | 187 Ų | 187 | 131 Ų | 131 | 82% | 0.82 | 78% | 0.783 | S | S | * | * | | | | 128.4 | 129 | 117.7 | -139.7 | -101.9 | 0 | 0 | 0 | 118 | | |
| 802 | S | 27.1 | Very low | 33.6 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | | | trans | 61.7 | 154.9 | 159.9 | -82.5 | 0 | 0 | 0 | 0 | 123 | | |
| 803 | G | 27.3 | Very low | 33.7 | Very low | 72 Ų | 72 | 129.1 Ų | 129.1 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | | | trans | 103.2 | 97 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 804 | A | 34.4 | Very low | 33.7 | Very low | 93 Ų | 93 | 129.3 Ų | 129.3 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | | | cis | 78.1 | 146 | 45.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 805 | T | 37.1 | Very low | 33.4 | Very low | 135 Ų | 135 | 127.3 Ų | 127.3 | 83% | 0.828 | 76% | 0.759 | S | S | * | * | | | trans | 68.3 | 138.1 | -166.9 | 76.7 | 0 | 0 | 0 | 0 | 114.6 | | |
| 806 | S | 26.7 | Very low | 33 | Very low | 103 Ų | 103 | 127.1 Ų | 127.1 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | | | cis | 83.6 | 75.6 | 12.6 | 92.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 807 | R | 41.2 | Very low | 32.7 | Very low | 250 Ų | 250 | 127.3 Ų | 127.3 | 94% | 0.943 | 77% | 0.765 | S | S | * | * | | | trans | -170 | 146.1 | 149.7 | -100.9 | 160.1 | -168.5 | -164.6 | 4.1 | 109.7 | | |
| 808 | A | 32.1 | Very low | 32.9 | Very low | 80 Ų | 80 | 126.7 Ų | 126.7 | 66% | 0.661 | 77% | 0.769 | S | S | * | * | | | cis | -171.4 | 136.4 | -27.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 809 | L | 33.9 | Very low | 31.8 | Very low | 183 Ų | 183 | 128.4 Ų | 128.4 | 96% | 0.958 | 77% | 0.772 | S | S | * | * | | | trans | 55.9 | 153.2 | 162.4 | -81.2 | 65.6 | 0 | 0 | 0 | 118.4 | | |
| 810 | G | 31.4 | Very low | 31.6 | Very low | 63 Ų | 63 | 126.8 Ų | 126.8 | 65% | 0.649 | 77% | 0.766 | S | S | * | * | | | cis | -153.4 | 168.3 | -7.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 811 | H | 38.4 | Very low | 31.6 | Very low | 160 Ų | 160 | 124.2 Ų | 124.2 | 74% | 0.741 | 77% | 0.767 | S | S | * | * | | | | 37.6 | 126.8 | 59.2 | -99.4 | -87.3 | 0 | 0 | 0 | 113 | | |
| 812 | C | 33.4 | Very low | 32.7 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 78% | 0.784 | 77% | 0.767 | S | S | * | * | | | cis | -131.2 | 162.5 | 27.3 | 52.2 | 0 | 0 | 0 | 0 | 113 | | |
| 813 | E | 33.5 | Very low | 32.8 | Very low | 174 Ų | 174 | 119.6 Ų | 119.6 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | | | cis | -120.4 | 152.7 | -1.2 | -68.8 | -175.6 | 86.3 | 0 | 0 | 109.9 | | |
| 814 | S | 33.3 | Very low | 32.9 | Very low | 72 Ų | 72 | 125.3 Ų | 125.3 | 50% | 0.503 | 77% | 0.771 | S | S | . | * | | | | 63.8 | 135.8 | 57.6 | -117.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 815 | L | 34.3 | Very low | 32.9 | Very low | 153 Ų | 153 | 131.4 Ų | 131.4 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | | | cis | -126.7 | 141 | 7.9 | -73.3 | 158.6 | 0 | 0 | 0 | 109.1 | | |
| 816 | A | 29.2 | Very low | 32.5 | Very low | 98 Ų | 98 | 129.1 Ų | 129.1 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | | | | 55.9 | 130.8 | 77 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 817 | G | 27.4 | Very low | 32.9 | Very low | 73 Ų | 73 | 132.1 Ų | 132.1 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | | | cis | 173.5 | -177.6 | -4.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 818 | V | 31.3 | Very low | 33.6 | Very low | 141 Ų | 141 | 125 Ų | 125 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | | | trans | 40.6 | 103.5 | 154.8 | 179.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 819 | D | 27.3 | Very low | 33.6 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | | | | 58.5 | 127.9 | 118 | -141.1 | -5 | 0 | 0 | 0 | 123.4 | | |
| 820 | S | 26 | Very low | 33.4 | Very low | 94 Ų | 94 | 127.8 Ų | 127.8 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | | | trans | 51.3 | 112.8 | 147.2 | -71.3 | 0 | 0 | 0 | 0 | 123.9 | | |
| 821 | S | 30.3 | Very low | 33.2 | Very low | 112 Ų | 112 | 128.7 Ų | 128.7 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | | | trans | 78.7 | 161.5 | 135.8 | -60.1 | 0 | 0 | 0 | 0 | 119.7 | | |
| 822 | P | 50.4 | Low | 32.8 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | cis | -136.5 | 155 | -45.7 | 37.7 | -23 | 0 | 0 | 0 | 114.3 | | |
| 823 | G | 29 | Very low | 33.8 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | trans | 174.3 | 92.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 824 | F | 30.8 | Very low | 34.1 | Very low | 192 Ų | 192 | 128.5 Ų | 128.5 | 84% | 0.842 | 79% | 0.785 | S | S | * | * | | | | 66.5 | 121.4 | 74.6 | -117.1 | -64.4 | 0 | 0 | 0 | 116.8 | | |
| 825 | R | 33.6 | Very low | 34.9 | Very low | 221 Ų | 221 | 130.5 Ų | 130.5 | 83% | 0.834 | 80% | 0.796 | S | S | * | * | | | trans | 88.5 | 135.6 | 163.3 | -53.7 | -168.7 | -165.4 | -92.2 | 0.4 | 120.8 | | |
| 826 | A | 28.7 | Very low | 34.7 | Very low | 87 Ų | 87 | 128 Ų | 128 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | | | trans | 66.6 | 114.1 | 143.7 | 0 | 0 | 0 | 0 | 0 | 118.9 | | |
| 827 | L | 35.7 | Very low | 35 | Very low | 166 Ų | 166 | 131.5 Ų | 131.5 | 87% | 0.869 | 79% | 0.79 | S | S | * | * | | | | 46.2 | 143.9 | 61.8 | -68.7 | -178.8 | 0 | 0 | 0 | 115 | | |
| 828 | P | 55.5 | Low | 35 | Very low | 99 Ų | 99 | 134.1 Ų | 134.1 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | | | cis | -139.3 | -164.5 | -8.1 | 39.8 | -19.7 | 0 | 0 | 0 | 114.4 | | |
| 829 | R | 32.8 | Very low | 34.8 | Very low | 240 Ų | 240 | 136.7 Ų | 136.7 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | | | trans | 60.7 | 118.8 | 160.4 | -66.6 | 179.2 | 172.8 | -165.5 | -2.2 | 116.7 | | |
| 830 | G | 29.6 | Very low | 36 | Very low | 83 Ų | 83 | 135.6 Ų | 135.6 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | | | | 92.4 | 114.2 | 53.5 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 831 | G | 25.9 | Very low | 36.2 | Very low | 81 Ų | 81 | 135.4 Ų | 135.4 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | | | trans | -178.3 | 140.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 832 | L | 31.6 | Very low | 36.2 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | | | trans | -91 | -171.5 | 166.6 | -53 | 162.8 | 0 | 0 | 0 | 108.6 | | |
| 833 | P | 52.8 | Low | 35.4 | Very low | 118 Ų | 118 | 142 Ų | 142 | 77% | 0.766 | 81% | 0.806 | S | S | * | * | | | cis | -135.7 | -167.8 | -9.5 | 31.6 | -7.5 | 0 | 0 | 0 | 114.9 | | |
| 834 | L | 40 | Very low | 35.7 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 82% | 0.817 | 81% | 0.81 | S | S | * | * | | | trans | -33.9 | 157.1 | 152.8 | -70.8 | 168.5 | 0 | 0 | 0 | 115.3 | | |
| 835 | P | 50.5 | Low | 35.9 | Very low | 114 Ų | 114 | 140.4 Ų | 140.4 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | | | | -160.1 | 167.3 | 64.2 | 44.3 | -22.5 | 0 | 0 | 0 | 122.4 | | |
| 836 | C | 29.5 | Very low | 36 | Very low | 102 Ų | 102 | 138.7 Ų | 138.7 | 69% | 0.689 | 81% | 0.807 | S | S | * | * | | | trans | 62.7 | 131.1 | 138.6 | -75.9 | 0 | 0 | 0 | 0 | 126.3 | | |
| 837 | Q | 35.6 | Very low | 36.5 | Very low | 170 Ų | 170 | 140.9 Ų | 140.9 | 79% | 0.794 | 81% | 0.812 | S | S | * | * | | | trans | 71.4 | 155 | 141.4 | -60.7 | 170.2 | 35.9 | 0 | 0 | 117.7 | | |
| 838 | T | 28.2 | Very low | 36.5 | Very low | 128 Ų | 128 | 136.2 Ų | 136.2 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | cis | -147.1 | 179.3 | 8.7 | -20.5 | 0 | 0 | 0 | 0 | 112.8 | | |
| 839 | F | 27.4 | Very low | 35.7 | Very low | 196 Ų | 196 | 143.1 Ų | 143.1 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | | | trans | -93.3 | -173.9 | 178.7 | -76.6 | -84.2 | 0 | 0 | 0 | 113.4 | | |
| 840 | P | 53.1 | Low | 36 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 75% | 0.753 | 82% | 0.82 | S | S | * | * | | | cis | -134.6 | -175.9 | -37.1 | 33.2 | -13.5 | 0 | 0 | 0 | 114.7 | | |
| 841 | A | 28.8 | Very low | 36.2 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 74% | 0.744 | 81% | 0.813 | S | S | * | * | | | trans | 138.5 | 102.4 | 130.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 842 | C | 30.2 | Very low | 36.7 | Very low | 130 Ų | 130 | 147.9 Ų | 147.9 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | | | trans | 38.4 | 122.7 | 134.8 | -54.9 | 0 | 0 | 0 | 0 | 125.1 | | |
| 843 | R | 34.7 | Very low | 37 | Very low | 248 Ų | 248 | 144.9 Ų | 144.9 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | | | | -151.9 | 152.4 | 128.4 | -169.5 | 167.5 | 174 | 176.1 | -1.6 | 111.3 | | |
| 844 | N | 33.9 | Very low | 36.1 | Very low | 159 Ų | 159 | 145.1 Ų | 145.1 | 85% | 0.85 | 82% | 0.816 | S | S | * | * | | | trans | -101.2 | 158.2 | -168.1 | -72.5 | -14.8 | 0 | 0 | 0 | 116.2 | | |
| 845 | G | 35 | Very low | 35.9 | Very low | 73 Ų | 73 | 143.4 Ų | 143.4 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | | | trans | 99.8 | 140 | 151.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 846 | E | 37.1 | Very low | 35.2 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | cis | -151.5 | 154.6 | -5.6 | -91.5 | -158.5 | 101.4 | 0 | 0 | 113.1 | | |
| 847 | V | 38.5 | Very low | 35.4 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | | | trans | 17.7 | 132.5 | 147.7 | -167 | 0 | 0 | 0 | 0 | 119.9 | | |
| 848 | G | 35.1 | Very low | 35.3 | Very low | 67 Ų | 67 | 136.4 Ų | 136.4 | 69% | 0.691 | 81% | 0.81 | S | S | * | * | | | cis | 157.9 | -159.8 | 1.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 849 | R | 38.7 | Very low | 35.6 | Very low | 245 Ų | 245 | 136.6 Ų | 136.6 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | | | trans | 91.5 | 79.9 | -178.5 | -56.3 | -177.1 | -174.7 | -104 | 1.7 | 118.2 | | |
| 850 | L | 40.7 | Very low | 36 | Very low | 187 Ų | 187 | 138.9 Ų | 138.9 | 98% | 0.979 | 81% | 0.814 | S | S | * | * | | | trans | -147.8 | 157.5 | 152 | -89.1 | 179.9 | 0 | 0 | 0 | 110.3 | | |
| 851 | G | 32 | Very low | 35.1 | Very low | 68 Ų | 68 | 141.9 Ų | 141.9 | 70% | 0.701 | 82% | 0.818 | S | S | * | * | | | trans | 132.5 | 106.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 852 | R | 38.2 | Very low | 35.1 | Very low | 249 Ų | 249 | 144.2 Ų | 144.2 | 94% | 0.94 | 82% | 0.823 | S | S | * | * | | | cis | 83.9 | 136.1 | 18 | -138.3 | 175.5 | -168.6 | -100.5 | 1.3 | 114.6 | | |
| 853 | S | 36.1 | Very low | 35.1 | Very low | 108 Ų | 108 | 141.5 Ų | 141.5 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | | | trans | -76.7 | 156.1 | -167.5 | -22.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 854 | S | 34.6 | Very low | 34.8 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | | 168 | 174.2 | 126.8 | -75.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 855 | S | 35.5 | Very low | 34.6 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -100.8 | 176.3 | -166.1 | -48.8 | 0 | 0 | 0 | 0 | 115.7 | | |
| 856 | A | 36.7 | Very low | 34.4 | Very low | 96 Ų | 96 | 133.5 Ų | 133.5 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | | | trans | 94.2 | 98.9 | 145.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 857 | A | 34.3 | Very low | 34.1 | Very low | 82 Ų | 82 | 130.6 Ų | 130.6 | 68% | 0.678 | 81% | 0.807 | S | S | * | * | | | | 48.1 | 86.1 | 119.9 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 858 | G | 32.1 | Very low | 33.6 | Very low | 60 Ų | 60 | 131 Ų | 131 | 62% | 0.619 | 80% | 0.8 | S | S | * | * | | | | 101.7 | 139.9 | 103 | 0 | 0 | 0 | 0 | 0 | 120.8 | | |
| 859 | V | 35.8 | Very low | 33.2 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | | | trans | 69.1 | 113.8 | 157.4 | -173.6 | 0 | 0 | 0 | 0 | 118.3 | | |
| 860 | R | 34.3 | Very low | 32.9 | Very low | 244 Ų | 244 | 131.7 Ų | 131.7 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | | | | -162.9 | 150 | 120.6 | -106.3 | 166.1 | -166.7 | -77.3 | -3.2 | 113.1 | | |
| 861 | Q | 34.7 | Very low | 32.3 | Very low | 178 Ų | 178 | 128.4 Ų | 128.4 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | -98.7 | 125.4 | 173.7 | -93.4 | -92.5 | 48.8 | 0 | 0 | 109.5 | | |
| 862 | V | 29 | Very low | 32.2 | Very low | 140 Ų | 140 | 130.9 Ų | 130.9 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | | | trans | -161.9 | 139.5 | 157.1 | 178.3 | 0 | 0 | 0 | 0 | 105.6 | | |
| 863 | G | 29.8 | Very low | 31.9 | Very low | 73 Ų | 73 | 126.4 Ų | 126.4 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | cis | 127.3 | 93.9 | -5.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 864 | G | 29.8 | Very low | 32.7 | Very low | 84 Ų | 84 | 126.5 Ų | 126.5 | 87% | 0.866 | 78% | 0.779 | S | S | * | * | | | trans | 131.7 | 136.7 | 163.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 865 | G | 28.4 | Very low | 32.6 | Very low | 73 Ų | 73 | 126.3 Ų | 126.3 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | | | trans | 100.1 | 127.7 | 162.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | | |
| 866 | D | 30.2 | Very low | 32.5 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | | | cis | -164.9 | 177.8 | -15.2 | -140.4 | -48.3 | 0 | 0 | 0 | 111.8 | | |
| 867 | V | 31.2 | Very low | 32.4 | Very low | 123 Ų | 123 | 132 Ų | 132 | 75% | 0.745 | 76% | 0.761 | S | S | * | * | | | trans | 64.1 | 146.7 | 171.5 | -112.2 | 0 | 0 | 0 | 0 | 116.8 | | |
| 868 | H | 28 | Very low | 32.3 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | | | cis | -160.3 | 156.2 | 13.2 | -170.1 | 47 | 0 | 0 | 0 | 112.9 | | |
| 869 | R | 27 | Very low | 32.3 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | | | trans | 66.7 | 159.3 | 163 | -80.4 | 176.8 | -172 | -107.1 | 12.7 | 119.6 | | |
| 870 | Q | 31.8 | Very low | 32.1 | Very low | 141 Ų | 141 | 137 Ų | 137 | 66% | 0.659 | 77% | 0.768 | S | S | * | * | | | cis | -171 | 168.5 | -36.3 | -124.5 | -179.5 | -19.3 | 0 | 0 | 109.2 | | |
| 871 | S | 28.2 | Very low | 32 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | | | trans | 62.7 | 150.4 | 170.4 | 48.8 | 0 | 0 | 0 | 0 | 117.6 | | |
| 872 | S | 31.3 | Very low | 31.9 | Very low | 119 Ų | 119 | 130 Ų | 130 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | | | cis | -158 | 160.3 | -12.2 | 39.8 | 0 | 0 | 0 | 0 | 112.1 | | |
| 873 | L | 32 | Very low | 32 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 81% | 0.812 | 75% | 0.748 | S | S | * | * | | | trans | -71.1 | 172.2 | 171.3 | -80.4 | 175.6 | 0 | 0 | 0 | 112 | | |
| 874 | P | 53 | Low | 32.1 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | | | cis | -147.1 | 156.5 | 41.1 | 46.3 | -25.6 | 0 | 0 | 0 | 119.1 | | |
| 875 | V | 32.4 | Very low | 32.3 | Very low | 120 Ų | 120 | 135 Ų | 135 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | | | | 63.4 | 130.6 | 109.2 | -177.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 876 | R | 33.2 | Very low | 32.9 | Very low | 202 Ų | 202 | 135.5 Ų | 135.5 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | | | cis | -115.3 | 175 | 37 | -56.2 | 176.1 | 73.5 | 117.6 | 12.9 | 113.1 | | |
| 877 | E | 33.2 | Very low | 34.2 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 63% | 0.626 | 75% | 0.745 | S | S | * | * | | | cis | -120.1 | -115.9 | 1.6 | -161.6 | 77.8 | -110 | 0 | 0 | 111.2 | | |
| 878 | A | 33.2 | Very low | 34.2 | Very low | 85 Ų | 85 | 132.2 Ų | 132.2 | 70% | 0.702 | 74% | 0.742 | S | S | * | * | | | cis | -154.3 | 154.6 | 0.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 879 | L | 31.8 | Very low | 35 | Very low | 164 Ų | 164 | 134.1 Ų | 134.1 | 86% | 0.859 | 75% | 0.751 | S | S | * | * | | | trans | -148.4 | 148.7 | -172.9 | -71.7 | 175.4 | 0 | 0 | 0 | 112.1 | | |
| 880 | N | 31.8 | Very low | 36 | Very low | 131 Ų | 131 | 129 Ų | 129 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | cis | -169 | 166.1 | -16.4 | -167.3 | 4.8 | 0 | 0 | 0 | 109.6 | | |
| 881 | Q | 31.5 | Very low | 36.9 | Very low | 156 Ų | 156 | 128.4 Ų | 128.4 | 73% | 0.729 | 76% | 0.757 | S | S | * | * | | | trans | 71.5 | 152.7 | 167.1 | -48.6 | -168.1 | 107.9 | 0 | 0 | 116.5 | | |
| 882 | L | 32.9 | Very low | 37.9 | Very low | 117 Ų | 117 | 128.7 Ų | 128.7 | 61% | 0.613 | 76% | 0.757 | S | S | * | * | | | cis | -154.9 | 141.7 | -3.8 | -151.6 | 66.2 | 0 | 0 | 0 | 110.8 | | |
| 883 | H | 31.8 | Very low | 38.2 | Very low | 179 Ų | 179 | 128.5 Ų | 128.5 | 83% | 0.829 | 76% | 0.756 | S | S | * | * | | | trans | 59 | 165.3 | 172.2 | -50.8 | 131.7 | 0 | 0 | 0 | 116.1 | | |
| 884 | G | 31.2 | Very low | 39.1 | Very low | 64 Ų | 64 | 127.3 Ų | 127.3 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | | | cis | 151.7 | 125.6 | -11 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 885 | V | 33.3 | Very low | 38.5 | Very low | 160 Ų | 160 | 127.7 Ų | 127.7 | 97% | 0.97 | 76% | 0.763 | S | S | * | * | | | trans | 82 | 154.1 | 174.9 | -167.8 | 0 | 0 | 0 | 0 | 116.6 | | |
| 886 | A | 40.9 | Very low | 39.3 | Very low | 83 Ų | 83 | 125 Ų | 125 | 69% | 0.686 | 76% | 0.76 | S | S | * | * | | | trans | -86.3 | -177.1 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 887 | P | 57.8 | Low | 40.4 | Very low | 127 Ų | 127 | 121.3 Ų | 121.3 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | cis | -97.3 | -156.5 | 40.7 | 40.6 | -41.8 | 0 | 0 | 0 | 114.9 | | |
| 888 | A | 32.4 | Very low | 41.3 | Very low | 82 Ų | 82 | 118.7 Ų | 118.7 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | | | cis | -152 | 176.9 | 10.6 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 889 | Q | 44.8 | Very low | 42.7 | Very low | 181 Ų | 181 | 119.1 Ų | 119.1 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | | | cis | 70.9 | 146.4 | 23.5 | -51.7 | -64 | 0.5 | 0 | 0 | 115.5 | | |
| 890 | A | 46.3 | Very low | 44.8 | Very low | 80 Ų | 80 | 114.1 Ų | 114.1 | 66% | 0.661 | 74% | 0.744 | S | S | * | * | | | cis | -173 | 173.3 | -17.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 891 | P | 52.4 | Low | 47 | Very low | 128 Ų | 128 | 116 Ų | 116 | 83% | 0.831 | 74% | 0.741 | S | S | * | * | | | cis | -123.6 | -168.1 | 5.3 | 44 | -28.6 | 0 | 0 | 0 | 114.5 | | |
| 892 | C | 48.2 | Very low | 49.5 | Very low | 124 Ų | 124 | 115.6 Ų | 115.6 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | | | trans | -100.4 | 169 | -171.7 | -65 | 0 | 0 | 0 | 0 | 115.4 | | |
| 893 | S | 37.8 | Very low | 52.1 | Low | 116 Ų | 116 | 115.3 Ų | 115.3 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | | | trans | -147.2 | 151.6 | 162.9 | -80.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 894 | P | 51.8 | Low | 54.9 | Low | 129 Ų | 129 | 112.3 Ų | 112.3 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 134.6 | -161.9 | 31.4 | -35.4 | 0 | 0 | 0 | 114.1 | | |
| 895 | S | 40 | Very low | 57.7 | Low | 120 Ų | 120 | 115.8 Ų | 115.8 | 84% | 0.839 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 123.6 | 167.9 | 41.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 896 | G | 48.9 | Very low | 60.6 | Low | 64 Ų | 64 | 113.6 Ų | 113.6 | 66% | 0.66 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 149.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | G898 | G896-G898 PolarHBondContact O-N 3.18Š|
| 897 | P | 55.2 | Low | 63.2 | Low | 123 Ų | 123 | 115.6 Ų | 115.6 | 80% | 0.799 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 124.3 | -177.2 | 27 | -34.3 | 0 | 0 | 0 | 111.3 | V899 | P897-V899 PolarHBondContact O-N 3.4Š|
| 898 | G | 53.6 | Low | 64.9 | Low | 80 Ų | 80 | 114.5 Ų | 114.5 | 83% | 0.825 | 68% | 0.684 | S | S | * | * | | | trans | -63.9 | 103.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | G896 S900 | G896-G898 PolarHBondContact O-N 3.18Å; G898-S900 PolarHBondContact O-N 2.99Å |
| 899 | V | 61.8 | Low | 67.9 | Low | 94 Ų | 94 | 115.4 Ų | 115.4 | 57% | 0.57 | 67% | 0.674 | S | S | * | * | | | trans | -56 | 124.2 | 179.1 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | P897 Q903 | P897-V899 PolarHBondContact O-N 3.4Å; V899-Q903 HydrophobicContact CG1-CB 4.06Å; V899-Q903 HydrophobicContact CG1-CG 3.94Å |
| 900 | S | 75.8 | Confident | 70.3 | Confident | 59 Ų | 59 | 112.9 Ų | 112.9 | 41% | 0.413 | 66% | 0.662 | S | S | . | * | | | trans | -64.7 | 144.9 | -173.2 | 75.3 | 0 | 0 | 0 | 0 | 111.8 | G898 Q902 Q903 Q904 | G898-S900 PolarHBondContact O-N 2.99Å; S900-Q902 PolarHBondContact O-N 3.27Å; S900-Q902 VanDerWaalsContact O-N 3.08Å; S900-Q903 WeakPolarHBondContact O-CA 3.34Å; S900-Q903 WeakPolarHBondContact O-CB 3.49Å; S900-Q903 PolarHBondContact O-N 2.67Å; S900-Q903 WeakPolarHBondContact OG-CB 3.3Å; S900-Q903 PolarHBondContact OG-N 3.31Å; S900-Q904 PolarHBondContact O-N 3.46Å |
| 901 | R | 78.2 | Confident | 72.7 | Confident | 170 Ų | 170 | 114.9 Ų | 114.9 | 64% | 0.642 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -55.5 | -31.1 | -179.9 | -170.1 | 180 | -178.9 | -132.4 | 1.7 | 112.9 | Q905 | R901-Q905 PolarHBondContact O-N 2.95Å; R901-Q905 VanDerWaalsContact O-N 3.1Å |
| 902 | Q | 83.9 | Confident | 74.8 | Confident | 147 Ų | 147 | 115.2 Ų | 115.2 | 69% | 0.687 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -69.7 | -41.7 | 175.5 | -171.2 | 179 | 40.6 | 0 | 0 | 112.2 | S900 Q905 L906 | S900-Q902 PolarHBondContact O-N 3.27Å; S900-Q902 VanDerWaalsContact O-N 3.08Å; Q902-Q905 PolarHBondContact O-N 2.93Å; Q902-L906 HydrophobicContact CG-CD1 4.48Å; Q902-L906 PolarHBondContact O-N 3.29Å |
| 903 | Q | 88.1 | Confident | 77.1 | Confident | 111 Ų | 111 | 113.9 Ų | 113.9 | 52% | 0.519 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -66.1 | -39.8 | 175.9 | -173.8 | 174.2 | 9.8 | 0 | 0 | 111.5 | V899 S900 Q905 L906 Q907 | V899-Q903 HydrophobicContact CG1-CB 4.06Å; V899-Q903 HydrophobicContact CG1-CG 3.94Å; S900-Q903 WeakPolarHBondContact O-CA 3.34Å; S900-Q903 WeakPolarHBondContact O-CB 3.49Å; S900-Q903 PolarHBondContact O-N 2.67Å; S900-Q903 WeakPolarHBondContact OG-CB 3.3Å; S900-Q903 PolarHBondContact OG-N 3.31Å; Q903-Q905 VanDerWaalsContact C-N 3.34Å; Q903-Q905 PolarHBondContact O-N 3.47Å; Q903-L906 PolarHBondContact O-N 3.31Å; Q903-Q907 WeakPolarHBondContact O-CB 3.4Å; Q903-Q907 PolarHBondContact O-N 2.91Å |
| 904 | Q | 90.1 | Very high | 79.9 | Confident | 116 Ų | 116 | 114.4 Ų | 114.4 | 54% | 0.542 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -61.1 | -41.6 | 172.6 | -168 | -179.8 | 37 | 0 | 0 | 111.9 | S900 Q907 L908 | S900-Q904 PolarHBondContact O-N 3.46Å; Q904-Q907 PolarHBondContact O-N 3.24Å; Q904-L908 WeakPolarHBondContact O-CG 3.47Å; Q904-L908 PolarHBondContact O-N 2.93Å |
| 905 | Q | 91.3 | Very high | 82.1 | Confident | 137 Ų | 137 | 113.6 Ų | 113.6 | 64% | 0.64 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.6 | -38.5 | 176.4 | -171.8 | 174.9 | -0.1 | 0 | 0 | 112.6 | R901 Q902 Q903 H909 | R901-Q905 PolarHBondContact O-N 2.95Å; R901-Q905 VanDerWaalsContact O-N 3.1Å; Q902-Q905 PolarHBondContact O-N 2.93Å; Q903-Q905 VanDerWaalsContact C-N 3.34Å; Q903-Q905 PolarHBondContact O-N 3.47Å; Q905-H909 PolarHBondContact O-N 3.25Å |
| 906 | L | 93.8 | Very high | 84.7 | Confident | 115 Ų | 115 | 114.8 Ų | 114.8 | 60% | 0.602 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -63.1 | -41.3 | 172.9 | -80.1 | 161 | 0 | 0 | 0 | 112 | Q902 Q903 H909 Q910 | Q902-L906 HydrophobicContact CG-CD1 4.48Å; Q902-L906 PolarHBondContact O-N 3.29Å; Q903-L906 PolarHBondContact O-N 3.31Å; L906-H909 PolarHBondContact O-N 2.96Å; L906-Q910 PolarHBondContact O-N 3.43Å |
| 907 | Q | 94.9 | Very high | 87 | Confident | 125 Ų | 125 | 118.3 Ų | 118.3 | 58% | 0.584 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -67.4 | -40.3 | 178.4 | -166.6 | 168.9 | 9.6 | 0 | 0 | 112.2 | Q903 Q904 Q910 Q911 | Q903-Q907 WeakPolarHBondContact O-CB 3.4Å; Q903-Q907 PolarHBondContact O-N 2.91Å; Q904-Q907 PolarHBondContact O-N 3.24Å; Q907-Q910 PolarHBondContact O-N 3.46Å; Q907-Q911 WeakPolarHBondContact O-CB 3.47Å; Q907-Q911 PolarHBondContact O-N 2.96Å |
| 908 | L | 94.3 | Very high | 89 | Confident | 103 Ų | 103 | 118.8 Ų | 118.8 | 54% | 0.539 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.4 | -38.4 | 171.8 | -72.4 | 170.7 | 0 | 0 | 0 | 112.3 | Q904 Q911 Q912 | Q904-L908 WeakPolarHBondContact O-CG 3.47Å; Q904-L908 PolarHBondContact O-N 2.93Å; L908-Q911 PolarHBondContact O-N 2.65Å; L908-Q912 WeakPolarHBondContact O-CB 3.33Å; L908-Q912 PolarHBondContact O-N 3.28Å |
| 909 | H | 94.7 | Very high | 91.1 | Very high | 101 Ų | 101 | 120.2 Ų | 120.2 | 47% | 0.468 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.8 | -39.8 | 176 | -173 | 56 | 0 | 0 | 0 | 112.3 | Q905 L906 Q912 L913 | Q905-H909 PolarHBondContact O-N 3.25Å; L906-H909 PolarHBondContact O-N 2.96Å; H909-Q912 PolarHBondContact O-N 3Å; H909-L913 WeakPolarHBondContact O-CG 3.43Å; H909-L913 PolarHBondContact O-N 3.41Å |
| 910 | Q | 95.9 | Very high | 92.8 | Very high | 129 Ų | 129 | 121.2 Ų | 121.2 | 60% | 0.603 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61 | -46.1 | 172.8 | -172.2 | -168.8 | 96.3 | 0 | 0 | 111.5 | L906 Q907 Q912 L913 Q914 | L906-Q910 PolarHBondContact O-N 3.43Å; Q907-Q910 PolarHBondContact O-N 3.46Å; Q910-Q912 VanDerWaalsContact C-N 3.32Å; Q910-Q912 PolarHBondContact O-N 3.44Å; Q910-L913 WeakPolarHBondContact O-CB 3.34Å; Q910-L913 PolarHBondContact O-N 2.88Å; Q910-Q914 PolarHBondContact O-N 2.68Å |
| 911 | Q | 96 | Very high | 93.7 | Very high | 122 Ų | 122 | 124.4 Ų | 124.4 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -60.1 | -41.5 | 176.8 | -175.2 | -179.6 | 82.1 | 0 | 0 | 111.8 | Q907 L908 L913 Q914 L915 | Q907-Q911 WeakPolarHBondContact O-CB 3.47Å; Q907-Q911 PolarHBondContact O-N 2.96Å; L908-Q911 PolarHBondContact O-N 2.65Å; Q911-L913 PolarHBondContact O-N 3.34Å; Q911-Q914 PolarHBondContact O-N 3.21Å; Q911-L915 WeakPolarHBondContact O-CB 3.29Å; Q911-L915 PolarHBondContact O-N 3.4Å |
| 912 | Q | 96.6 | Very high | 94.7 | Very high | 135 Ų | 135 | 121.9 Ų | 121.9 | 63% | 0.631 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -63.3 | -39.4 | 175.1 | -178.1 | 177.6 | 80.9 | 0 | 0 | 112.6 | L908 H909 Q910 K916 | L908-Q912 WeakPolarHBondContact O-CB 3.33Å; L908-Q912 PolarHBondContact O-N 3.28Å; H909-Q912 PolarHBondContact O-N 3Å; Q910-Q912 VanDerWaalsContact C-N 3.32Å; Q910-Q912 PolarHBondContact O-N 3.44Å; Q912-K916 WeakPolarHBondContact O-CB 3.32Å; Q912-K916 PolarHBondContact O-N 3.49Å |
| 913 | L | 96.7 | Very high | 95.2 | Very high | 95 Ų | 95 | 121.7 Ų | 121.7 | 50% | 0.497 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.2 | -42.4 | 175.1 | -73.9 | 167 | 0 | 0 | 0 | 111.9 | H909 Q910 Q911 K916 Q917 | H909-L913 WeakPolarHBondContact O-CG 3.43Å; H909-L913 PolarHBondContact O-N 3.41Å; Q910-L913 WeakPolarHBondContact O-CB 3.34Å; Q910-L913 PolarHBondContact O-N 2.88Å; Q911-L913 PolarHBondContact O-N 3.34Å; L913-K916 PolarHBondContact O-N 2.86Å; L913-Q917 PolarHBondContact O-N 3.38Å |
| 914 | Q | 96.8 | Very high | 95.6 | Very high | 128 Ų | 128 | 122.4 Ų | 122.4 | 60% | 0.598 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63.8 | -45.4 | 177.5 | -170.1 | 175.7 | 9.2 | 0 | 0 | 111.8 | Q910 Q911 K916 Q917 Q918 | Q910-Q914 PolarHBondContact O-N 2.68Å; Q911-Q914 PolarHBondContact O-N 3.21Å; Q914-K916 VanDerWaalsContact C-N 3.34Å; Q914-K916 PolarHBondContact O-N 2.97Å; Q914-Q917 WeakPolarHBondContact O-CB 3.39Å; Q914-Q917 PolarHBondContact O-N 2.65Å; Q914-Q918 PolarHBondContact O-N 3.12Å |
| 915 | L | 97 | Very high | 95.9 | Very high | 112 Ų | 112 | 122.6 Ų | 122.6 | 59% | 0.586 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -65.4 | -37.5 | 177.3 | -164.3 | 154 | 0 | 0 | 0 | 111.6 | Q911 Q918 L919 | Q911-L915 WeakPolarHBondContact O-CB 3.29Å; Q911-L915 PolarHBondContact O-N 3.4Å; L915-Q918 PolarHBondContact O-N 2.9Å; L915-L919 PolarHBondContact O-N 3.25Å |
| 916 | K | 96.2 | Very high | 96.1 | Very high | 144 Ų | 144 | 121.4 Ų | 121.4 | 63% | 0.626 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.4 | -39.8 | 172.9 | -174.5 | 178.3 | 178.8 | -177.9 | 0 | 112.4 | Q912 L913 Q914 L919 Q920 | Q912-K916 WeakPolarHBondContact O-CB 3.32Å; Q912-K916 PolarHBondContact O-N 3.49Å; L913-K916 PolarHBondContact O-N 2.86Å; Q914-K916 VanDerWaalsContact C-N 3.34Å; Q914-K916 PolarHBondContact O-N 2.97Å; K916-L919 PolarHBondContact O-N 3.31Å; K916-Q920 PolarHBondContact O-N 3.44Å |
| 917 | Q | 97.3 | Very high | 96.1 | Very high | 138 Ų | 138 | 121.1 Ų | 121.1 | 65% | 0.645 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.6 | -43.9 | 175.4 | -177 | 178.5 | 82.9 | 0 | 0 | 111.5 | L913 Q914 L919 Q920 Q921 | L913-Q917 PolarHBondContact O-N 3.38Å; Q914-Q917 WeakPolarHBondContact O-CB 3.39Å; Q914-Q917 PolarHBondContact O-N 2.65Å; Q917-L919 VanDerWaalsContact C-N 3.35Å; Q917-L919 PolarHBondContact O-N 2.98Å; Q917-Q920 PolarHBondContact O-N 3.22Å; Q917-Q921 PolarHBondContact O-N 3.3Å |
| 918 | Q | 96.5 | Very high | 96.2 | Very high | 133 Ų | 133 | 120.3 Ų | 120.3 | 62% | 0.621 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -60 | -43.3 | 175.8 | -171 | -179.6 | 10.1 | 0 | 0 | 111.9 | Q914 L915 Q920 Q921 L922 | Q914-Q918 PolarHBondContact O-N 3.12Å; L915-Q918 PolarHBondContact O-N 2.9Å; Q918-Q920 PolarHBondContact O-N 2.95Å; Q918-Q921 PolarHBondContact O-N 3Å; Q918-L922 PolarHBondContact O-N 3.49Å |
| 919 | L | 97.6 | Very high | 96.3 | Very high | 110 Ų | 110 | 121.7 Ų | 121.7 | 58% | 0.576 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -63.4 | -39.6 | 176.1 | -176 | 62.5 | 0 | 0 | 0 | 112.3 | L915 K916 Q917 Q921 L922 Q923 | L915-L919 PolarHBondContact O-N 3.25Å; K916-L919 PolarHBondContact O-N 3.31Å; Q917-L919 VanDerWaalsContact C-N 3.35Å; Q917-L919 PolarHBondContact O-N 2.98Å; L919-Q921 VanDerWaalsContact C-N 3.33Å; L919-Q921 PolarHBondContact O-N 3.46Å; L919-L922 PolarHBondContact O-N 3.23Å; L919-Q923 WeakPolarHBondContact O-CB 3.38Å; L919-Q923 PolarHBondContact O-N 3.48Å |
| 920 | Q | 97.1 | Very high | 96.3 | Very high | 115 Ų | 115 | 120.5 Ų | 120.5 | 54% | 0.537 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -66.9 | -32.7 | 175.9 | -171.6 | 177 | 11.7 | 0 | 0 | 112.6 | K916 Q917 Q918 Q924 | K916-Q920 PolarHBondContact O-N 3.44Å; Q917-Q920 PolarHBondContact O-N 3.22Å; Q918-Q920 PolarHBondContact O-N 2.95Å; Q920-Q924 PolarHBondContact O-N 3.36Å; Q920-Q924 PolarHBondContact O-NE2 3.29Å |
| 921 | Q | 95.9 | Very high | 96.2 | Very high | 127 Ų | 127 | 119.1 Ų | 119.1 | 59% | 0.593 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -69.7 | -43.6 | 173.5 | -167.7 | 177 | 24.5 | 0 | 0 | 111.2 | Q917 Q918 L919 Q923 Q924 Q925 | Q917-Q921 PolarHBondContact O-N 3.3Å; Q918-Q921 PolarHBondContact O-N 3Å; L919-Q921 VanDerWaalsContact C-N 3.33Å; L919-Q921 PolarHBondContact O-N 3.46Å; Q921-Q923 VanDerWaalsContact C-N 3.33Å; Q921-Q923 PolarHBondContact O-N 3.02Å; Q921-Q924 PolarHBondContact O-N 2.96Å; Q921-Q925 WeakPolarHBondContact O-CG 3.46Å; Q921-Q925 PolarHBondContact O-N 2.81Å |
| 922 | L | 97.3 | Very high | 96.1 | Very high | 117 Ų | 117 | 120.4 Ų | 120.4 | 61% | 0.613 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.7 | -40.3 | 175.7 | -172.9 | 66.2 | 0 | 0 | 0 | 112 | Q918 L919 Q924 Q925 H926 | Q918-L922 PolarHBondContact O-N 3.49Å; L919-L922 PolarHBondContact O-N 3.23Å; L922-Q924 VanDerWaalsContact C-N 3.35Å; L922-Q924 PolarHBondContact O-N 2.96Å; L922-Q925 PolarHBondContact O-N 3.36Å; L922-H926 PolarHBondContact O-N 3.24Å |
| 923 | Q | 96.3 | Very high | 95.9 | Very high | 143 Ų | 143 | 119.1 Ų | 119.1 | 67% | 0.668 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.8 | -39.1 | 175.9 | -169 | 179 | 26.6 | 0 | 0 | 112.4 | L919 Q921 H927 | L919-Q923 WeakPolarHBondContact O-CB 3.38Å; L919-Q923 PolarHBondContact O-N 3.48Å; Q921-Q923 VanDerWaalsContact C-N 3.33Å; Q921-Q923 PolarHBondContact O-N 3.02Å; Q923-H927 PolarHBondContact O-N 3.45Å |
| 924 | Q | 96 | Very high | 95.6 | Very high | 126 Ų | 126 | 120.4 Ų | 120.4 | 59% | 0.589 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67.1 | -42.1 | 174.2 | -78.1 | 175.4 | 84.1 | 0 | 0 | 112.2 | Q920 Q921 L922 H926 H927 L928 | Q920-Q924 PolarHBondContact O-N 3.36Å; Q920-Q924 PolarHBondContact O-NE2 3.29Å; Q921-Q924 PolarHBondContact O-N 2.96Å; L922-Q924 VanDerWaalsContact C-N 3.35Å; L922-Q924 PolarHBondContact O-N 2.96Å; Q924-H926 VanDerWaalsContact C-N 3.34Å; Q924-H926 PolarHBondContact O-N 2.71Å; Q924-H927 PolarHBondContact O-N 2.7Å; Q924-L928 PolarHBondContact O-N 3.19Å |
| 925 | Q | 95.6 | Very high | 95.3 | Very high | 120 Ų | 120 | 119.5 Ų | 119.5 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -59 | -45.4 | 174.6 | -70.9 | -69.2 | -70 | 0 | 0 | 111.5 | Q921 L922 H927 L928 Q929 | Q921-Q925 WeakPolarHBondContact O-CG 3.46Å; Q921-Q925 PolarHBondContact O-N 2.81Å; L922-Q925 PolarHBondContact O-N 3.36Å; Q925-H927 PolarHBondContact O-N 2.9Å; Q925-L928 PolarHBondContact O-N 3.37Å; Q925-Q929 WeakPolarHBondContact O-CB 3.21Å; Q925-Q929 PolarHBondContact O-N 3.19Å |
| 926 | H | 95.1 | Very high | 94.8 | Very high | 112 Ų | 112 | 115.9 Ų | 115.9 | 52% | 0.519 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -63.2 | -38.8 | 176.4 | -173.4 | -101.4 | 0 | 0 | 0 | 112.7 | L922 Q924 Q929 L930 | L922-H926 PolarHBondContact O-N 3.24Å; Q924-H926 VanDerWaalsContact C-N 3.34Å; Q924-H926 PolarHBondContact O-N 2.71Å; H926-Q929 PolarHBondContact O-N 2.86Å; H926-L930 WeakPolarHBondContact O-CG 3.44Å; H926-L930 PolarHBondContact O-N 3.21Å |
| 927 | H | 95.4 | Very high | 94 | Very high | 108 Ų | 108 | 115.1 Ų | 115.1 | 50% | 0.5 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.6 | -40.4 | 174.2 | -170.6 | 82.2 | 0 | 0 | 0 | 112.3 | Q923 Q924 Q925 L930 Q931 | Q923-H927 PolarHBondContact O-N 3.45Å; Q924-H927 PolarHBondContact O-N 2.7Å; Q925-H927 PolarHBondContact O-N 2.9Å; H927-L930 PolarHBondContact O-N 3.35Å; H927-Q931 PolarHBondContact CD2-NE2 2.98Å; H927-Q931 PolarHBondContact NE2-NE2 3.4Å; H927-Q931 PolarHBondContact O-N 3.45Å |
| 928 | L | 96.7 | Very high | 93.1 | Very high | 109 Ų | 109 | 115.2 Ų | 115.2 | 57% | 0.571 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -64.4 | -41 | 176 | -153.8 | 83.2 | 0 | 0 | 0 | 111.5 | Q924 Q925 Q931 F932 | Q924-L928 PolarHBondContact O-N 3.19Å; Q925-L928 PolarHBondContact O-N 3.37Å; L928-Q931 PolarHBondContact O-N 3.05Å; L928-F932 PolarHBondContact O-N 3.47Å |
| 929 | Q | 95.5 | Very high | 92.1 | Very high | 132 Ų | 132 | 112.8 Ų | 112.8 | 62% | 0.617 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.6 | -38.7 | 175.3 | -170.5 | 173.8 | 6.7 | 0 | 0 | 111.8 | Q925 H926 F932 Q933 | Q925-Q929 WeakPolarHBondContact O-CB 3.21Å; Q925-Q929 PolarHBondContact O-N 3.19Å; H926-Q929 PolarHBondContact O-N 2.86Å; Q929-F932 PolarHBondContact O-N 2.99Å; Q929-Q933 WeakPolarHBondContact O-CB 3.34Å; Q929-Q933 PolarHBondContact O-N 3.38Å |
| 930 | L | 95.3 | Very high | 90.5 | Very high | 75 Ų | 75 | 115.3 Ų | 115.3 | 39% | 0.393 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.1 | -40.3 | 172.1 | -77.8 | 168 | 0 | 0 | 0 | 112.5 | H926 H927 Q933 Q934 | H926-L930 WeakPolarHBondContact O-CG 3.44Å; H926-L930 PolarHBondContact O-N 3.21Å; H927-L930 PolarHBondContact O-N 3.35Å; L930-Q933 PolarHBondContact O-N 3.22Å; L930-Q934 VanDerWaalsContact O-CG 3.29Å; L930-Q934 WeakPolarHBondContact O-CG 3.48Å; L930-Q934 PolarHBondContact O-N 3.01Å |
| 931 | Q | 94.3 | Very high | 88.2 | Confident | 101 Ų | 101 | 112.8 Ų | 112.8 | 47% | 0.472 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -64.3 | -42.5 | 174.1 | -71.1 | -172.7 | 4.3 | 0 | 0 | 111.7 | H927 L928 Q933 Q934 L935 | H927-Q931 PolarHBondContact CD2-NE2 2.98Å; H927-Q931 PolarHBondContact NE2-NE2 3.4Å; H927-Q931 PolarHBondContact O-N 3.45Å; L928-Q931 PolarHBondContact O-N 3.05Å; Q931-Q933 PolarHBondContact O-N 2.98Å; Q931-Q934 PolarHBondContact O-N 2.9Å; Q931-L935 WeakPolarHBondContact O-CB 3.47Å; Q931-L935 PolarHBondContact O-N 3.37Å |
| 932 | F | 94.1 | Very high | 85.7 | Confident | 148 Ų | 148 | 115.1 Ų | 115.1 | 65% | 0.649 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.6 | -39.3 | 175 | -167.8 | -96.4 | 0 | 0 | 0 | 112.1 | L928 Q929 Q934 L935 A936 | L928-F932 PolarHBondContact O-N 3.47Å; Q929-F932 PolarHBondContact O-N 2.99Å; F932-Q934 VanDerWaalsContact C-N 3.33Å; F932-Q934 PolarHBondContact O-N 3.45Å; F932-L935 PolarHBondContact O-N 3.49Å; F932-A936 WeakPolarHBondContact O-CB 3.49Å; F932-A936 PolarHBondContact O-N 3.47Å |
| 933 | Q | 92.4 | Very high | 83.2 | Confident | 109 Ų | 109 | 114.6 Ų | 114.6 | 51% | 0.509 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.9 | -37.2 | 174.8 | -170.7 | 71.2 | 84.4 | 0 | 0 | 112.1 | Q929 L930 Q931 Q937 | Q929-Q933 WeakPolarHBondContact O-CB 3.34Å; Q929-Q933 PolarHBondContact O-N 3.38Å; L930-Q933 PolarHBondContact O-N 3.22Å; Q931-Q933 PolarHBondContact O-N 2.98Å; Q933-Q937 WeakPolarHBondContact O-CG 3.49Å; Q933-Q937 PolarHBondContact O-N 2.7Å; Q933-Q937 PolarHBondContact O-NE2 3.01Å |
| 934 | Q | 88.9 | Confident | 80.7 | Confident | 122 Ų | 122 | 113.9 Ų | 113.9 | 57% | 0.57 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.1 | -43.8 | 174.2 | -72 | 168.5 | 33.8 | 0 | 0 | 111.7 | L930 Q931 F932 A936 Q937 L938 | L930-Q934 VanDerWaalsContact O-CG 3.29Å; L930-Q934 WeakPolarHBondContact O-CG 3.48Å; L930-Q934 PolarHBondContact O-N 3.01Å; Q931-Q934 PolarHBondContact O-N 2.9Å; F932-Q934 VanDerWaalsContact C-N 3.33Å; F932-Q934 PolarHBondContact O-N 3.45Å; Q934-A936 VanDerWaalsContact C-N 3.33Å; Q934-A936 PolarHBondContact O-N 3.01Å; Q934-Q937 PolarHBondContact O-N 2.98Å; Q934-L938 PolarHBondContact O-N 3.5Å |
| 935 | L | 91.5 | Very high | 78.3 | Confident | 108 Ų | 108 | 112.5 Ų | 112.5 | 57% | 0.565 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.1 | -39.1 | 176.6 | -174.8 | 62.2 | 0 | 0 | 0 | 111.9 | Q931 F932 L938 A939 | Q931-L935 WeakPolarHBondContact O-CB 3.47Å; Q931-L935 PolarHBondContact O-N 3.37Å; F932-L935 PolarHBondContact O-N 3.49Å; L935-L938 PolarHBondContact O-N 3.17Å; L935-A939 WeakPolarHBondContact O-CB 3.39Å; L935-A939 PolarHBondContact O-N 3.42Å |
| 936 | A | 86.6 | Confident | 76.1 | Confident | 37 Ų | 37 | 111 Ų | 111 | 31% | 0.306 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -65.1 | -38.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F932 Q934 A939 Q940 | F932-A936 WeakPolarHBondContact O-CB 3.49Å; F932-A936 PolarHBondContact O-N 3.47Å; Q934-A936 VanDerWaalsContact C-N 3.33Å; Q934-A936 PolarHBondContact O-N 3.01Å; A936-A939 PolarHBondContact O-N 3.37Å; A936-Q940 WeakPolarHBondContact O-CG 3.31Å; A936-Q940 PolarHBondContact O-N 2.72Å |
| 937 | Q | 79.3 | Confident | 73.7 | Confident | 127 Ų | 127 | 109.3 Ų | 109.3 | 59% | 0.593 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -64.8 | -41.2 | 172.3 | -76.8 | 165.9 | 94.9 | 0 | 0 | 111.6 | Q933 Q934 A939 Q940 | Q933-Q937 WeakPolarHBondContact O-CG 3.49Å; Q933-Q937 PolarHBondContact O-N 2.7Å; Q933-Q937 PolarHBondContact O-NE2 3.01Å; Q934-Q937 PolarHBondContact O-N 2.98Å; Q937-A939 VanDerWaalsContact C-N 3.33Å; Q937-A939 PolarHBondContact O-N 2.96Å; Q937-Q940 PolarHBondContact O-N 3.12Å |
| 938 | L | 77.6 | Confident | 71.4 | Confident | 140 Ų | 140 | 107.7 Ų | 107.7 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -63.9 | -39.1 | 176.3 | -157.9 | 77.1 | 0 | 0 | 0 | 111.8 | Q934 L935 Q940 G941 | Q934-L938 PolarHBondContact O-N 3.5Å; L935-L938 PolarHBondContact O-N 3.17Å; L938-Q940 VanDerWaalsContact C-N 3.3Å; L938-Q940 PolarHBondContact O-N 3.34Å; L938-G941 PolarHBondContact O-N 2.98Å |
| 939 | A | 76.8 | Confident | 68.6 | Low | 82 Ų | 82 | 108.9 Ų | 108.9 | 68% | 0.678 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -71 | -19.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L935 A936 Q937 G941 | L935-A939 WeakPolarHBondContact O-CB 3.39Å; L935-A939 PolarHBondContact O-N 3.42Å; A936-A939 PolarHBondContact O-N 3.37Å; Q937-A939 VanDerWaalsContact C-N 3.33Å; Q937-A939 PolarHBondContact O-N 2.96Å; A939-G941 VanDerWaalsContact C-N 3.3Å |
| 940 | Q | 64 | Low | 66.4 | Low | 164 Ų | 164 | 112 Ų | 112 | 77% | 0.766 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 4.8 | 173 | -68.6 | -66 | -32.4 | 0 | 0 | 113 | A936 Q937 L938 Q942 | A936-Q940 WeakPolarHBondContact O-CG 3.31Å; A936-Q940 PolarHBondContact O-N 2.72Å; Q937-Q940 PolarHBondContact O-N 3.12Å; L938-Q940 VanDerWaalsContact C-N 3.3Å; L938-Q940 PolarHBondContact O-N 3.34Å; Q940-Q942 PolarHBondContact O-N 3.34Å |
| 941 | G | 47.6 | Very low | 64.1 | Low | 62 Ų | 62 | 113 Ų | 113 | 64% | 0.639 | 69% | 0.692 | S | S | * | * | | | trans | -74.2 | 59.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | L938 A939 | L938-G941 PolarHBondContact O-N 2.98Å; A939-G941 VanDerWaalsContact C-N 3.3Å |
| 942 | Q | 42.8 | Very low | 62 | Low | 175 Ų | 175 | 111.9 Ų | 111.9 | 82% | 0.818 | 70% | 0.696 | S | S | * | * | | | trans | -72.3 | 148.5 | 159.3 | -88 | -145.8 | -40.8 | 0 | 0 | 110.8 | Q940 | Q940-Q942 PolarHBondContact O-N 3.34Š|
| 943 | P | 45.6 | Very low | 60 | Low | 106 Ų | 106 | 110.3 Ų | 110.3 | 69% | 0.688 | 70% | 0.699 | S | S | * | * | | | trans | -67 | 139.3 | 171.7 | 29.6 | -34.2 | 0 | 0 | 0 | 110.1 | A945 | P943-A945 PolarHBondContact O-N 2.97Å; P943-A945 VanDerWaalsContact O-N 3.13Å |
| 944 | P | 44.2 | Very low | 58 | Low | 129 Ų | 129 | 108 Ų | 108 | 84% | 0.838 | 69% | 0.694 | S | S | * | * | | | trans | -66 | 115.2 | 172.1 | 27.1 | -32.8 | 0 | 0 | 0 | 109.6 | | |
| 945 | A | 45 | Very low | 56.3 | Low | 97 Ų | 97 | 108.3 Ų | 108.3 | 80% | 0.802 | 70% | 0.696 | S | S | * | * | | | trans | -58.9 | 142.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | P943 | P943-A945 PolarHBondContact O-N 2.97Å; P943-A945 VanDerWaalsContact O-N 3.13Å |
| 946 | G | 50 | Low | 54.6 | Low | 88 Ų | 88 | 107.7 Ų | 107.7 | 91% | 0.907 | 70% | 0.697 | S | S | * | * | | | trans | -61.6 | 134.3 | -165.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 947 | G | 44.8 | Very low | 53.1 | Low | 77 Ų | 77 | 111.8 Ų | 111.8 | 79% | 0.794 | 71% | 0.71 | S | S | * | * | | | trans | -149.6 | 44.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 948 | G | 46.1 | Very low | 52.3 | Low | 73 Ų | 73 | 113 Ų | 113 | 75% | 0.753 | 71% | 0.709 | S | S | * | * | | | trans | 47.7 | 99.7 | 160.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 949 | T | 38 | Very low | 52 | Low | 134 Ų | 134 | 110 Ų | 110 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | | | trans | -166.9 | 127 | 139.3 | 8.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 950 | M | 48.6 | Very low | 52.3 | Low | 199 Ų | 199 | 107.9 Ų | 107.9 | 98% | 0.98 | 68% | 0.68 | S | S | * | * | | | trans | -106.7 | 98.9 | -177.1 | -66.6 | -173.9 | 72.1 | 0 | 0 | 111.6 | | |
| 951 | S | 47.6 | Very low | 53.2 | Low | 94 Ų | 94 | 105.8 Ų | 105.8 | 66% | 0.657 | 67% | 0.668 | S | S | * | * | | | trans | -160.7 | -29.5 | 172.2 | 59.3 | 0 | 0 | 0 | 0 | 115.5 | T953 | S951-T953 PolarHBondContact O-N 3.44Š|
| 952 | S | 50.3 | Low | 55 | Low | 79 Ų | 79 | 107.7 Ų | 107.7 | 55% | 0.552 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -18.4 | -166.1 | 55.9 | 0 | 0 | 0 | 0 | 116.4 | S954 Q955 | S952-S954 VanDerWaalsContact C-N 3.3Å; S952-S954 PolarHBondContact O-N 2.7Å; S952-Q955 PolarHBondContact O-N 3.23Å |
| 953 | T | 51.3 | Low | 57.1 | Low | 115 Ų | 115 | 104.9 Ų | 104.9 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -65.6 | -26.7 | -174.1 | 51.7 | 0 | 0 | 0 | 0 | 114.3 | S951 T956 | S951-T953 PolarHBondContact O-N 3.44Å; T953-T956 PolarHBondContact O-OG1 3Å |
| 954 | S | 50.9 | Low | 59.2 | Low | 59 Ų | 59 | 104.5 Ų | 104.5 | 41% | 0.413 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -76.4 | -26.1 | 179.3 | 79.6 | 0 | 0 | 0 | 0 | 113 | S952 R958 | S952-S954 VanDerWaalsContact C-N 3.3Å; S952-S954 PolarHBondContact O-N 2.7Å; S954-R958 WeakPolarHBondContact O-CG 3.28Å; S954-R958 PolarHBondContact O-N 3.16Å; S954-R958 PolarHBondContact O-NH1 2.83Å; S954-R958 PolarHBondContact OG-NH1 2.97Å |
| 955 | Q | 53.6 | Low | 61.4 | Low | 129 Ų | 129 | 101.6 Ų | 101.6 | 60% | 0.603 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -80.5 | -48.1 | -175.5 | -169.2 | 163.7 | -8.5 | 0 | 0 | 110.7 | S952 Q957 R958 D959 | S952-Q955 PolarHBondContact O-N 3.23Å; Q955-Q957 PolarHBondContact O-N 3.11Å; Q955-R958 WeakPolarHBondContact O-CB 3.32Å; Q955-R958 PolarHBondContact O-N 3.27Å; Q955-D959 PolarHBondContact O-N 3.1Å |
| 956 | T | 56.1 | Low | 63.7 | Low | 96 Ų | 96 | 101.1 Ų | 101.1 | 59% | 0.589 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -59.1 | -31.3 | 174.2 | 48.2 | 0 | 0 | 0 | 0 | 113.2 | T953 G960 | T953-T956 PolarHBondContact O-OG1 3Å; T956-G960 PolarHBondContact O-N 3.18Å |
| 957 | Q | 55.8 | Low | 65.7 | Low | 122 Ų | 122 | 100.3 Ų | 100.3 | 57% | 0.57 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -71.3 | -34.9 | 173.8 | -155.8 | -159.1 | 66.3 | 0 | 0 | 112.9 | Q955 K961 | Q955-Q957 PolarHBondContact O-N 3.11Å; Q957-K961 WeakPolarHBondContact O-CG 3.38Å; Q957-K961 PolarHBondContact O-N 3.3Å; Q957-K961 VanDerWaalsContact O-N 3.14Å; Q957-K961 VanDerWaalsContact OE1-NZ 3.11Å |
| 958 | R | 62.2 | Low | 68 | Low | 154 Ų | 154 | 104.7 Ų | 104.7 | 58% | 0.581 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.7 | -44.2 | 172.9 | -69.9 | -179.3 | -167.6 | 93.5 | -12.6 | 110.8 | S954 Q955 G960 K961 L962 | S954-R958 WeakPolarHBondContact O-CG 3.28Å; S954-R958 PolarHBondContact O-N 3.16Å; S954-R958 PolarHBondContact O-NH1 2.83Å; S954-R958 PolarHBondContact OG-NH1 2.97Å; Q955-R958 WeakPolarHBondContact O-CB 3.32Å; Q955-R958 PolarHBondContact O-N 3.27Å; R958-G960 VanDerWaalsContact C-N 3.35Å; R958-G960 PolarHBondContact O-N 3.07Å; R958-K961 PolarHBondContact O-N 2.96Å; R958-L962 WeakPolarHBondContact O-CB 3.49Å; R958-L962 PolarHBondContact O-N 3.29Å |
| 959 | D | 70.7 | Confident | 70.2 | Confident | 77 Ų | 77 | 107.7 Ų | 107.7 | 41% | 0.412 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.8 | -38.6 | 178.7 | -63.8 | -28.9 | 0 | 0 | 0 | 111.6 | Q955 L962 L963 | Q955-D959 PolarHBondContact O-N 3.1Å; D959-L962 PolarHBondContact O-N 2.93Å; D959-L963 WeakPolarHBondContact O-CB 3.39Å; D959-L963 VanDerWaalsContact O-CG 3.31Å; D959-L963 WeakPolarHBondContact O-CG 3.48Å; D959-L963 PolarHBondContact O-N 3.3Å |
| 960 | G | 83.5 | Confident | 72.8 | Confident | 37 Ų | 37 | 108.3 Ų | 108.3 | 38% | 0.381 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -60.8 | -46.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T956 R958 L962 L963 E964 | T956-G960 PolarHBondContact O-N 3.18Å; R958-G960 VanDerWaalsContact C-N 3.35Å; R958-G960 PolarHBondContact O-N 3.07Å; G960-L962 VanDerWaalsContact C-N 3.33Å; G960-L962 PolarHBondContact O-N 2.91Å; G960-L963 PolarHBondContact O-N 3.21Å; G960-E964 PolarHBondContact O-N 3.01Å |
| 961 | K | 82.3 | Confident | 74.7 | Confident | 120 Ų | 120 | 101.8 Ų | 101.8 | 52% | 0.522 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.9 | -38.5 | 174.2 | -74.7 | 170.2 | 173.8 | 168.1 | 0 | 112 | Q957 R958 E964 V965 | Q957-K961 WeakPolarHBondContact O-CG 3.38Å; Q957-K961 PolarHBondContact O-N 3.3Å; Q957-K961 VanDerWaalsContact O-N 3.14Å; Q957-K961 VanDerWaalsContact OE1-NZ 3.11Å; R958-K961 PolarHBondContact O-N 2.96Å; K961-E964 PolarHBondContact O-N 2.94Å; K961-V965 WeakPolarHBondContact O-CG2 3.49Å; K961-V965 PolarHBondContact O-N 3.08Å |
| 962 | L | 86.3 | Confident | 76.8 | Confident | 101 Ų | 101 | 101.5 Ų | 101.5 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 176.5 | -179.7 | 59.5 | 0 | 0 | 0 | 111.6 | R958 D959 G960 V965 I966 | R958-L962 WeakPolarHBondContact O-CB 3.49Å; R958-L962 PolarHBondContact O-N 3.29Å; D959-L962 PolarHBondContact O-N 2.93Å; G960-L962 VanDerWaalsContact C-N 3.33Å; G960-L962 PolarHBondContact O-N 2.91Å; L962-V965 PolarHBondContact O-N 2.88Å; L962-I966 HydrophobicContact CD1-CD1 4.25Å; L962-I966 HydrophobicContact CD1-CG1 4.49Å; L962-I966 HydrophobicContact CG-CD1 3.98Å; L962-I966 WeakPolarHBondContact O-CB 3.46Å; L962-I966 VanDerWaalsContact O-CG1 3.23Å; L962-I966 WeakPolarHBondContact O-CG1 3.23Å; L962-I966 PolarHBondContact O-N 3.35Å |
| 963 | L | 86 | Confident | 78.6 | Confident | 116 Ų | 116 | 101.6 Ų | 101.6 | 61% | 0.607 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.1 | -40.8 | 173.9 | -74.3 | 166.7 | 0 | 0 | 0 | 112.1 | D959 G960 I966 E967 | D959-L963 WeakPolarHBondContact O-CB 3.39Å; D959-L963 VanDerWaalsContact O-CG 3.31Å; D959-L963 WeakPolarHBondContact O-CG 3.48Å; D959-L963 PolarHBondContact O-N 3.3Å; G960-L963 PolarHBondContact O-N 3.21Å; L963-I966 PolarHBondContact O-N 2.87Å; L963-E967 PolarHBondContact O-N 3.48Å |
| 964 | E | 89.6 | Confident | 80.5 | Confident | 99 Ų | 99 | 101.8 Ų | 101.8 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 174.8 | -158.4 | -159.1 | 148.5 | 0 | 0 | 111.7 | G960 K961 I966 E967 R968 | G960-E964 PolarHBondContact O-N 3.01Å; K961-E964 PolarHBondContact O-N 2.94Å; E964-I966 VanDerWaalsContact C-N 3.31Å; E964-I966 PolarHBondContact O-N 3.34Å; E964-E967 PolarHBondContact O-N 3.47Å; E964-R968 WeakPolarHBondContact O-CB 3.49Å; E964-R968 WeakPolarHBondContact O-CG 3.33Å; E964-R968 PolarHBondContact O-N 2.87Å; E964-R968 IonicContact OE1-CZ 3.07Å; E964-R968 IonicContact OE1-NE 2.74Å; E964-R968 PolarHBondContact OE1-NE 2.99Å; E964-R968 IonicContact OE1-NH2 2.66Å; E964-R968 PolarHBondContact OE1-NH2 2.98Å |
| 965 | V | 90.6 | Very high | 82.3 | Confident | 67 Ų | 67 | 104.2 Ų | 104.2 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -36.4 | 174.9 | 169.4 | 0 | 0 | 0 | 0 | 111.7 | K961 L962 K969 | K961-V965 WeakPolarHBondContact O-CG2 3.49Å; K961-V965 PolarHBondContact O-N 3.08Å; L962-V965 PolarHBondContact O-N 2.88Å; V965-K969 HydrophobicContact CG1-CD 4.16Å; V965-K969 VanDerWaalsContact O-CB 3.32Å; V965-K969 WeakPolarHBondContact O-CB 3.33Å; V965-K969 VanDerWaalsContact O-CG 3.3Å; V965-K969 WeakPolarHBondContact O-CG 3.49Å; V965-K969 PolarHBondContact O-N 3.33Å |
| 966 | I | 92.9 | Very high | 83.9 | Confident | 87 Ų | 87 | 101.7 Ų | 101.7 | 45% | 0.446 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -49.2 | 175.4 | -73.8 | 163.9 | 0 | 0 | 0 | 110.8 | L962 L963 E964 K969 R970 | L962-I966 HydrophobicContact CD1-CD1 4.25Å; L962-I966 HydrophobicContact CD1-CG1 4.49Å; L962-I966 HydrophobicContact CG-CD1 3.98Å; L962-I966 WeakPolarHBondContact O-CB 3.46Å; L962-I966 VanDerWaalsContact O-CG1 3.23Å; L962-I966 WeakPolarHBondContact O-CG1 3.23Å; L962-I966 PolarHBondContact O-N 3.35Å; L963-I966 PolarHBondContact O-N 2.87Å; E964-I966 VanDerWaalsContact C-N 3.31Å; E964-I966 PolarHBondContact O-N 3.34Å; I966-K969 PolarHBondContact O-N 2.94Å; I966-R970 WeakPolarHBondContact O-CB 3.3Å; I966-R970 PolarHBondContact O-N 3.08Å |
| 967 | E | 93 | Very high | 85.2 | Confident | 71 Ų | 71 | 105.2 Ų | 105.2 | 33% | 0.332 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -73.5 | -34.2 | -179.1 | -164.3 | 60.6 | -142.6 | 0 | 0 | 112 | L963 E964 K969 R970 C971 K974 | L963-E967 PolarHBondContact O-N 3.48Å; E964-E967 PolarHBondContact O-N 3.47Å; E967-K969 PolarHBondContact O-N 3.09Å; E967-R970 WeakPolarHBondContact O-CB 3.42Å; E967-R970 PolarHBondContact O-N 3.37Å; E967-R970 VanDerWaalsContact O-N 3.13Å; E967-R970 WeakPolarHBondContact OE1-CD 3.42Å; E967-R970 IonicContact OE1-NH1 2.65Å; E967-R970 WeakPolarHBondContact OE2-CD 3.47Å; E967-R970 IonicContact OE2-CZ 3.72Å; E967-R970 IonicContact OE2-NE 2.68Å; E967-R970 IonicContact OE2-NH1 2.65Å; E967-R970 PolarHBondContact OE2-NH1 3.1Å; E967-C971 PolarHBondContact O-N 3.01Å; E967-C971 PolarHBondContact O-SG 2.98Å; E967-K974 IonicContact OE1-NZ 2.72Å |
| 968 | R | 92.3 | Very high | 86 | Confident | 169 Ų | 169 | 102.3 Ų | 102.3 | 64% | 0.638 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -56.5 | -48.2 | 167.4 | -76.2 | -175.5 | -173.7 | -146.8 | 8.6 | 111.3 | E964 R970 C971 L972 | E964-R968 WeakPolarHBondContact O-CB 3.49Å; E964-R968 WeakPolarHBondContact O-CG 3.33Å; E964-R968 PolarHBondContact O-N 2.87Å; E964-R968 IonicContact OE1-CZ 3.07Å; E964-R968 IonicContact OE1-NE 2.74Å; E964-R968 PolarHBondContact OE1-NE 2.99Å; E964-R968 IonicContact OE1-NH2 2.66Å; E964-R968 PolarHBondContact OE1-NH2 2.98Å; R968-R970 VanDerWaalsContact C-N 3.32Å; R968-R970 PolarHBondContact O-N 3.23Å; R968-C971 PolarHBondContact O-N 3Å; R968-L972 WeakPolarHBondContact O-CB 3.48Å; R968-L972 PolarHBondContact O-N 3.27Å |
| 969 | K | 93.3 | Very high | 86.2 | Confident | 136 Ų | 136 | 102 Ų | 102 | 59% | 0.591 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.4 | -35.5 | 174.9 | -77.8 | 178.4 | 177.9 | 179.5 | 0 | 112.2 | V965 I966 E967 C973 | V965-K969 HydrophobicContact CG1-CD 4.16Å; V965-K969 VanDerWaalsContact O-CB 3.32Å; V965-K969 WeakPolarHBondContact O-CB 3.33Å; V965-K969 VanDerWaalsContact O-CG 3.3Å; V965-K969 WeakPolarHBondContact O-CG 3.49Å; V965-K969 PolarHBondContact O-N 3.33Å; I966-K969 PolarHBondContact O-N 2.94Å; E967-K969 PolarHBondContact O-N 3.09Å; K969-C973 VanDerWaalsContact O-CB 3.3Å; K969-C973 WeakPolarHBondContact O-CB 3.48Å; K969-C973 PolarHBondContact O-N 3Å; K969-C973 PolarHBondContact O-SG 3.14Å |
| 970 | R | 92.6 | Very high | 85.8 | Confident | 148 Ų | 148 | 108 Ų | 108 | 56% | 0.558 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.2 | -39.9 | 177 | -160.5 | -175 | -175.4 | -168.1 | 1.1 | 112 | I966 E967 R968 C973 K974 | I966-R970 WeakPolarHBondContact O-CB 3.3Å; I966-R970 PolarHBondContact O-N 3.08Å; E967-R970 WeakPolarHBondContact O-CB 3.42Å; E967-R970 PolarHBondContact O-N 3.37Å; E967-R970 VanDerWaalsContact O-N 3.13Å; E967-R970 WeakPolarHBondContact OE1-CD 3.42Å; E967-R970 IonicContact OE1-NH1 2.65Å; E967-R970 WeakPolarHBondContact OE2-CD 3.47Å; E967-R970 IonicContact OE2-CZ 3.72Å; E967-R970 IonicContact OE2-NE 2.68Å; E967-R970 IonicContact OE2-NH1 2.65Å; E967-R970 PolarHBondContact OE2-NH1 3.1Å; R968-R970 VanDerWaalsContact C-N 3.32Å; R968-R970 PolarHBondContact O-N 3.23Å; R970-C973 PolarHBondContact O-N 3.1Å; R970-K974 WeakPolarHBondContact O-CG 3.46Å; R970-K974 PolarHBondContact O-N 3.31Å |
| 971 | C | 88.9 | Confident | 84 | Confident | 62 Ų | 62 | 115.2 Ų | 115.2 | 42% | 0.419 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.1 | -49.7 | 171.7 | -73.5 | 0 | 0 | 0 | 0 | 111.7 | E967 R968 C973 K974 E975 | E967-C971 PolarHBondContact O-N 3.01Å; E967-C971 PolarHBondContact O-SG 2.98Å; R968-C971 PolarHBondContact O-N 3Å; C971-C973 VanDerWaalsContact C-N 3.26Å; C971-C973 PolarHBondContact O-N 3.46Å; C971-K974 WeakPolarHBondContact O-CA 3.44Å; C971-K974 WeakPolarHBondContact O-CB 3.34Å; C971-K974 PolarHBondContact O-N 3.38Å; C971-E975 WeakPolarHBondContact O-CB 3.47Å; C971-E975 PolarHBondContact O-N 3.19Å |
| 972 | L | 91.9 | Very high | 82.5 | Confident | 87 Ų | 87 | 114 Ų | 114 | 46% | 0.455 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -58.3 | -37.8 | 175.3 | -176.4 | 63.7 | 0 | 0 | 0 | 112.1 | R968 E975 I976 | R968-L972 WeakPolarHBondContact O-CB 3.48Å; R968-L972 PolarHBondContact O-N 3.27Å; L972-E975 PolarHBondContact O-N 3.32Å; L972-I976 HydrophobicContact CD1-CD1 4.02Å; L972-I976 HydrophobicContact CD1-CG1 4.26Å; L972-I976 HydrophobicContact CD2-CD1 4.47Å; L972-I976 HydrophobicContact CG-CD1 3.82Å; L972-I976 HydrophobicContact CG-CG1 4.43Å; L972-I976 WeakPolarHBondContact O-CB 3.25Å; L972-I976 VanDerWaalsContact O-CG1 3.25Å; L972-I976 WeakPolarHBondContact O-CG1 3.48Å; L972-I976 PolarHBondContact O-N 3.41Å |
| 973 | C | 87.8 | Confident | 80.6 | Confident | 81 Ų | 81 | 116.2 Ų | 116.2 | 55% | 0.547 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69.7 | -33.8 | 173.8 | -75.9 | 0 | 0 | 0 | 0 | 113.5 | K969 R970 C971 K977 | K969-C973 VanDerWaalsContact O-CB 3.3Å; K969-C973 WeakPolarHBondContact O-CB 3.48Å; K969-C973 PolarHBondContact O-N 3Å; K969-C973 PolarHBondContact O-SG 3.14Å; R970-C973 PolarHBondContact O-N 3.1Å; C971-C973 VanDerWaalsContact C-N 3.26Å; C971-C973 PolarHBondContact O-N 3.46Å; C973-K977 WeakPolarHBondContact O-CB 3.4Å; C973-K977 PolarHBondContact O-N 3.48Å; C973-K977 VanDerWaalsContact O-N 3.09Å |
| 974 | K | 89.9 | Confident | 78.9 | Confident | 119 Ų | 119 | 119.8 Ų | 119.8 | 52% | 0.517 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.6 | -45.1 | 170.9 | -72.1 | 163.8 | -180 | 166.8 | 0 | 110.3 | E967 R970 C971 K977 A978 | E967-K974 IonicContact OE1-NZ 2.72Å; R970-K974 WeakPolarHBondContact O-CG 3.46Å; R970-K974 PolarHBondContact O-N 3.31Å; C971-K974 WeakPolarHBondContact O-CA 3.44Å; C971-K974 WeakPolarHBondContact O-CB 3.34Å; C971-K974 PolarHBondContact O-N 3.38Å; K974-K977 PolarHBondContact O-N 3.23Å; K974-A978 PolarHBondContact O-N 3.48Å |
| 975 | E | 88.8 | Confident | 76.8 | Confident | 111 Ų | 111 | 119.3 Ų | 119.3 | 52% | 0.519 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.4 | -54.6 | 179 | -178.7 | 175.7 | -160.3 | 0 | 0 | 112 | C971 L972 K977 A978 H979 | C971-E975 WeakPolarHBondContact O-CB 3.47Å; C971-E975 PolarHBondContact O-N 3.19Å; L972-E975 PolarHBondContact O-N 3.32Å; E975-K977 PolarHBondContact O-N 3.16Å; E975-A978 WeakPolarHBondContact O-CA 3.41Å; E975-A978 WeakPolarHBondContact O-CB 3.5Å; E975-A978 PolarHBondContact O-N 3.26Å; E975-H979 PolarHBondContact O-CD2 2.83Å; E975-H979 VanDerWaalsContact O-CD2 3.31Å; E975-H979 PolarHBondContact O-N 3.45Å |
| 976 | I | 87.6 | Confident | 74.5 | Confident | 76 Ų | 76 | 124.2 Ų | 124.2 | 39% | 0.39 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -57 | -34.6 | 174.5 | -68.2 | 169.5 | 0 | 0 | 0 | 111 | L972 R980 | L972-I976 HydrophobicContact CD1-CD1 4.02Å; L972-I976 HydrophobicContact CD1-CG1 4.26Å; L972-I976 HydrophobicContact CD2-CD1 4.47Å; L972-I976 HydrophobicContact CG-CD1 3.82Å; L972-I976 HydrophobicContact CG-CG1 4.43Å; L972-I976 WeakPolarHBondContact O-CB 3.25Å; L972-I976 VanDerWaalsContact O-CG1 3.25Å; L972-I976 WeakPolarHBondContact O-CG1 3.48Å; L972-I976 PolarHBondContact O-N 3.41Å; I976-R980 HydrophobicContact CG2-CG 4.21Å; I976-R980 WeakPolarHBondContact O-CB 3.42Å; I976-R980 VanDerWaalsContact O-CG 3.29Å; I976-R980 WeakPolarHBondContact O-CG 3.49Å; I976-R980 PolarHBondContact O-N 3.23Å |
| 977 | K | 82.6 | Confident | 72 | Confident | 170 Ų | 170 | 126.4 Ų | 126.4 | 74% | 0.739 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -74.9 | -24.6 | 176.2 | -172.3 | 172.6 | -178.4 | 178.3 | 0 | 113.6 | C973 K974 E975 | C973-K977 WeakPolarHBondContact O-CB 3.4Å; C973-K977 PolarHBondContact O-N 3.48Å; C973-K977 VanDerWaalsContact O-N 3.09Å; K974-K977 PolarHBondContact O-N 3.23Å; E975-K977 PolarHBondContact O-N 3.16Å |
| 978 | A | 73.6 | Confident | 69.5 | Low | 61 Ų | 61 | 132.3 Ų | 132.3 | 50% | 0.504 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -72.9 | -48.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | K974 E975 R980 R981 | K974-A978 PolarHBondContact O-N 3.48Å; E975-A978 WeakPolarHBondContact O-CA 3.41Å; E975-A978 WeakPolarHBondContact O-CB 3.5Å; E975-A978 PolarHBondContact O-N 3.26Å; A978-R980 VanDerWaalsContact C-N 3.31Å; A978-R980 PolarHBondContact O-N 3.31Å; A978-R981 PolarHBondContact O-N 3.07Å |
| 979 | H | 66.6 | Low | 67 | Low | 146 Ų | 146 | 133.4 Ų | 133.4 | 68% | 0.676 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -69 | -22.5 | 177.2 | -74.2 | -77.3 | 0 | 0 | 0 | 114.2 | E975 R981 | E975-H979 PolarHBondContact O-CD2 2.83Å; E975-H979 VanDerWaalsContact O-CD2 3.31Å; E975-H979 PolarHBondContact O-N 3.45Å; H979-R981 VanDerWaalsContact C-N 3.33Å |
| 980 | R | 62.9 | Low | 64.4 | Low | 205 Ų | 205 | 134.6 Ų | 134.6 | 77% | 0.774 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 23.1 | 171.4 | -68.4 | -176.7 | -180 | -113 | 1.8 | 113.7 | I976 A978 | I976-R980 HydrophobicContact CG2-CG 4.21Å; I976-R980 WeakPolarHBondContact O-CB 3.42Å; I976-R980 VanDerWaalsContact O-CG 3.29Å; I976-R980 WeakPolarHBondContact O-CG 3.49Å; I976-R980 PolarHBondContact O-N 3.23Å; A978-R980 VanDerWaalsContact C-N 3.31Å; A978-R980 PolarHBondContact O-N 3.31Å |
| 981 | R | 45.9 | Very low | 62.1 | Low | 187 Ų | 187 | 132.1 Ų | 132.1 | 71% | 0.706 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -61.1 | 133 | 153.6 | -78.3 | -168.9 | 170.8 | -160.4 | -1 | 107.8 | A978 H979 D983 | A978-R981 PolarHBondContact O-N 3.07Å; H979-R981 VanDerWaalsContact C-N 3.33Å; R981-D983 PolarHBondContact O-N 3.06Å |
| 982 | P | 50.8 | Low | 59.6 | Low | 94 Ų | 94 | 137.1 Ų | 137.1 | 61% | 0.61 | 69% | 0.694 | S | S | * | * | | | trans | -75.2 | 112.5 | -172.5 | 28.7 | -34.1 | 0 | 0 | 0 | 110.5 | K984 | P982-K984 HydrophobicContact CB-CD 4.07Å; P982-K984 HydrophobicContact CB-CG 4.12Å; P982-K984 PolarHBondContact O-N 3.03Å |
| 983 | D | 44.5 | Very low | 57.6 | Low | 149 Ų | 149 | 138.6 Ų | 138.6 | 80% | 0.797 | 71% | 0.709 | S | S | * | * | | | trans | -67.9 | 69 | 169.9 | -70.7 | -44.8 | 0 | 0 | 0 | 111.3 | R981 S985 | R981-D983 PolarHBondContact O-N 3.06Å; D983-S985 PolarHBondContact O-N 3.03Å |
| 984 | K | 51 | Low | 55.2 | Low | 191 Ų | 191 | 142.7 Ų | 142.7 | 83% | 0.83 | 72% | 0.723 | S | S | * | * | | | trans | -94.8 | 38.2 | 174.7 | -71 | 176.5 | 179.6 | -177.6 | 0 | 110.8 | P982 | P982-K984 HydrophobicContact CB-CD 4.07Å; P982-K984 HydrophobicContact CB-CG 4.12Å; P982-K984 PolarHBondContact O-N 3.03Å |
| 985 | S | 44.8 | Very low | 52.6 | Low | 88 Ų | 88 | 144.4 Ų | 144.4 | 62% | 0.615 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -146.5 | 119.3 | 173.7 | 53.5 | 0 | 0 | 0 | 0 | 110.4 | D983 | D983-S985 PolarHBondContact O-N 3.03Š|
| 986 | L | 43.7 | Very low | 50.7 | Low | 170 Ų | 170 | 144.7 Ų | 144.7 | 89% | 0.89 | 75% | 0.749 | S | S | * | * | | | trans | 70.6 | 61.5 | 161.1 | -51.6 | 174.3 | 0 | 0 | 0 | 117.5 | | |
| 987 | C | 39.4 | Very low | 48 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 91% | 0.905 | 77% | 0.769 | S | S | * | * | | | trans | -100.1 | 84.3 | 136 | -172.3 | 0 | 0 | 0 | 0 | 109.3 | | |
| 988 | K | 41.2 | Very low | 45.7 | Very low | 195 Ų | 195 | 148.9 Ų | 148.9 | 85% | 0.848 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -141.2 | 136.3 | 156.9 | -78.4 | -157.4 | 172.9 | -169.4 | 0 | 107.6 | | |
| 989 | Q | 39.1 | Very low | 43.9 | Very low | 191 Ų | 191 | 154.9 Ų | 154.9 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | | | trans | -57.4 | 137.6 | -163.6 | -64.3 | 169.1 | -55.8 | 0 | 0 | 113.2 | | |
| 990 | D | 39.9 | Very low | 42.5 | Very low | 162 Ų | 162 | 158.6 Ų | 158.6 | 87% | 0.866 | 79% | 0.791 | S | S | * | * | | | trans | -95.3 | 113.6 | 159.9 | -161 | -12.8 | 0 | 0 | 0 | 107.9 | | |
| 991 | S | 43.1 | Very low | 41.1 | Very low | 95 Ų | 95 | 155.7 Ų | 155.7 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | | | trans | -165.7 | 123.2 | 176.2 | -83.1 | 0 | 0 | 0 | 0 | 112.4 | | |
| 992 | M | 37.4 | Very low | 41.1 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 82% | 0.823 | 80% | 0.799 | S | S | * | * | | | trans | 80.5 | 121.6 | 169.8 | -61.8 | -68.3 | 97.9 | 0 | 0 | 118.6 | | |
| 993 | P | 48.8 | Very low | 40.2 | Very low | 118 Ų | 118 | 155 Ų | 155 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | | | trans | -88.5 | 155.3 | 173.6 | 36.8 | -34.5 | 0 | 0 | 0 | 112.3 | | |
| 994 | I | 37.4 | Very low | 39.9 | Very low | 167 Ų | 167 | 153.4 Ų | 153.4 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | | | trans | -126.4 | 129.1 | 172.4 | -62.2 | 179.9 | 0 | 0 | 0 | 109.8 | | |
| 995 | L | 35.6 | Very low | 39.2 | Very low | 156 Ų | 156 | 155.3 Ų | 155.3 | 82% | 0.817 | 80% | 0.803 | S | S | * | * | | | trans | -87.5 | 160.6 | 178.7 | -79.8 | 172.1 | 0 | 0 | 0 | 111.9 | | |
| 996 | P | 48.7 | Very low | 38.9 | Very low | 116 Ų | 116 | 159.7 Ų | 159.7 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | | | trans | -77.9 | 129.6 | -161.2 | 29.5 | -35.8 | 0 | 0 | 0 | 114.3 | | |
| 997 | S | 32.1 | Very low | 38.7 | Very low | 118 Ų | 118 | 158.8 Ų | 158.8 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | | | trans | -107.1 | 148 | 172.4 | 58.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 998 | W | 33.2 | Very low | 38.4 | Very low | 216 Ų | 216 | 155.4 Ų | 155.4 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | | | trans | -96.6 | 176.3 | -163 | -74.6 | 47.3 | 0 | 0 | 0 | 114.1 | | |
| 999 | R | 35.4 | Very low | 38.4 | Very low | 187 Ų | 187 | 153 Ų | 153 | 71% | 0.706 | 80% | 0.802 | S | S | * | * | | | trans | 91.4 | 112.2 | 158.5 | -49.5 | -154.6 | -169.8 | -62.8 | -0.7 | 113.3 | | |
| 1000 | R | 36.8 | Very low | 38.6 | Very low | 224 Ų | 224 | 149 Ų | 149 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | | 97.9 | 105.4 | 61.1 | -92.6 | -171.2 | 175.3 | 174 | -2.4 | 109.6 | | |
| 1001 | T | 33.8 | Very low | 38.9 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 88% | 0.883 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 127 | 172.5 | -39.1 | 0 | 0 | 0 | 0 | 109.9 | | |
| 1002 | P | 46 | Very low | 38.6 | Very low | 117 Ų | 117 | 149 Ų | 149 | 76% | 0.76 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 154.5 | 164.9 | 34.2 | -30.6 | 0 | 0 | 0 | 111.7 | | |
| 1003 | E | 31.5 | Very low | 38.5 | Very low | 150 Ų | 150 | 150.4 Ų | 150.4 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 137.7 | -176.7 | -167.5 | -101 | -173.1 | 0 | 0 | 110.8 | R1005 | E1003-R1005 PolarHBondContact O-N 3.2Š|
| 1004 | P | 39.9 | Very low | 38 | Very low | 115 Ų | 115 | 156 Ų | 156 | 75% | 0.747 | 81% | 0.811 | S | S | * | * | | | trans | -85.8 | 110.3 | -173.8 | 31.6 | -33.5 | 0 | 0 | 0 | 113 | | |
| 1005 | R | 36.2 | Very low | 38.5 | Very low | 232 Ų | 232 | 153.9 Ų | 153.9 | 88% | 0.875 | 81% | 0.808 | S | S | * | * | | | trans | -83.2 | 164.6 | 171.2 | -80 | -172 | 165.4 | -159.5 | -4.8 | 113.5 | E1003 | E1003-R1005 PolarHBondContact O-N 3.2Š|
| 1006 | K | 38 | Very low | 38.5 | Very low | 179 Ų | 179 | 155.4 Ų | 155.4 | 78% | 0.778 | 81% | 0.811 | S | S | * | * | | | trans | -110.1 | 122.7 | -159.9 | -49.1 | 165.9 | -170.8 | 170.3 | 0 | 113.1 | | |
| 1007 | T | 38.5 | Very low | 38.2 | Very low | 152 Ų | 152 | 154.1 Ų | 154.1 | 93% | 0.933 | 81% | 0.811 | S | S | * | * | | | trans | -164.8 | 147 | 159.5 | 6.7 | 0 | 0 | 0 | 0 | 106.5 | | |
| 1008 | G | 34.1 | Very low | 38.5 | Very low | 63 Ų | 63 | 154.2 Ų | 154.2 | 65% | 0.649 | 81% | 0.806 | S | S | * | * | | | cis | 148.6 | 112.2 | 3.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | P1010 | G1008-P1010 WeakPolarHBondContact O-CD 3.28Š|
| 1009 | T | 41.8 | Very low | 38.8 | Very low | 144 Ų | 144 | 149 Ų | 149 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 127.5 | -160.6 | -44.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 1010 | P | 43.5 | Very low | 39.3 | Very low | 107 Ų | 107 | 150.9 Ų | 150.9 | 70% | 0.695 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 168.8 | 162 | 4.7 | 17.6 | 0 | 0 | 0 | 112.6 | G1008 | G1008-P1010 WeakPolarHBondContact O-CD 3.28Š|
| 1011 | P | 44.3 | Very low | 39.9 | Very low | 132 Ų | 132 | 146.9 Ų | 146.9 | 86% | 0.857 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -93.5 | 172.7 | -157.9 | 36.7 | -38.2 | 0 | 0 | 0 | 117.5 | | |
| 1012 | C | 38.2 | Very low | 40.7 | Very low | 124 Ų | 124 | 146.9 Ų | 146.9 | 84% | 0.838 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67 | 152.2 | -174.4 | -46.8 | 0 | 0 | 0 | 0 | 116.4 | | |
| 1013 | Q | 34.8 | Very low | 40.9 | Very low | 198 Ų | 198 | 145.7 Ų | 145.7 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | | | trans | -144.8 | 169.3 | 144.1 | -74.9 | -150.6 | 9.2 | 0 | 0 | 111.5 | | |
| 1014 | R | 38.7 | Very low | 41.5 | Very low | 235 Ų | 235 | 150.4 Ų | 150.4 | 89% | 0.887 | 83% | 0.828 | S | S | * | * | | | trans | -84.9 | 162.1 | 179 | -55 | -178.6 | -179.6 | 108.4 | -5.3 | 111.3 | | |
| 1015 | P | 46.8 | Very low | 41.6 | Very low | 122 Ų | 122 | 152.2 Ų | 152.2 | 79% | 0.792 | 83% | 0.832 | S | S | * | * | | | | -120.3 | 155.6 | 81.7 | 1.6 | 20.6 | 0 | 0 | 0 | 111.9 | | |
| 1016 | Q | 36 | Very low | 41.9 | Very low | 188 Ų | 188 | 148 Ų | 148 | 88% | 0.879 | 83% | 0.83 | S | S | * | * | | | | 74.5 | 129.4 | 54.5 | -158.8 | 173.5 | 5.5 | 0 | 0 | 113.3 | | |
| 1017 | A | 42.7 | Very low | 42.1 | Very low | 90 Ų | 90 | 146.3 Ų | 146.3 | 74% | 0.744 | 83% | 0.833 | S | S | * | * | | | trans | -90.8 | 154.4 | -167 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 1018 | V | 39.5 | Very low | 42.3 | Very low | 119 Ų | 119 | 145.9 Ų | 145.9 | 72% | 0.721 | 83% | 0.827 | S | S | * | * | | | trans | -133.2 | 126.8 | 159.9 | -178.1 | 0 | 0 | 0 | 0 | 107.5 | | |
| 1019 | V | 37.9 | Very low | 42.8 | Very low | 108 Ų | 108 | 151.1 Ų | 151.1 | 66% | 0.655 | 84% | 0.838 | S | S | * | * | | | trans | -87.6 | 143 | 172.4 | 174.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 1020 | W | 45.7 | Very low | 42.9 | Very low | 225 Ų | 225 | 151.6 Ų | 151.6 | 85% | 0.852 | 84% | 0.835 | S | S | * | * | | | trans | -130.5 | 106.9 | 161 | -72.8 | 97.5 | 0 | 0 | 0 | 108.3 | | |
| 1021 | D | 49.8 | Very low | 42.9 | Very low | 140 Ų | 140 | 154.8 Ų | 154.8 | 75% | 0.749 | 85% | 0.845 | S | S | * | * | | | trans | -70.5 | 142.9 | 170.6 | -70.3 | -61.3 | 0 | 0 | 0 | 110.4 | | |
| 1022 | T | 51.5 | Low | 42.8 | Very low | 144 Ų | 144 | 156.5 Ų | 156.5 | 88% | 0.883 | 84% | 0.844 | S | S | * | * | | | trans | -123.7 | 102.6 | 159.3 | 49.6 | 0 | 0 | 0 | 0 | 108.2 | | |
| 1023 | A | 50.1 | Low | 43.1 | Very low | 93 Ų | 93 | 159.3 Ų | 159.3 | 77% | 0.769 | 84% | 0.844 | S | S | * | * | | | trans | -132 | 103.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 1024 | I | 44.3 | Very low | 43.9 | Very low | 249 Ų | 249 | 155.7 Ų | 155.7 | 100% | 1.277 | 84% | 0.837 | S | S | * | * | | | trans | -138.2 | 0 | 136.1 | -57.5 | -172.7 | 0 | 0 | 0 | 105.4 | | |