| 1 | M | 65.1 | Low | 84.5 | Confident | 182 Ų | 182 | 104.4 Ų | 104.4 | 90% | 0.897 | 55% | 0.552 | S | S | * | * | | | | 0 | -27.7 | 0 | -72.7 | -65.2 | -84.4 | 0 | 0 | 113.5 | T3 L4 | M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 3.29Å; M1-L4 PolarHBondContact O-N 3.45Å |
| 2 | Q | 77.4 | Confident | 85 | Confident | 119 Ų | 119 | 101.8 Ų | 101.8 | 56% | 0.556 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -53.8 | -40.2 | 177.6 | -170.9 | 61.6 | 56.5 | 0 | 0 | 114.2 | L4 Q5 N6 | Q2-L4 VanDerWaalsContact C-N 3.32Å; Q2-L4 PolarHBondContact O-N 3.26Å; Q2-Q5 PolarHBondContact O-N 2.69Å; Q2-N6 PolarHBondContact NE2-OD1 2.97Å; Q2-N6 VanDerWaalsContact O-CG 3.32Å; Q2-N6 PolarHBondContact O-N 3.18Å; Q2-N6 VanDerWaalsContact O-N 3.11Å; Q2-N6 PolarHBondContact O-OD1 3.35Å |
| 3 | T | 78.9 | Confident | 85.3 | Confident | 109 Ų | 109 | 101.6 Ų | 101.6 | 67% | 0.669 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -61.8 | -37.6 | -178.4 | -43.8 | 0 | 0 | 0 | 0 | 113.1 | M1 N6 V7 | M1-T3 VanDerWaalsContact C-N 3.29Å; M1-T3 PolarHBondContact O-N 3.29Å; T3-N6 PolarHBondContact O-N 2.98Å; T3-V7 WeakPolarHBondContact O-CG2 3.31Å; T3-V7 PolarHBondContact O-N 2.91Å; T3-V7 VanDerWaalsContact O-N 3.11Å |
| 4 | L | 81.6 | Confident | 85.6 | Confident | 117 Ų | 117 | 100.9 Ų | 100.9 | 61% | 0.613 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -71.2 | -36.2 | -179.5 | -175 | 61.7 | 0 | 0 | 0 | 111.7 | M1 Q2 V7 S8 | M1-L4 PolarHBondContact O-N 3.45Å; Q2-L4 VanDerWaalsContact C-N 3.32Å; Q2-L4 PolarHBondContact O-N 3.26Å; L4-V7 PolarHBondContact O-N 3.41Å; L4-S8 WeakPolarHBondContact O-CB 3.23Å; L4-S8 PolarHBondContact O-N 3.23Å |
| 5 | Q | 84.9 | Confident | 85.8 | Confident | 116 Ų | 116 | 98.9 Ų | 98.9 | 54% | 0.542 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 175.1 | -69.5 | 177.2 | -14.3 | 0 | 0 | 111.3 | Q2 V7 S8 M9 | Q2-Q5 PolarHBondContact O-N 2.69Å; Q5-V7 PolarHBondContact O-N 3.43Å; Q5-S8 PolarHBondContact O-N 2.94Å; Q5-M9 WeakPolarHBondContact O-CB 3.43Å; Q5-M9 PolarHBondContact O-N 3.13Å |
| 6 | N | 86 | Confident | 85.8 | Confident | 74 Ų | 74 | 98.8 Ų | 98.8 | 40% | 0.396 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 176.7 | -64.6 | 1.6 | 0 | 0 | 0 | 111.8 | Q2 T3 M9 V10 | Q2-N6 PolarHBondContact NE2-OD1 2.97Å; Q2-N6 VanDerWaalsContact O-CG 3.32Å; Q2-N6 PolarHBondContact O-N 3.18Å; Q2-N6 VanDerWaalsContact O-N 3.11Å; Q2-N6 PolarHBondContact O-OD1 3.35Å; T3-N6 PolarHBondContact O-N 2.98Å; N6-M9 PolarHBondContact O-N 3.37Å; N6-V10 WeakPolarHBondContact O-CG2 3.27Å; N6-V10 PolarHBondContact O-N 3.13Å; N6-V10 VanDerWaalsContact O-N 3.08Å |
| 7 | V | 87.8 | Confident | 85.9 | Confident | 68 Ų | 68 | 99.9 Ų | 99.9 | 41% | 0.412 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 110.7 | T3 L4 Q5 M9 V10 Q11 | T3-V7 WeakPolarHBondContact O-CG2 3.31Å; T3-V7 PolarHBondContact O-N 2.91Å; T3-V7 VanDerWaalsContact O-N 3.11Å; L4-V7 PolarHBondContact O-N 3.41Å; Q5-V7 PolarHBondContact O-N 3.43Å; V7-M9 VanDerWaalsContact C-N 3.34Å; V7-M9 PolarHBondContact O-N 3.08Å; V7-V10 PolarHBondContact O-N 3.5Å; V7-Q11 HydrophobicContact CG1-CG 4.41Å; V7-Q11 WeakPolarHBondContact O-CB 3.24Å; V7-Q11 VanDerWaalsContact O-CG 3.23Å; V7-Q11 WeakPolarHBondContact O-CG 3.16Å; V7-Q11 PolarHBondContact O-N 3.42Å |
| 8 | S | 89.4 | Confident | 85.8 | Confident | 73 Ų | 73 | 100.2 Ų | 100.2 | 51% | 0.51 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.1 | -38.9 | 178.7 | -170.9 | 0 | 0 | 0 | 0 | 112.6 | L4 Q5 S12 | L4-S8 WeakPolarHBondContact O-CB 3.23Å; L4-S8 PolarHBondContact O-N 3.23Å; Q5-S8 PolarHBondContact O-N 2.94Å; S8-S12 WeakPolarHBondContact O-CB 3.19Å; S8-S12 PolarHBondContact O-N 3.45Å |
| 9 | M | 93.4 | Very high | 85.3 | Confident | 102 Ų | 102 | 100.5 Ų | 100.5 | 50% | 0.502 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.1 | -50.6 | 177.7 | -176.1 | -178 | 75.2 | 0 | 0 | 111.3 | Q5 N6 V7 Q11 S12 E13 | Q5-M9 WeakPolarHBondContact O-CB 3.43Å; Q5-M9 PolarHBondContact O-N 3.13Å; N6-M9 PolarHBondContact O-N 3.37Å; V7-M9 VanDerWaalsContact C-N 3.34Å; V7-M9 PolarHBondContact O-N 3.08Å; M9-Q11 VanDerWaalsContact C-N 3.3Å; M9-Q11 PolarHBondContact O-N 3.06Å; M9-S12 WeakPolarHBondContact O-CB 3.47Å; M9-S12 PolarHBondContact O-N 2.88Å; M9-S12 VanDerWaalsContact O-N 3.08Å; M9-E13 PolarHBondContact O-N 3.27Å |
| 10 | V | 92.4 | Very high | 84.2 | Confident | 71 Ų | 71 | 101.6 Ų | 101.6 | 43% | 0.43 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.6 | -40.7 | 178.3 | 171.7 | 0 | 0 | 0 | 0 | 111.2 | N6 V7 S12 E13 I14 | N6-V10 WeakPolarHBondContact O-CG2 3.27Å; N6-V10 PolarHBondContact O-N 3.13Å; N6-V10 VanDerWaalsContact O-N 3.08Å; V7-V10 PolarHBondContact O-N 3.5Å; V10-S12 VanDerWaalsContact C-N 3.33Å; V10-S12 PolarHBondContact O-N 3.02Å; V10-E13 PolarHBondContact O-N 3.02Å; V10-I14 HydrophobicContact CG1-CD1 3.81Å; V10-I14 WeakPolarHBondContact O-CD1 3.3Å; V10-I14 VanDerWaalsContact O-CG1 3.25Å; V10-I14 WeakPolarHBondContact O-CG1 3.35Å; V10-I14 PolarHBondContact O-N 3Å |
| 11 | Q | 92.8 | Very high | 82.9 | Confident | 117 Ų | 117 | 100 Ų | 100 | 55% | 0.547 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.8 | -37.8 | 175.8 | -74.5 | 176.1 | -20.5 | 0 | 0 | 112.6 | V7 M9 S15 | V7-Q11 HydrophobicContact CG1-CG 4.41Å; V7-Q11 WeakPolarHBondContact O-CB 3.24Å; V7-Q11 VanDerWaalsContact O-CG 3.23Å; V7-Q11 WeakPolarHBondContact O-CG 3.16Å; V7-Q11 PolarHBondContact O-N 3.42Å; M9-Q11 VanDerWaalsContact C-N 3.3Å; M9-Q11 PolarHBondContact O-N 3.06Å; Q11-S15 WeakPolarHBondContact O-CB 3.4Å; Q11-S15 PolarHBondContact O-N 3.26Å; Q11-S15 PolarHBondContact O-OG 3.28Å |
| 12 | S | 90.1 | Very high | 82.5 | Confident | 73 Ų | 73 | 96.7 Ų | 96.7 | 51% | 0.51 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.5 | -43.3 | 175.9 | -171.3 | 0 | 0 | 0 | 0 | 112 | S8 M9 V10 S15 E16 | S8-S12 WeakPolarHBondContact O-CB 3.19Å; S8-S12 PolarHBondContact O-N 3.45Å; M9-S12 WeakPolarHBondContact O-CB 3.47Å; M9-S12 PolarHBondContact O-N 2.88Å; M9-S12 VanDerWaalsContact O-N 3.08Å; V10-S12 VanDerWaalsContact C-N 3.33Å; V10-S12 PolarHBondContact O-N 3.02Å; S12-S15 PolarHBondContact O-N 3.45Å; S12-E16 WeakPolarHBondContact O-CB 3.49Å; S12-E16 PolarHBondContact O-N 3.26Å |
| 13 | E | 88.9 | Confident | 81.5 | Confident | 100 Ų | 100 | 96.5 Ų | 96.5 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 177 | -72.2 | 174.9 | -155.7 | 0 | 0 | 111.6 | M9 V10 S15 E16 I17 | M9-E13 PolarHBondContact O-N 3.27Å; V10-E13 PolarHBondContact O-N 3.02Å; E13-S15 VanDerWaalsContact C-N 3.32Å; E13-S15 PolarHBondContact O-N 2.62Å; E13-E16 PolarHBondContact O-N 3.32Å; E13-I17 WeakPolarHBondContact O-CG1 3.25Å; E13-I17 PolarHBondContact O-N 2.99Å |
| 14 | I | 90.3 | Very high | 80.4 | Confident | 91 Ų | 91 | 98.7 Ų | 98.7 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 175 | -68.3 | 166.4 | 0 | 0 | 0 | 110.5 | V10 E16 I17 L18 | V10-I14 HydrophobicContact CG1-CD1 3.81Å; V10-I14 WeakPolarHBondContact O-CD1 3.3Å; V10-I14 VanDerWaalsContact O-CG1 3.25Å; V10-I14 WeakPolarHBondContact O-CG1 3.35Å; V10-I14 PolarHBondContact O-N 3Å; I14-E16 VanDerWaalsContact C-N 3.32Å; I14-E16 PolarHBondContact O-N 3.32Å; I14-I17 PolarHBondContact O-N 3.36Å; I14-L18 HydrophobicContact CG2-CD1 3.83Å; I14-L18 HydrophobicContact CG2-CG 4.46Å; I14-L18 VanDerWaalsContact O-CG 3.29Å; I14-L18 WeakPolarHBondContact O-CG 3.1Å; I14-L18 PolarHBondContact O-N 3.4Å; I14-L18 VanDerWaalsContact O-N 3.08Å |
| 15 | S | 87.8 | Confident | 79.2 | Confident | 71 Ų | 71 | 98.9 Ų | 98.9 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 178.5 | -59.5 | 0 | 0 | 0 | 0 | 112 | Q11 S12 E13 N19 | Q11-S15 WeakPolarHBondContact O-CB 3.4Å; Q11-S15 PolarHBondContact O-N 3.26Å; Q11-S15 PolarHBondContact O-OG 3.28Å; S12-S15 PolarHBondContact O-N 3.45Å; E13-S15 VanDerWaalsContact C-N 3.32Å; E13-S15 PolarHBondContact O-N 2.62Å; S15-N19 WeakPolarHBondContact O-CB 3.29Å; S15-N19 PolarHBondContact O-N 3.03Å |
| 16 | E | 85.8 | Confident | 77.8 | Confident | 97 Ų | 97 | 101.5 Ų | 101.5 | 45% | 0.453 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.3 | -46.7 | 177.5 | -172.3 | 175.9 | 175.2 | 0 | 0 | 111.8 | S12 E13 I14 L18 N19 K20 | S12-E16 WeakPolarHBondContact O-CB 3.49Å; S12-E16 PolarHBondContact O-N 3.26Å; E13-E16 PolarHBondContact O-N 3.32Å; I14-E16 VanDerWaalsContact C-N 3.32Å; I14-E16 PolarHBondContact O-N 3.32Å; E16-L18 PolarHBondContact O-N 3.47Å; E16-N19 PolarHBondContact O-N 3.08Å; E16-K20 HydrophobicContact CG-CD 4.05Å; E16-K20 HydrophobicContact CG-CG 4.4Å; E16-K20 WeakPolarHBondContact O-CB 3.47Å; E16-K20 VanDerWaalsContact O-CG 3.3Å; E16-K20 WeakPolarHBondContact O-CG 3.16Å; E16-K20 PolarHBondContact O-N 2.95Å; E16-K20 WeakPolarHBondContact OE1-CE 3.34Å; E16-K20 IonicContact OE1-NZ 2.62Å; E16-K20 PolarHBondContact OE1-NZ 3.16Å |
| 17 | I | 87 | Confident | 76.4 | Confident | 118 Ų | 118 | 101.2 Ų | 101.2 | 61% | 0.605 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60.6 | -48.5 | 178.5 | -67.3 | 164.3 | 0 | 0 | 0 | 110.4 | E13 I14 S21 | E13-I17 WeakPolarHBondContact O-CG1 3.25Å; E13-I17 PolarHBondContact O-N 2.99Å; I14-I17 PolarHBondContact O-N 3.36Å; I17-S21 WeakPolarHBondContact O-CB 3.23Å; I17-S21 PolarHBondContact O-N 3.08Å |
| 18 | L | 84.8 | Confident | 75.1 | Confident | 106 Ų | 106 | 103.5 Ų | 103.5 | 56% | 0.555 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.1 | -39.5 | -178.6 | -66.3 | 174.7 | 0 | 0 | 0 | 111.9 | I14 E16 I22 | I14-L18 HydrophobicContact CG2-CD1 3.83Å; I14-L18 HydrophobicContact CG2-CG 4.46Å; I14-L18 VanDerWaalsContact O-CG 3.29Å; I14-L18 WeakPolarHBondContact O-CG 3.1Å; I14-L18 PolarHBondContact O-N 3.4Å; I14-L18 VanDerWaalsContact O-N 3.08Å; E16-L18 PolarHBondContact O-N 3.47Å; L18-I22 VanDerWaalsContact O-CD1 3.27Å; L18-I22 WeakPolarHBondContact O-CD1 3.37Å; L18-I22 VanDerWaalsContact O-CG1 3.24Å; L18-I22 WeakPolarHBondContact O-CG1 3.4Å; L18-I22 PolarHBondContact O-N 2.74Å |
| 19 | N | 76 | Confident | 73.7 | Confident | 106 Ų | 106 | 107.8 Ų | 107.8 | 57% | 0.567 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -73.9 | -34.5 | -178.6 | -165.9 | 36.7 | 0 | 0 | 0 | 112.7 | S15 E16 | S15-N19 WeakPolarHBondContact O-CB 3.29Å; S15-N19 PolarHBondContact O-N 3.03Å; E16-N19 PolarHBondContact O-N 3.08Å |
| 20 | K | 63.6 | Low | 71.8 | Confident | 121 Ų | 121 | 110.6 Ų | 110.6 | 53% | 0.526 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -76.1 | -36.8 | 175.3 | -67 | -171.6 | -175.3 | -177.8 | 0 | 112.6 | E16 I22 I23 E24 | E16-K20 HydrophobicContact CG-CD 4.05Å; E16-K20 HydrophobicContact CG-CG 4.4Å; E16-K20 WeakPolarHBondContact O-CB 3.47Å; E16-K20 VanDerWaalsContact O-CG 3.3Å; E16-K20 WeakPolarHBondContact O-CG 3.16Å; E16-K20 PolarHBondContact O-N 2.95Å; E16-K20 WeakPolarHBondContact OE1-CE 3.34Å; E16-K20 IonicContact OE1-NZ 2.62Å; E16-K20 PolarHBondContact OE1-NZ 3.16Å; K20-I22 PolarHBondContact O-N 3.22Å; K20-I23 PolarHBondContact O-N 3.13Å; K20-E24 PolarHBondContact O-N 3.15Å |
| 21 | S | 56.3 | Low | 70.1 | Confident | 69 Ų | 69 | 112.8 Ų | 112.8 | 48% | 0.483 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66 | -19 | 178.2 | -175.7 | 0 | 0 | 0 | 0 | 113.5 | I17 V25 | I17-S21 WeakPolarHBondContact O-CB 3.23Å; I17-S21 PolarHBondContact O-N 3.08Å; S21-V25 WeakPolarHBondContact O-CG2 3.42Å |
| 22 | I | 57.2 | Low | 68.5 | Low | 112 Ų | 112 | 111.2 Ų | 111.2 | 57% | 0.574 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -80 | -32.6 | 175.7 | -68.6 | 163.2 | 0 | 0 | 0 | 111.4 | L18 K20 | L18-I22 VanDerWaalsContact O-CD1 3.27Å; L18-I22 WeakPolarHBondContact O-CD1 3.37Å; L18-I22 VanDerWaalsContact O-CG1 3.24Å; L18-I22 WeakPolarHBondContact O-CG1 3.4Å; L18-I22 PolarHBondContact O-N 2.74Å; K20-I22 PolarHBondContact O-N 3.22Å |
| 23 | I | 57.2 | Low | 66.8 | Low | 116 Ų | 116 | 116.6 Ų | 116.6 | 60% | 0.595 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -84.4 | -30.6 | -176.3 | -59.5 | 177.6 | 0 | 0 | 0 | 111.9 | K20 | K20-I23 PolarHBondContact O-N 3.13Å |
| 24 | E | 55.1 | Low | 65.2 | Low | 155 Ų | 155 | 121.3 Ų | 121.3 | 72% | 0.724 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79.5 | -17.9 | -176.1 | -165.5 | 170.2 | -170.8 | 0 | 0 | 114.2 | K20 | K20-E24 PolarHBondContact O-N 3.15Å |
| 25 | V | 55.4 | Low | 63.4 | Low | 121 Ų | 121 | 125 Ų | 125 | 73% | 0.733 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -96.5 | -24.3 | -179.6 | -172.2 | 0 | 0 | 0 | 0 | 112.7 | S21 | S21-V25 WeakPolarHBondContact O-CG2 3.42Å |
| 26 | E | 56.3 | Low | 61.1 | Low | 171 Ų | 171 | 127.8 Ų | 127.8 | 80% | 0.799 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -92.8 | -15.3 | -179.3 | -163.9 | 168 | -175.1 | 0 | 0 | 113.3 | | |
| 27 | N | 57.8 | Low | 58.8 | Low | 67 Ų | 67 | 129.7 Ų | 129.7 | 36% | 0.358 | 68% | 0.681 | S | S | . | * | | | trans | -154.3 | 99.4 | 171.8 | -155.2 | -17.6 | 0 | 0 | 0 | 114 | Q29 F30 | N27-Q29 PolarHBondContact O-N 3.37Å; N27-Q29 WeakPolarHBondContact OD1-CB 3.45Å; N27-Q29 PolarHBondContact OD1-N 3.36Å; N27-F30 HydrophobicContact CB-CD2 4.32Å; N27-F30 WeakPolarHBondContact ND2-CD2 3.35Å; N27-F30 WeakPolarHBondContact ND2-CE2 3.46Å |
| 28 | P | 59.6 | Low | 56.8 | Low | 117 Ų | 117 | 132.9 Ų | 132.9 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -6.8 | 176.2 | -19.5 | 30.8 | 0 | 0 | 0 | 114.6 | | |
| 29 | Q | 59.4 | Low | 55 | Low | 163 Ų | 163 | 130.7 Ų | 130.7 | 76% | 0.762 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.8 | 11.9 | -166.3 | -149.3 | 170.8 | 9.4 | 0 | 0 | 114.6 | N27 | N27-Q29 PolarHBondContact O-N 3.37Å; N27-Q29 WeakPolarHBondContact OD1-CB 3.45Å; N27-Q29 PolarHBondContact OD1-N 3.36Å |
| 30 | F | 53.8 | Low | 53.3 | Low | 160 Ų | 160 | 132.3 Ų | 132.3 | 70% | 0.702 | 71% | 0.708 | S | S | * | * | | | trans | -120.1 | 21.8 | 179.4 | -81.3 | -80.7 | 0 | 0 | 0 | 115 | N27 S32 | N27-F30 HydrophobicContact CB-CD2 4.32Å; N27-F30 WeakPolarHBondContact ND2-CD2 3.35Å; N27-F30 WeakPolarHBondContact ND2-CE2 3.46Å; F30-S32 PolarHBondContact O-N 2.83Å |
| 31 | S | 56.5 | Low | 52.5 | Low | 118 Ų | 118 | 138 Ų | 138 | 83% | 0.825 | 73% | 0.726 | S | S | * | * | | | trans | -90.6 | 47.7 | 162.5 | 72.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 32 | S | 60.1 | Low | 51.9 | Low | 84 Ų | 84 | 142.7 Ų | 142.7 | 59% | 0.587 | 74% | 0.744 | S | S | * | * | | | trans | -100.9 | 121.6 | 168.3 | 68.1 | 0 | 0 | 0 | 0 | 110.2 | F30 | F30-S32 PolarHBondContact O-N 2.83Š|
| 33 | E | 53.8 | Low | 51.3 | Low | 186 Ų | 186 | 145 Ų | 145 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | | | trans | 65.7 | 82.8 | 150.1 | -67.1 | 172.5 | 167.8 | 0 | 0 | 118.1 | | |
| 34 | K | 55.8 | Low | 50.5 | Low | 199 Ų | 199 | 147.1 Ų | 147.1 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | | | trans | -147 | 51.9 | 140.4 | 64.4 | 178.5 | -175.7 | -159.9 | 0 | 113 | | |
| 35 | N | 51.3 | Low | 49.5 | Very low | 167 Ų | 167 | 146.4 Ų | 146.4 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -106.2 | 87.8 | 150.8 | -85.9 | -58.6 | 0 | 0 | 0 | 107.9 | | |
| 36 | L | 40.6 | Very low | 48.5 | Very low | 130 Ų | 130 | 148.4 Ų | 148.4 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | | | trans | 56.2 | 92.7 | 145.4 | -156.2 | 63.1 | 0 | 0 | 0 | 117.7 | F38 | L36-F38 HydrophobicContact CD1-CD2 3.76Å; L36-F38 HydrophobicContact CD1-CE2 3.65Å; L36-F38 HydrophobicContact CD2-CD2 3.68Å; L36-F38 HydrophobicContact CD2-CE2 3.97Å; L36-F38 HydrophobicContact CG-CD2 3.55Å; L36-F38 HydrophobicContact CG-CE2 3.94Å; L36-F38 PolarHBondContact O-N 3.3Å; L36-F38 VanDerWaalsContact O-N 3.13Å |
| 37 | V | 38.3 | Very low | 48.3 | Very low | 138 Ų | 138 | 145.3 Ų | 145.3 | 84% | 0.836 | 76% | 0.758 | S | S | * | * | | | trans | -52.2 | 109 | 143.9 | 171.8 | 0 | 0 | 0 | 0 | 109 | | |
| 38 | F | 43.8 | Very low | 47.1 | Very low | 185 Ų | 185 | 148 Ų | 148 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | trans | -137.7 | 114.3 | 141.7 | -85.9 | -68.4 | 0 | 0 | 0 | 108.1 | L36 | L36-F38 HydrophobicContact CD1-CD2 3.76Å; L36-F38 HydrophobicContact CD1-CE2 3.65Å; L36-F38 HydrophobicContact CD2-CD2 3.68Å; L36-F38 HydrophobicContact CD2-CE2 3.97Å; L36-F38 HydrophobicContact CG-CD2 3.55Å; L36-F38 HydrophobicContact CG-CE2 3.94Å; L36-F38 PolarHBondContact O-N 3.3Å; L36-F38 VanDerWaalsContact O-N 3.13Å |
| 39 | G | 48.1 | Very low | 46.2 | Very low | 60 Ų | 60 | 150.2 Ų | 150.2 | 62% | 0.619 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 128.6 | 98 | 163 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 40 | T | 39.8 | Very low | 45.5 | Very low | 140 Ų | 140 | 148.4 Ų | 148.4 | 86% | 0.859 | 77% | 0.773 | S | S | * | * | | | trans | 68.6 | 100.8 | 154 | 51.7 | 0 | 0 | 0 | 0 | 118.9 | I42 | T40-I42 PolarHBondContact O-N 3.11Š|
| 41 | R | 46 | Very low | 44.7 | Very low | 241 Ų | 241 | 150.2 Ų | 150.2 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | -36.7 | 123.8 | 144.4 | -86 | 179 | 170.5 | -172.6 | -4.3 | 110.5 | | |
| 42 | I | 44.6 | Very low | 44.1 | Very low | 167 Ų | 167 | 153.5 Ų | 153.5 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | | | trans | -133.5 | 115.2 | 132.6 | -60.7 | -174.5 | 0 | 0 | 0 | 107.3 | T40 | T40-I42 PolarHBondContact O-N 3.11Š|
| 43 | E | 44.1 | Very low | 43.1 | Very low | 159 Ų | 159 | 157.3 Ų | 157.3 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | | | trans | -58.6 | 144.8 | 169.7 | -147.7 | 178 | 147.9 | 0 | 0 | 109.5 | | |
| 44 | K | 40.4 | Very low | 42.5 | Very low | 162 Ų | 162 | 155.5 Ų | 155.5 | 70% | 0.704 | 79% | 0.791 | S | S | * | * | | | trans | 95 | 126.9 | 136 | -164.3 | 163.5 | 171.9 | 178.8 | 0 | 119.4 | | |
| 45 | D | 33.6 | Very low | 42 | Very low | 139 Ų | 139 | 153.9 Ų | 153.9 | 74% | 0.743 | 79% | 0.791 | S | S | * | * | | | trans | 85 | 101.2 | 155.7 | -58.3 | -20 | 0 | 0 | 0 | 121 | | |
| 46 | L | 35.6 | Very low | 41.6 | Very low | 164 Ų | 164 | 151 Ų | 151 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | | | trans | -80.1 | 167.9 | 138.8 | -93.1 | 149.6 | 0 | 0 | 0 | 108.6 | | |
| 47 | P | 50.3 | Low | 41.7 | Very low | 105 Ų | 105 | 153.2 Ų | 153.2 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | | | cis | -126.8 | -170.9 | -23.6 | 33 | -13 | 0 | 0 | 0 | 110.3 | | |
| 48 | T | 33.9 | Very low | 41.8 | Very low | 125 Ų | 125 | 156.1 Ų | 156.1 | 77% | 0.767 | 80% | 0.797 | S | S | * | * | | | | 157.3 | 126.1 | 126.2 | -52.2 | 0 | 0 | 0 | 0 | 111.8 | | |
| 49 | E | 40.3 | Very low | 42 | Very low | 163 Ų | 163 | 156.2 Ų | 156.2 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | | | trans | -18.6 | 151.9 | 152.9 | -131.6 | -178.2 | 150.8 | 0 | 0 | 117.9 | | |
| 50 | N | 45.2 | Very low | 42 | Very low | 124 Ų | 124 | 157.3 Ų | 157.3 | 66% | 0.663 | 80% | 0.796 | S | S | * | * | | | trans | 88.4 | 109.5 | 157.4 | -38 | -38 | 0 | 0 | 0 | 117.2 | | |
| 51 | Q | 37.4 | Very low | 42.1 | Very low | 198 Ų | 198 | 159.8 Ų | 159.8 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | | | | 178.9 | 128.2 | 113.7 | -95 | 170.3 | 5.5 | 0 | 0 | 111.1 | | |
| 52 | E | 42.8 | Very low | 42 | Very low | 187 Ų | 187 | 155.4 Ų | 155.4 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | | | trans | -56.1 | 161.2 | 162.9 | -76.5 | 172.8 | 122.4 | 0 | 0 | 111.8 | | |
| 53 | E | 40 | Very low | 42.1 | Very low | 164 Ų | 164 | 157.4 Ų | 157.4 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | | | trans | 74.4 | 108.6 | 154 | -156.7 | 177 | -166.6 | 0 | 0 | 115.9 | | |
| 54 | N | 39.8 | Very low | 42.5 | Very low | 149 Ų | 149 | 155 Ų | 155 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | | -172.3 | 122.3 | 106.2 | -99.2 | -79.2 | 0 | 0 | 0 | 111 | | |
| 55 | L | 46.8 | Very low | 42.6 | Very low | 164 Ų | 164 | 151.7 Ų | 151.7 | 86% | 0.859 | 77% | 0.768 | S | S | * | * | | | trans | -58.5 | 147.5 | 165.7 | -61.9 | 152.6 | 0 | 0 | 0 | 110.2 | | |
| 56 | S | 42.3 | Very low | 43.2 | Very low | 106 Ų | 106 | 151.2 Ų | 151.2 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | | | | 173.6 | 121.3 | 119.8 | -169.7 | 0 | 0 | 0 | 0 | 113.3 | | |
| 57 | M | 42.8 | Very low | 43.9 | Very low | 178 Ų | 178 | 151.1 Ų | 151.1 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | | | trans | 24.1 | 121.7 | 144.7 | -72.4 | 163.1 | 54.2 | 0 | 0 | 120.7 | | |
| 58 | E | 40.2 | Very low | 43.7 | Very low | 199 Ų | 199 | 153 Ų | 153 | 93% | 0.93 | 78% | 0.778 | S | S | * | * | | | | -147.9 | 150.5 | 118.8 | -157.1 | 162.8 | 151 | 0 | 0 | 112.4 | | |
| 59 | K | 46.8 | Very low | 44.3 | Very low | 187 Ų | 187 | 154.3 Ų | 154.3 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | -60.8 | 138.9 | -160.3 | -104.7 | 178.1 | 161.2 | -178.8 | 0 | 118.2 | | |
| 60 | S | 48.3 | Very low | 44.5 | Very low | 83 Ų | 83 | 155 Ų | 155 | 58% | 0.58 | 78% | 0.782 | S | S | * | * | | | | 25.3 | 125.1 | 123 | 69.6 | 0 | 0 | 0 | 0 | 120.9 | | |
| 61 | H | 42.2 | Very low | 44.6 | Very low | 192 Ų | 192 | 154.2 Ų | 154.2 | 89% | 0.889 | 79% | 0.787 | S | S | * | * | | | | -154 | 124.7 | 110.5 | -112.4 | -57.3 | 0 | 0 | 0 | 112.3 | | |
| 62 | H | 43.4 | Very low | 45.2 | Very low | 149 Ų | 149 | 150.9 Ų | 150.9 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | | | trans | -69.7 | 133.5 | 167.2 | 177.5 | 46.6 | 0 | 0 | 0 | 110 | E64 | H62-E64 WeakPolarHBondContact CE1-CG 3.42Š|
| 63 | F | 48.6 | Very low | 45.3 | Very low | 208 Ų | 208 | 150.4 Ų | 150.4 | 91% | 0.912 | 78% | 0.777 | S | S | * | * | | | trans | -145.5 | 117.2 | 142.2 | -145.8 | -96.2 | 0 | 0 | 0 | 109.6 | | |
| 64 | E | 50.7 | Low | 45.6 | Very low | 110 Ų | 110 | 149.7 Ų | 149.7 | 51% | 0.514 | 77% | 0.774 | S | S | . | * | | | trans | -79.8 | 165.2 | 177.5 | -105.4 | -77.7 | -162.1 | 0 | 0 | 112 | H62 | H62-E64 WeakPolarHBondContact CE1-CG 3.42Š|
| 65 | D | 42.8 | Very low | 45.9 | Very low | 92 Ų | 92 | 150.7 Ų | 150.7 | 49% | 0.492 | 77% | 0.771 | S | S | . | * | | | trans | 70.2 | 106.1 | 152.1 | -70.4 | -47.4 | 0 | 0 | 0 | 119.4 | K67 | D65-K67 IonicContact OD1-NZ 2.69Å; D65-K67 PolarHBondContact OD1-NZ 3.44Å |
| 66 | S | 47.3 | Very low | 46.2 | Very low | 128 Ų | 128 | 151.7 Ų | 151.7 | 90% | 0.895 | 78% | 0.776 | S | S | * | * | | | trans | -145.2 | 82.8 | 131.8 | -75.5 | 0 | 0 | 0 | 0 | 110.1 | | |
| 67 | K | 50.7 | Low | 46.4 | Very low | 162 Ų | 162 | 152.5 Ų | 152.5 | 70% | 0.704 | 78% | 0.782 | S | S | * | * | | | trans | -76.6 | 124.9 | 156.4 | -55.5 | 168.4 | -178.9 | 100.1 | 0 | 107.2 | D65 | D65-K67 IonicContact OD1-NZ 2.69Å; D65-K67 PolarHBondContact OD1-NZ 3.44Å |
| 68 | T | 46.2 | Very low | 46.7 | Very low | 145 Ų | 145 | 147.4 Ų | 147.4 | 89% | 0.89 | 78% | 0.776 | S | S | * | * | | | trans | -162.2 | 119.4 | 142.7 | 0.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 69 | L | 46.4 | Very low | 46.9 | Very low | 153 Ų | 153 | 145 Ų | 145 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | | | trans | -77.5 | 144.5 | 170.6 | -68.2 | 168.9 | 0 | 0 | 0 | 110 | | |
| 70 | H | 43.8 | Very low | 47.1 | Very low | 177 Ų | 177 | 141.7 Ų | 141.7 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | | | trans | 49.3 | 125.3 | 156.4 | -73.2 | -69.2 | 0 | 0 | 0 | 120.4 | | |
| 71 | S | 46 | Very low | 47.2 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | | | trans | -152.3 | 135.9 | 133.9 | -164.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 72 | V | 51.4 | Low | 47.7 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | | | trans | -83.4 | 133.1 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 73 | E | 44.4 | Very low | 48.3 | Very low | 177 Ų | 177 | 139.4 Ų | 139.4 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | | | trans | -145 | 96.9 | 159.5 | 40 | -158.4 | 136.3 | 0 | 0 | 111.4 | | |
| 74 | E | 46.4 | Very low | 48.7 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | | | trans | -51.6 | 137.8 | 152.8 | -179.8 | -158.5 | 130.9 | 0 | 0 | 110.1 | | |
| 75 | K | 46 | Very low | 49.1 | Very low | 170 Ų | 170 | 137.7 Ų | 137.7 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | | | trans | 158.7 | 95 | 135.7 | -74.1 | -120.6 | -178.2 | -85.9 | 0 | 110.1 | | |
| 76 | L | 53.8 | Low | 49.5 | Very low | 185 Ų | 185 | 142.1 Ų | 142.1 | 97% | 0.969 | 80% | 0.803 | S | S | * | * | | | trans | -91.2 | 109.7 | 158.9 | -69.7 | -179.3 | 0 | 0 | 0 | 108.4 | G78 | L76-G78 PolarHBondContact O-N 3.48Š|
| 77 | S | 46.9 | Very low | 49.8 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | | | trans | -52 | 122.4 | 176.4 | -172.8 | 0 | 0 | 0 | 0 | 111.4 | | |
| 78 | G | 47.3 | Very low | 50.2 | Low | 72 Ų | 72 | 140.1 Ų | 140.1 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | | | trans | -90.1 | 126.5 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | L76 | L76-G78 PolarHBondContact O-N 3.48Š|
| 79 | D | 44.4 | Very low | 50.5 | Low | 147 Ų | 147 | 139.7 Ų | 139.7 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | | | trans | -166 | 114.7 | 142.2 | -152 | 3.6 | 0 | 0 | 0 | 109.6 | | |
| 80 | S | 51.2 | Low | 51.3 | Low | 118 Ų | 118 | 137.6 Ų | 137.6 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | | | trans | 178.8 | 103.6 | 145.6 | -177.3 | 0 | 0 | 0 | 0 | 108.5 | | |
| 81 | V | 50.3 | Low | 51.9 | Low | 103 Ų | 103 | 134.3 Ų | 134.3 | 62% | 0.624 | 78% | 0.783 | S | S | * | * | | | trans | -67.1 | 147.7 | 177.4 | -146.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 82 | N | 54.3 | Low | 52.5 | Low | 148 Ų | 148 | 134 Ų | 134 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | 65.7 | 88 | 165 | 42 | -86 | 0 | 0 | 0 | 119.5 | | |
| 83 | S | 54.7 | Low | 52.7 | Low | 126 Ų | 126 | 136.5 Ų | 136.5 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | | | trans | -142.6 | 126.9 | 132 | 39.8 | 0 | 0 | 0 | 0 | 111.3 | | |
| 84 | L | 57 | Low | 53.3 | Low | 166 Ų | 166 | 135.2 Ų | 135.2 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | | | trans | -55.9 | 146.5 | -172.6 | -172.4 | 71.2 | 0 | 0 | 0 | 113.5 | | |
| 85 | P | 58.8 | Low | 53.7 | Low | 115 Ų | 115 | 134.6 Ų | 134.6 | 75% | 0.747 | 78% | 0.778 | S | S | * | * | | | trans | -69.4 | 138.7 | -175.1 | 28.7 | -32.8 | 0 | 0 | 0 | 112.1 | S87 | P85-S87 PolarHBondContact O-N 3.29Š|
| 86 | Q | 52.6 | Low | 54.5 | Low | 185 Ų | 185 | 131.7 Ų | 131.7 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -25.9 | 109.1 | 168 | -167.1 | 161.7 | 9.6 | 0 | 0 | 114.1 | V88 | Q86-V88 PolarHBondContact O-N 3Å; Q86-V88 VanDerWaalsContact O-N 3.13Å |
| 87 | S | 52.5 | Low | 54.5 | Low | 111 Ų | 111 | 129.6 Ų | 129.6 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | | | trans | -65.8 | 109.5 | 172.4 | 62.7 | 0 | 0 | 0 | 0 | 109.8 | P85 N89 | P85-S87 PolarHBondContact O-N 3.29Å; S87-N89 PolarHBondContact O-N 3.45Å |
| 88 | V | 59 | Low | 54.1 | Low | 138 Ų | 138 | 131.7 Ų | 131.7 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | | | trans | -78 | 101.8 | 162.4 | -135.4 | 0 | 0 | 0 | 0 | 106.3 | Q86 | Q86-V88 PolarHBondContact O-N 3Å; Q86-V88 VanDerWaalsContact O-N 3.13Å |
| 89 | N | 53.8 | Low | 54.1 | Low | 136 Ų | 136 | 133.6 Ų | 133.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | -127.5 | 87.1 | 168.1 | -153.8 | -13.5 | 0 | 0 | 0 | 108.4 | S87 | S87-N89 PolarHBondContact O-N 3.45Š|
| 90 | V | 61.9 | Low | 54.6 | Low | 108 Ų | 108 | 134.6 Ų | 134.6 | 66% | 0.655 | 77% | 0.768 | S | S | * | * | | | trans | -102.9 | 109.9 | 164.9 | 179.1 | 0 | 0 | 0 | 0 | 106.2 | S92 | V90-S92 PolarHBondContact O-N 3.45Å; V90-S92 VanDerWaalsContact O-N 3.15Å |
| 91 | P | 57 | Low | 54.3 | Low | 109 Ų | 109 | 134.6 Ų | 134.6 | 71% | 0.708 | 76% | 0.763 | S | S | * | * | | | trans | -76.9 | 95.1 | 163.2 | -7.5 | 24.9 | 0 | 0 | 0 | 107.7 | Q93 | P91-Q93 PolarHBondContact O-N 3.43Å; P91-Q93 VanDerWaalsContact O-N 3.13Å |
| 92 | S | 58.3 | Low | 54.2 | Low | 101 Ų | 101 | 137 Ų | 137 | 71% | 0.706 | 77% | 0.772 | S | S | * | * | | | trans | -76.8 | 89.7 | 166.7 | -59.7 | 0 | 0 | 0 | 0 | 108.7 | V90 | V90-S92 PolarHBondContact O-N 3.45Å; V90-S92 VanDerWaalsContact O-N 3.15Å |
| 93 | Q | 56.4 | Low | 53.7 | Low | 180 Ų | 180 | 140.9 Ų | 140.9 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | | | trans | -108.4 | 87.9 | 167.3 | -170 | 173 | -3.9 | 0 | 0 | 109.1 | P91 | P91-Q93 PolarHBondContact O-N 3.43Å; P91-Q93 VanDerWaalsContact O-N 3.13Å |
| 94 | I | 57.8 | Low | 53.5 | Low | 150 Ų | 150 | 141.1 Ų | 141.1 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | -99.4 | 96.5 | 167 | -33.8 | 174.8 | 0 | 0 | 0 | 105.8 | S96 | I94-S96 PolarHBondContact O-N 3.21Š|
| 95 | H | 54.4 | Low | 52.7 | Low | 136 Ų | 136 | 138.1 Ų | 138.1 | 63% | 0.63 | 76% | 0.764 | S | S | * | * | | | trans | -68.4 | 110.7 | 166.3 | 162.5 | -73.6 | 0 | 0 | 0 | 107.4 | E97 | H95-E97 PolarHBondContact CE1-O 2.97Š|
| 96 | S | 62 | Low | 52.4 | Low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | | | trans | -115.7 | 82.7 | 168.7 | 47.6 | 0 | 0 | 0 | 0 | 108.5 | I94 | I94-S96 PolarHBondContact O-N 3.21Š|
| 97 | E | 54.4 | Low | 52.1 | Low | 142 Ų | 142 | 136 Ų | 136 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | | | trans | -124.7 | 99.3 | 157.3 | -64.8 | -171.3 | 160.5 | 0 | 0 | 106.7 | H95 | H95-E97 PolarHBondContact CE1-O 2.97Š|
| 98 | D | 39 | Very low | 52.3 | Low | 166 Ų | 166 | 138.1 Ų | 138.1 | 89% | 0.888 | 76% | 0.76 | S | S | * | * | | | trans | -128.7 | 91 | 145.4 | -109.6 | -17 | 0 | 0 | 0 | 106.3 | L100 | D98-L100 PolarHBondContact O-N 3.42Š|
| 99 | T | 46.4 | Very low | 51.6 | Low | 112 Ų | 112 | 139.7 Ų | 139.7 | 69% | 0.687 | 76% | 0.763 | S | S | * | * | | | trans | -48.5 | 120.3 | 173.5 | 36.1 | 0 | 0 | 0 | 0 | 110.9 | T101 | T99-T101 VanDerWaalsContact C-N 3.26Å; T99-T101 PolarHBondContact O-N 3.11Å |
| 100 | L | 55.8 | Low | 50.9 | Low | 168 Ų | 168 | 138.6 Ų | 138.6 | 88% | 0.88 | 77% | 0.766 | S | S | * | * | | | trans | -55.8 | 87.5 | 158.4 | -86.9 | 157.3 | 0 | 0 | 0 | 109.7 | D98 L102 | D98-L100 PolarHBondContact O-N 3.42Å; L100-L102 PolarHBondContact O-N 2.92Å |
| 101 | T | 43.7 | Very low | 50 | Low | 119 Ų | 119 | 137.7 Ų | 137.7 | 73% | 0.73 | 76% | 0.764 | S | S | * | * | | | trans | -86.5 | 92.3 | 160 | 25.2 | 0 | 0 | 0 | 0 | 109 | T99 R103 | T99-T101 VanDerWaalsContact C-N 3.26Å; T99-T101 PolarHBondContact O-N 3.11Å; T101-R103 PolarHBondContact O-N 3.29Å |
| 102 | L | 48.8 | Very low | 49.9 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 80% | 0.801 | 77% | 0.767 | S | S | * | * | | | trans | -53.5 | 107.8 | 149.3 | -91.1 | 97.5 | 0 | 0 | 0 | 108 | L100 | L100-L102 PolarHBondContact O-N 2.92Š|
| 103 | R | 44.2 | Very low | 49.6 | Very low | 229 Ų | 229 | 141.6 Ų | 141.6 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -123.7 | 103.2 | 151.8 | -94.5 | -170.8 | 175.3 | 179 | -0 | 108.3 | T101 S105 | T101-R103 PolarHBondContact O-N 3.29Å; R103-S105 PolarHBondContact O-N 3.19Å |
| 104 | T | 50 | Low | 49.6 | Very low | 132 Ų | 132 | 139.3 Ų | 139.3 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | | | trans | -48.3 | 112.6 | 149.8 | 46.8 | 0 | 0 | 0 | 0 | 108.7 | | |
| 105 | S | 40.3 | Very low | 49.6 | Very low | 102 Ų | 102 | 139.3 Ų | 139.3 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | | | trans | -130.6 | 76.1 | 157.5 | -159.8 | 0 | 0 | 0 | 0 | 107.1 | R103 D107 | R103-S105 PolarHBondContact O-N 3.19Å; S105-D107 PolarHBondContact O-N 3.06Å |
| 106 | T | 52.1 | Low | 49.9 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | | | trans | -38.1 | 122.3 | 140 | -55.8 | 0 | 0 | 0 | 0 | 107.9 | | |
| 107 | D | 46.1 | Very low | 49.6 | Very low | 138 Ų | 138 | 141 Ų | 141 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | | | trans | 168 | 71 | 144.2 | -80.5 | -17.4 | 0 | 0 | 0 | 111.2 | S105 | S105-D107 PolarHBondContact O-N 3.06Š|
| 108 | N | 55.8 | Low | 49.8 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | | | trans | 175.9 | 54.7 | 159.8 | 38.5 | -2.9 | 0 | 0 | 0 | 112.5 | | |
| 109 | L | 45 | Very low | 50.1 | Low | 171 Ų | 171 | 138.8 Ų | 138.8 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | | | trans | -95.6 | 87.8 | 152 | -70 | 175.8 | 0 | 0 | 0 | 107.6 | S111 | L109-S111 PolarHBondContact O-N 3.35Š|
| 110 | S | 39.8 | Very low | 50 | Low | 114 Ų | 114 | 140.2 Ų | 140.2 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | -85.2 | 92.7 | 159.8 | -166.7 | 0 | 0 | 0 | 0 | 107.5 | N112 | S110-N112 PolarHBondContact O-N 3.24Š|
| 111 | S | 42.4 | Very low | 49.9 | Very low | 88 Ų | 88 | 137.3 Ų | 137.3 | 62% | 0.615 | 76% | 0.761 | S | S | * | * | | | trans | -58.2 | 125.5 | 169.2 | -56.2 | 0 | 0 | 0 | 0 | 110.6 | L109 | L109-S111 PolarHBondContact O-N 3.35Š|
| 112 | N | 55.4 | Low | 50.5 | Low | 145 Ų | 145 | 138.8 Ų | 138.8 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | | | trans | -146.7 | 85.9 | 149.4 | -72.6 | -37.1 | 0 | 0 | 0 | 104.2 | S110 | S110-N112 PolarHBondContact O-N 3.24Š|
| 113 | I | 52.7 | Low | 50.8 | Low | 147 Ų | 147 | 138.7 Ų | 138.7 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | | | | -154.7 | 121.9 | 91.6 | -77.4 | 148.8 | 0 | 0 | 0 | 107.1 | I115 | I113-I115 HydrophobicContact CG2-CG1 3.88Å; I113-I115 PolarHBondContact O-N 3.44Å |
| 114 | I | 54.7 | Low | 51.4 | Low | 133 Ų | 133 | 135.7 Ų | 135.7 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | | | trans | -72.5 | 109 | 169.9 | -63.9 | 166.6 | 0 | 0 | 0 | 106.8 | | |
| 115 | I | 59.6 | Low | 51.7 | Low | 149 Ų | 149 | 138.5 Ų | 138.5 | 76% | 0.764 | 77% | 0.765 | S | S | * | * | | | trans | -97.5 | 108.5 | 164.1 | -57.5 | 179.8 | 0 | 0 | 0 | 106 | I113 | I113-I115 HydrophobicContact CG2-CG1 3.88Å; I113-I115 PolarHBondContact O-N 3.44Å |
| 116 | H | 59.6 | Low | 52.5 | Low | 147 Ų | 147 | 139.2 Ų | 139.2 | 68% | 0.681 | 76% | 0.761 | S | S | * | * | | | trans | -61.1 | 134.4 | 179.5 | -59.8 | -87.4 | 0 | 0 | 0 | 111 | S118 | H116-S118 PolarHBondContact O-N 3.26Š|
| 117 | P | 56.6 | Low | 52.7 | Low | 133 Ų | 133 | 144 Ų | 144 | 86% | 0.864 | 77% | 0.767 | S | S | * | * | | | trans | -91.2 | 82.9 | 168.2 | 33.5 | -27.4 | 0 | 0 | 0 | 109.3 | | |
| 118 | S | 57 | Low | 53.4 | Low | 98 Ų | 98 | 144.3 Ų | 144.3 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | | | trans | -173.2 | 126 | 173.3 | -145.5 | 0 | 0 | 0 | 0 | 106.5 | H116 | H116-S118 PolarHBondContact O-N 3.26Š|
| 119 | E | 45.3 | Very low | 53.6 | Low | 163 Ų | 163 | 142.4 Ų | 142.4 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | cis | -157.5 | 141.1 | 39.5 | -77.6 | 169.5 | 134.2 | 0 | 0 | 109.5 | | |
| 120 | N | 45.8 | Very low | 54.1 | Low | 143 Ų | 143 | 142.9 Ų | 142.9 | 77% | 0.765 | 75% | 0.754 | S | S | * | * | | | trans | 56.4 | 116.6 | 145.1 | -57.6 | -42.1 | 0 | 0 | 0 | 122.6 | | |
| 121 | S | 52.6 | Low | 55.1 | Low | 106 Ų | 106 | 146.8 Ų | 146.8 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | | | trans | 75.4 | 122.4 | 136.8 | 64.7 | 0 | 0 | 0 | 0 | 122.6 | | |
| 122 | D | 57.7 | Low | 55.8 | Low | 150 Ų | 150 | 152 Ų | 152 | 80% | 0.802 | 76% | 0.759 | S | S | * | * | | | trans | 60.8 | 84.7 | 143.2 | -69.9 | -21.5 | 0 | 0 | 0 | 120.7 | | |
| 123 | I | 54.3 | Low | 55.9 | Low | 152 Ų | 152 | 154.3 Ų | 154.3 | 78% | 0.779 | 76% | 0.762 | S | S | * | * | | | trans | -138.2 | 63.3 | 145.2 | -48.9 | 175.8 | 0 | 0 | 0 | 109.9 | K125 | I123-K125 PolarHBondContact O-N 3.28Š|
| 124 | L | 56.9 | Low | 56.4 | Low | 166 Ų | 166 | 153.5 Ų | 153.5 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | | | trans | -75.1 | 47.4 | 160.7 | -167.6 | 97.5 | 0 | 0 | 0 | 110.6 | | |
| 125 | K | 56 | Low | 56.2 | Low | 190 Ų | 190 | 153.2 Ų | 153.2 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | | | trans | -153.8 | 72.5 | 177.4 | -67.7 | -158.9 | -178.1 | -163.6 | 0 | 112.2 | I123 | I123-K125 PolarHBondContact O-N 3.28Š|
| 126 | N | 57.2 | Low | 56.2 | Low | 118 Ų | 118 | 152.8 Ų | 152.8 | 63% | 0.631 | 77% | 0.77 | S | S | * | * | | | trans | -155.4 | 56.6 | 154.2 | -150.5 | -27 | 0 | 0 | 0 | 113.2 | | |
| 127 | Y | 56.8 | Low | 56.5 | Low | 218 Ų | 218 | 149.5 Ų | 149.5 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | | | trans | -109.7 | 65.7 | 161.5 | -71.1 | -79 | 0 | 0 | 0 | 108.8 | | |
| 128 | N | 59.5 | Low | 56.6 | Low | 144 Ų | 144 | 148.8 Ų | 148.8 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | | | trans | -161.8 | 65.9 | 165.9 | -124.3 | -13.8 | 0 | 0 | 0 | 113.8 | | |
| 129 | N | 60.1 | Low | 56.9 | Low | 115 Ų | 115 | 150.6 Ų | 150.6 | 62% | 0.615 | 77% | 0.773 | S | S | * | * | | | trans | -136 | 35.4 | 169.7 | -97 | -43.4 | 0 | 0 | 0 | 112.6 | | |
| 130 | F | 56.4 | Low | 57.5 | Low | 181 Ų | 181 | 149.9 Ų | 149.9 | 79% | 0.794 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -90.5 | 0.9 | 178.8 | -79.1 | -71 | 0 | 0 | 0 | 115.3 | | |
| 131 | Y | 59.5 | Low | 57.7 | Low | 197 Ų | 197 | 148 Ų | 148 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -134.2 | 83.3 | 176.3 | -76.2 | -84.3 | 0 | 0 | 0 | 111.2 | L134 | Y131-L134 HydrophobicContact CD1-CD1 4.13Å; Y131-L134 HydrophobicContact CD1-CG 4.48Å; Y131-L134 HydrophobicContact CE1-CD1 4.49Å |
| 132 | R | 57.6 | Low | 57.4 | Low | 198 Ų | 198 | 151 Ų | 151 | 75% | 0.747 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -124.6 | 11.5 | 170.8 | -137.6 | 176.3 | 170.3 | -138.8 | -4.1 | 115.2 | | |
| 133 | F | 58.9 | Low | 57 | Low | 193 Ų | 193 | 148.8 Ų | 148.8 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | trans | -145 | 80.1 | 173.7 | -55.9 | -72.7 | 0 | 0 | 0 | 110.8 | | |
| 134 | L | 63 | Low | 56.6 | Low | 130 Ų | 130 | 150 Ų | 150 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | | | trans | -112.6 | 130.2 | 156 | -69.9 | 175.4 | 0 | 0 | 0 | 107.6 | Y131 T136 | Y131-L134 HydrophobicContact CD1-CD1 4.13Å; Y131-L134 HydrophobicContact CD1-CG 4.48Å; Y131-L134 HydrophobicContact CE1-CD1 4.49Å; L134-T136 PolarHBondContact O-N 3.32Å |
| 135 | P | 50.5 | Low | 56.2 | Low | 127 Ų | 127 | 145.8 Ų | 145.8 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 121.8 | 176.8 | -12.2 | 26.1 | 0 | 0 | 0 | 109.8 | A137 | P135-A137 PolarHBondContact O-N 3.5Š|
| 136 | T | 59.4 | Low | 55.7 | Low | 139 Ų | 139 | 144.7 Ų | 144.7 | 85% | 0.853 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 118.8 | 172.1 | -47.8 | 0 | 0 | 0 | 0 | 109.1 | L134 | L134-T136 PolarHBondContact O-N 3.32Š|
| 137 | A | 64.5 | Low | 55.3 | Low | 79 Ų | 79 | 144.5 Ų | 144.5 | 65% | 0.653 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 143 | 170 | 0 | 0 | 0 | 0 | 0 | 110.2 | P135 | P135-A137 PolarHBondContact O-N 3.5Š|
| 138 | P | 60.6 | Low | 55 | Low | 117 Ų | 117 | 140.3 Ų | 140.3 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 134.8 | -178.2 | 26.3 | -31.5 | 0 | 0 | 0 | 110.4 | N140 | P138-N140 PolarHBondContact O-N 3.36Å; P138-N140 VanDerWaalsContact O-N 3.16Å |
| 139 | P | 62.3 | Low | 54.8 | Low | 136 Ų | 136 | 140.4 Ų | 140.4 | 88% | 0.883 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 118.4 | -179.4 | 25.4 | -31.7 | 0 | 0 | 0 | 110.5 | | |
| 140 | N | 58.1 | Low | 54.5 | Low | 149 Ų | 149 | 146 Ų | 146 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 125.1 | 170.5 | -167.4 | 22.6 | 0 | 0 | 0 | 109.4 | P138 | P138-N140 PolarHBondContact O-N 3.36Å; P138-N140 VanDerWaalsContact O-N 3.16Å |
| 141 | V | 49.6 | Very low | 54.4 | Low | 103 Ų | 103 | 144.3 Ų | 144.3 | 62% | 0.624 | 79% | 0.791 | S | S | * | * | | | trans | 69.9 | 125 | 160.7 | -130.8 | 0 | 0 | 0 | 0 | 122.2 | | |
| 142 | M | 45.9 | Very low | 54.1 | Low | 169 Ų | 169 | 141.5 Ų | 141.5 | 83% | 0.833 | 79% | 0.792 | S | S | * | * | | | | 118.3 | 112.4 | 118.6 | -118 | 144.4 | 73.1 | 0 | 0 | 120.5 | | |
| 143 | S | 50.2 | Low | 53.9 | Low | 104 Ų | 104 | 138.3 Ų | 138.3 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | | | | 44.6 | 121.7 | 129.7 | -170.4 | 0 | 0 | 0 | 0 | 121.5 | | |
| 144 | Q | 46.5 | Very low | 53.6 | Low | 177 Ų | 177 | 135.1 Ų | 135.1 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | | | | 170.1 | 130.5 | 94.7 | -175 | 164 | -11 | 0 | 0 | 112.8 | | |
| 145 | A | 48.5 | Very low | 53 | Low | 77 Ų | 77 | 135.4 Ų | 135.4 | 64% | 0.636 | 80% | 0.798 | S | S | * | * | | | trans | 42.8 | 119.9 | 154.1 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 146 | D | 45.2 | Very low | 53.2 | Low | 168 Ų | 168 | 136 Ų | 136 | 90% | 0.898 | 80% | 0.796 | S | S | * | * | | | trans | -138.9 | 116.2 | 133.3 | -114.6 | -19.5 | 0 | 0 | 0 | 109.9 | | |
| 147 | T | 47.4 | Very low | 52.7 | Low | 113 Ų | 113 | 135.8 Ų | 135.8 | 69% | 0.693 | 79% | 0.792 | S | S | * | * | | | trans | -82.2 | 120.5 | 172.9 | -67.1 | 0 | 0 | 0 | 0 | 108.2 | I149 | T147-I149 HydrophobicContact CG2-CD1 4.39Å; T147-I149 HydrophobicContact CG2-CG1 3.97Å |
| 148 | V | 52.1 | Low | 51.8 | Low | 130 Ų | 130 | 140.2 Ų | 140.2 | 79% | 0.788 | 80% | 0.803 | S | S | * | * | | | trans | -127 | 109.1 | 157.2 | -176 | 0 | 0 | 0 | 0 | 107.6 | | |
| 149 | I | 55.3 | Low | 51.1 | Low | 147 Ų | 147 | 142.1 Ų | 142.1 | 75% | 0.754 | 81% | 0.806 | S | S | * | * | | | trans | -86.4 | 128.4 | 168.7 | -62.7 | 178.9 | 0 | 0 | 0 | 107.3 | T147 | T147-I149 HydrophobicContact CG2-CD1 4.39Å; T147-I149 HydrophobicContact CG2-CG1 3.97Å |
| 150 | L | 52.1 | Low | 50.1 | Low | 232 Ų | 232 | 142.6 Ų | 142.6 | 100% | 1.215 | 80% | 0.799 | S | S | * | * | | | trans | -135.1 | 0 | 153.1 | -85.5 | 173.2 | 0 | 0 | 0 | 108.4 | | |