| 1 | M | 62.6 | Low | 88.7 | Confident | 187 Ų | 187 | 102.6 Ų | 102.6 | 92% | 0.921 | 54% | 0.541 | S | S | * | . | | | | 0 | 67.4 | 0 | -81.7 | -103.1 | -78.8 | 0 | 0 | 109.6 | L4 | M1-L4 HydrophobicContact CE-CB 4.32Å; M1-L4 HydrophobicContact CE-CD2 3.75Å |
| 2 | Q | 83.4 | Confident | 88.9 | Confident | 118 Ų | 118 | 99.7 Ų | 99.7 | 55% | 0.551 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.8 | -40.2 | -177.2 | -171.3 | 61.1 | 53.7 | 0 | 0 | 111.9 | L4 Q5 N6 | Q2-L4 VanDerWaalsContact C-N 3.3Å; Q2-L4 PolarHBondContact O-N 2.61Å; Q2-Q5 PolarHBondContact O-N 3.28Å; Q2-Q5 VanDerWaalsContact O-N 3.11Å; Q2-N6 PolarHBondContact NE2-OD1 3.49Å; Q2-N6 PolarHBondContact O-N 3.46Å; Q2-N6 PolarHBondContact O-OD1 2.92Å |
| 3 | T | 87.4 | Confident | 89.1 | Confident | 110 Ų | 110 | 99.2 Ų | 99.2 | 68% | 0.675 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -56.4 | -40.5 | -176.3 | -40.2 | 0 | 0 | 0 | 0 | 113.2 | N6 V7 | T3-N6 PolarHBondContact O-N 3.44Å; T3-V7 WeakPolarHBondContact O-CG2 3.47Å; T3-V7 PolarHBondContact O-N 3.4Å |
| 4 | L | 90.3 | Very high | 89.4 | Confident | 97 Ų | 97 | 98.6 Ų | 98.6 | 51% | 0.508 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -41.1 | 179.4 | -176.2 | 61.4 | 0 | 0 | 0 | 111.7 | M1 Q2 V7 S8 | M1-L4 HydrophobicContact CE-CB 4.32Å; M1-L4 HydrophobicContact CE-CD2 3.75Å; Q2-L4 VanDerWaalsContact C-N 3.3Å; Q2-L4 PolarHBondContact O-N 2.61Å; L4-V7 PolarHBondContact O-N 3.14Å; L4-S8 PolarHBondContact O-N 2.73Å; L4-S8 PolarHBondContact O-OG 2.99Å |
| 5 | Q | 90.4 | Very high | 89.4 | Confident | 125 Ų | 125 | 96.9 Ų | 96.9 | 58% | 0.584 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.5 | -42.2 | 176.1 | -68.5 | 177.6 | -28.8 | 0 | 0 | 111.4 | Q2 V7 S8 M9 | Q2-Q5 PolarHBondContact O-N 3.28Å; Q2-Q5 VanDerWaalsContact O-N 3.11Å; Q5-V7 PolarHBondContact O-N 3.34Å; Q5-S8 PolarHBondContact O-N 3.3Å; Q5-M9 WeakPolarHBondContact O-CB 3.36Å; Q5-M9 PolarHBondContact O-N 2.95Å |
| 6 | N | 90.9 | Very high | 89.2 | Confident | 78 Ų | 78 | 97.4 Ų | 97.4 | 42% | 0.417 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62 | -42 | 176.3 | -64.5 | 12 | 0 | 0 | 0 | 111.7 | Q2 T3 M9 V10 | Q2-N6 PolarHBondContact NE2-OD1 3.49Å; Q2-N6 PolarHBondContact O-N 3.46Å; Q2-N6 PolarHBondContact O-OD1 2.92Å; T3-N6 PolarHBondContact O-N 3.44Å; N6-M9 PolarHBondContact O-N 3.21Å; N6-V10 WeakPolarHBondContact O-CG2 3.27Å; N6-V10 PolarHBondContact O-N 3.19Å; N6-V10 VanDerWaalsContact O-N 3.09Å |
| 7 | V | 92.1 | Very high | 89.2 | Confident | 67 Ų | 67 | 98.6 Ų | 98.6 | 41% | 0.406 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.3 | -47.4 | 176 | 169.5 | 0 | 0 | 0 | 0 | 111 | T3 L4 Q5 M9 V10 Q11 | T3-V7 WeakPolarHBondContact O-CG2 3.47Å; T3-V7 PolarHBondContact O-N 3.4Å; L4-V7 PolarHBondContact O-N 3.14Å; Q5-V7 PolarHBondContact O-N 3.34Å; V7-M9 VanDerWaalsContact C-N 3.33Å; V7-M9 PolarHBondContact O-N 3.21Å; V7-V10 PolarHBondContact O-N 3.46Å; V7-Q11 HydrophobicContact CG1-CG 4.41Å; V7-Q11 WeakPolarHBondContact O-CB 3.4Å; V7-Q11 VanDerWaalsContact O-CG 3.25Å; V7-Q11 WeakPolarHBondContact O-CG 3.32Å; V7-Q11 PolarHBondContact O-N 3.4Å |
| 8 | S | 92.8 | Very high | 89.1 | Confident | 60 Ų | 60 | 99.1 Ų | 99.1 | 42% | 0.42 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -37.7 | 178 | -61.4 | 0 | 0 | 0 | 0 | 113 | L4 Q5 Q11 S12 | L4-S8 PolarHBondContact O-N 2.73Å; L4-S8 PolarHBondContact O-OG 2.99Å; Q5-S8 PolarHBondContact O-N 3.3Å; S8-Q11 PolarHBondContact O-N 3.21Å; S8-S12 PolarHBondContact O-N 3.06Å; S8-S12 PolarHBondContact O-OG 2.64Å |
| 9 | M | 94.9 | Very high | 88.5 | Confident | 101 Ų | 101 | 99.4 Ų | 99.4 | 50% | 0.498 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -53.5 | 176.8 | -170.3 | -178.6 | 80.9 | 0 | 0 | 111.2 | Q5 N6 V7 Q11 S12 E13 | Q5-M9 WeakPolarHBondContact O-CB 3.36Å; Q5-M9 PolarHBondContact O-N 2.95Å; N6-M9 PolarHBondContact O-N 3.21Å; V7-M9 VanDerWaalsContact C-N 3.33Å; V7-M9 PolarHBondContact O-N 3.21Å; M9-Q11 VanDerWaalsContact C-N 3.29Å; M9-Q11 PolarHBondContact O-N 3.12Å; M9-S12 WeakPolarHBondContact O-CA 3.45Å; M9-S12 PolarHBondContact O-N 2.99Å; M9-S12 PolarHBondContact O-OG 3.33Å; M9-E13 WeakPolarHBondContact CG-OE1 3.23Å; M9-E13 PolarHBondContact O-N 3.43Å |
| 10 | V | 95.2 | Very high | 87.3 | Confident | 72 Ų | 72 | 100.2 Ų | 100.2 | 44% | 0.436 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60 | -39.2 | 177.5 | 172 | 0 | 0 | 0 | 0 | 111.7 | N6 V7 S12 E13 I14 | N6-V10 WeakPolarHBondContact O-CG2 3.27Å; N6-V10 PolarHBondContact O-N 3.19Å; N6-V10 VanDerWaalsContact O-N 3.09Å; V7-V10 PolarHBondContact O-N 3.46Å; V10-S12 VanDerWaalsContact C-N 3.33Å; V10-S12 PolarHBondContact O-N 3.08Å; V10-E13 PolarHBondContact O-N 3.05Å; V10-I14 HydrophobicContact CG1-CD1 3.8Å; V10-I14 WeakPolarHBondContact O-CD1 3.39Å; V10-I14 VanDerWaalsContact O-CG1 3.26Å; V10-I14 WeakPolarHBondContact O-CG1 3.36Å; V10-I14 PolarHBondContact O-N 3.1Å |
| 11 | Q | 95.3 | Very high | 85.9 | Confident | 114 Ų | 114 | 98.8 Ų | 98.8 | 53% | 0.533 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 174.3 | -75.8 | 173.4 | -24.9 | 0 | 0 | 112.3 | V7 S8 M9 S15 | V7-Q11 HydrophobicContact CG1-CG 4.41Å; V7-Q11 WeakPolarHBondContact O-CB 3.4Å; V7-Q11 VanDerWaalsContact O-CG 3.25Å; V7-Q11 WeakPolarHBondContact O-CG 3.32Å; V7-Q11 PolarHBondContact O-N 3.4Å; S8-Q11 PolarHBondContact O-N 3.21Å; M9-Q11 VanDerWaalsContact C-N 3.29Å; M9-Q11 PolarHBondContact O-N 3.12Å; Q11-S15 WeakPolarHBondContact O-CB 3.3Å; Q11-S15 PolarHBondContact O-N 3.47Å; Q11-S15 PolarHBondContact O-OG 3.49Å |
| 12 | S | 91.9 | Very high | 85.7 | Confident | 67 Ų | 67 | 95.1 Ų | 95.1 | 47% | 0.469 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -70.1 | -40.8 | 177.5 | 67.6 | 0 | 0 | 0 | 0 | 112.8 | S8 M9 V10 S15 E16 | S8-S12 PolarHBondContact O-N 3.06Å; S8-S12 PolarHBondContact O-OG 2.64Å; M9-S12 WeakPolarHBondContact O-CA 3.45Å; M9-S12 PolarHBondContact O-N 2.99Å; M9-S12 PolarHBondContact O-OG 3.33Å; V10-S12 VanDerWaalsContact C-N 3.33Å; V10-S12 PolarHBondContact O-N 3.08Å; S12-S15 PolarHBondContact O-N 3.05Å; S12-E16 WeakPolarHBondContact O-CB 3.31Å; S12-E16 PolarHBondContact O-N 3.26Å |
| 13 | E | 91.5 | Very high | 84.5 | Confident | 94 Ų | 94 | 94.2 Ų | 94.2 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 175.1 | -69.9 | 171.6 | -144.7 | 0 | 0 | 111.6 | M9 V10 S15 E16 I17 | M9-E13 WeakPolarHBondContact CG-OE1 3.23Å; M9-E13 PolarHBondContact O-N 3.43Å; V10-E13 PolarHBondContact O-N 3.05Å; E13-S15 VanDerWaalsContact C-N 3.32Å; E13-S15 PolarHBondContact O-N 3.22Å; E13-E16 PolarHBondContact O-N 2.86Å; E13-I17 WeakPolarHBondContact O-CG1 3.37Å; E13-I17 PolarHBondContact O-N 3.43Å |
| 14 | I | 92.6 | Very high | 83 | Confident | 90 Ų | 90 | 95.1 Ų | 95.1 | 46% | 0.462 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60 | -44.1 | 175.4 | -68.7 | 166.3 | 0 | 0 | 0 | 110.6 | V10 E16 I17 L18 | V10-I14 HydrophobicContact CG1-CD1 3.8Å; V10-I14 WeakPolarHBondContact O-CD1 3.39Å; V10-I14 VanDerWaalsContact O-CG1 3.26Å; V10-I14 WeakPolarHBondContact O-CG1 3.36Å; V10-I14 PolarHBondContact O-N 3.1Å; I14-E16 VanDerWaalsContact C-N 3.34Å; I14-E16 PolarHBondContact O-N 3.05Å; I14-I17 PolarHBondContact O-N 3.06Å; I14-L18 HydrophobicContact CG2-CD1 3.84Å; I14-L18 VanDerWaalsContact O-CG 3.3Å; I14-L18 WeakPolarHBondContact O-CG 3.26Å; I14-L18 PolarHBondContact O-N 3.49Å; I14-L18 VanDerWaalsContact O-N 3.1Å |
| 15 | S | 89.1 | Confident | 81.2 | Confident | 74 Ų | 74 | 96 Ų | 96 | 52% | 0.517 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -38.4 | 179 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | Q11 S12 E13 N19 | Q11-S15 WeakPolarHBondContact O-CB 3.3Å; Q11-S15 PolarHBondContact O-N 3.47Å; Q11-S15 PolarHBondContact O-OG 3.49Å; S12-S15 PolarHBondContact O-N 3.05Å; E13-S15 VanDerWaalsContact C-N 3.32Å; E13-S15 PolarHBondContact O-N 3.22Å; S15-N19 WeakPolarHBondContact O-CB 3.14Å; S15-N19 PolarHBondContact O-N 2.96Å |
| 16 | E | 87.4 | Confident | 79.7 | Confident | 105 Ų | 105 | 98.1 Ų | 98.1 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 178.1 | -179.2 | 167.2 | -171.8 | 0 | 0 | 111.8 | S12 E13 I14 N19 K20 | S12-E16 WeakPolarHBondContact O-CB 3.31Å; S12-E16 PolarHBondContact O-N 3.26Å; E13-E16 PolarHBondContact O-N 2.86Å; I14-E16 VanDerWaalsContact C-N 3.34Å; I14-E16 PolarHBondContact O-N 3.05Å; E16-N19 PolarHBondContact O-N 2.96Å; E16-K20 HydrophobicContact CG-CD 4.38Å; E16-K20 WeakPolarHBondContact O-CG 2.96Å; E16-K20 PolarHBondContact O-N 3.49Å; E16-K20 WeakPolarHBondContact OE1-CE 3.39Å; E16-K20 IonicContact OE1-NZ 3.72Å; E16-K20 PolarHBondContact OE1-NZ 3.32Å |
| 17 | I | 88.8 | Confident | 78.1 | Confident | 118 Ų | 118 | 97.7 Ų | 97.7 | 61% | 0.605 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.2 | -49.8 | 176.8 | -67.4 | 164 | 0 | 0 | 0 | 110.7 | E13 I14 S21 | E13-I17 WeakPolarHBondContact O-CG1 3.37Å; E13-I17 PolarHBondContact O-N 3.43Å; I14-I17 PolarHBondContact O-N 3.06Å; I17-S21 VanDerWaalsContact O-CB 3.23Å; I17-S21 WeakPolarHBondContact O-CB 3.47Å; I17-S21 PolarHBondContact O-N 3.46Å |
| 18 | L | 86.4 | Confident | 76.6 | Confident | 106 Ų | 106 | 99.3 Ų | 99.3 | 56% | 0.555 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -66.1 | -40.5 | -177.8 | -67 | 173.5 | 0 | 0 | 0 | 112 | I14 I22 | I14-L18 HydrophobicContact CG2-CD1 3.84Å; I14-L18 VanDerWaalsContact O-CG 3.3Å; I14-L18 WeakPolarHBondContact O-CG 3.26Å; I14-L18 PolarHBondContact O-N 3.49Å; I14-L18 VanDerWaalsContact O-N 3.1Å; L18-I22 WeakPolarHBondContact O-CD1 3.42Å; L18-I22 VanDerWaalsContact O-CG1 3.31Å; L18-I22 WeakPolarHBondContact O-CG1 3.36Å; L18-I22 PolarHBondContact O-N 3.46Å |
| 19 | N | 77.8 | Confident | 75 | Confident | 106 Ų | 106 | 104.4 Ų | 104.4 | 57% | 0.567 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -70.9 | -36.1 | -178.7 | -168.1 | 27.6 | 0 | 0 | 0 | 112.8 | S15 E16 | S15-N19 WeakPolarHBondContact O-CB 3.14Å; S15-N19 PolarHBondContact O-N 2.96Å; E16-N19 PolarHBondContact O-N 2.96Å |
| 20 | K | 64.8 | Low | 73 | Confident | 115 Ų | 115 | 107.2 Ų | 107.2 | 50% | 0.5 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -73.1 | -43.8 | 175.3 | -66.7 | -170 | -153.3 | -159.5 | 0 | 112.6 | E16 I22 I23 E24 | E16-K20 HydrophobicContact CG-CD 4.38Å; E16-K20 WeakPolarHBondContact O-CG 2.96Å; E16-K20 PolarHBondContact O-N 3.49Å; E16-K20 WeakPolarHBondContact OE1-CE 3.39Å; E16-K20 IonicContact OE1-NZ 3.72Å; E16-K20 PolarHBondContact OE1-NZ 3.32Å; K20-I22 PolarHBondContact O-N 2.7Å; K20-I23 PolarHBondContact O-N 3.25Å; K20-I23 VanDerWaalsContact O-N 3.12Å; K20-E24 WeakPolarHBondContact O-CB 3.5Å; K20-E24 PolarHBondContact O-N 3.04Å |
| 21 | S | 57.3 | Low | 71.2 | Confident | 70 Ų | 70 | 108.5 Ų | 108.5 | 49% | 0.49 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.7 | -27.7 | -176.7 | -171.3 | 0 | 0 | 0 | 0 | 113.4 | I17 V25 | I17-S21 VanDerWaalsContact O-CB 3.23Å; I17-S21 WeakPolarHBondContact O-CB 3.47Å; I17-S21 PolarHBondContact O-N 3.46Å; S21-V25 VanDerWaalsContact O-CG2 3.27Å; S21-V25 WeakPolarHBondContact O-CG2 3.47Å |
| 22 | I | 58.4 | Low | 69.5 | Low | 111 Ų | 111 | 107.2 Ų | 107.2 | 57% | 0.569 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -72.5 | -44.6 | 175 | -67.1 | 165.3 | 0 | 0 | 0 | 111.2 | L18 K20 | L18-I22 WeakPolarHBondContact O-CD1 3.42Å; L18-I22 VanDerWaalsContact O-CG1 3.31Å; L18-I22 WeakPolarHBondContact O-CG1 3.36Å; L18-I22 PolarHBondContact O-N 3.46Å; K20-I22 PolarHBondContact O-N 2.7Å |
| 23 | I | 58.8 | Low | 67.7 | Low | 99 Ų | 99 | 112.7 Ų | 112.7 | 51% | 0.508 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -77.4 | -37.3 | -173.8 | -59.2 | 173.4 | 0 | 0 | 0 | 111.8 | K20 N27 | K20-I23 PolarHBondContact O-N 3.25Å; K20-I23 VanDerWaalsContact O-N 3.12Å; I23-N27 PolarHBondContact O-N 2.98Å |
| 24 | E | 55.4 | Low | 65.9 | Low | 128 Ų | 128 | 117.6 Ų | 117.6 | 60% | 0.598 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -74.3 | -26.3 | -175 | -169.6 | 166.7 | -161.1 | 0 | 0 | 113.5 | K20 | K20-E24 WeakPolarHBondContact O-CB 3.5Å; K20-E24 PolarHBondContact O-N 3.04Å |
| 25 | V | 54.4 | Low | 64.1 | Low | 117 Ų | 117 | 121.5 Ų | 121.5 | 71% | 0.709 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -87.5 | -30.4 | 179.6 | -179.3 | 0 | 0 | 0 | 0 | 112.3 | S21 | S21-V25 VanDerWaalsContact O-CG2 3.27Å; S21-V25 WeakPolarHBondContact O-CG2 3.47Å |
| 26 | E | 58.4 | Low | 62 | Low | 168 Ų | 168 | 125.5 Ų | 125.5 | 79% | 0.785 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -82.1 | -25.3 | 179.4 | -165.6 | 165 | -155 | 0 | 0 | 112.9 | | |
| 27 | N | 57.8 | Low | 59.6 | Low | 69 Ų | 69 | 126.2 Ų | 126.2 | 37% | 0.369 | 66% | 0.661 | S | S | . | * | | | trans | -151.2 | 97.8 | 171.4 | -164.6 | -17.9 | 0 | 0 | 0 | 114.6 | I23 Q29 F30 | I23-N27 PolarHBondContact O-N 2.98Å; N27-Q29 PolarHBondContact O-N 3Å; N27-Q29 VanDerWaalsContact O-N 3.08Å; N27-Q29 PolarHBondContact OD1-N 3.09Å; N27-F30 HydrophobicContact CB-CD2 4.36Å; N27-F30 VanDerWaalsContact ND2-CD2 3.32Å; N27-F30 WeakPolarHBondContact ND2-CD2 3.36Å; N27-F30 WeakPolarHBondContact ND2-CE2 3.35Å; N27-F30 PolarHBondContact O-N 2.98Å |
| 28 | P | 59.5 | Low | 57.5 | Low | 101 Ų | 101 | 131.1 Ų | 131.1 | 66% | 0.656 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -62.5 | -15.5 | -179.3 | -25.2 | 35.1 | 0 | 0 | 0 | 116.1 | | |
| 29 | Q | 58.8 | Low | 55.6 | Low | 167 Ų | 167 | 128.8 Ų | 128.8 | 78% | 0.78 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -79.1 | -13.2 | -176.6 | -106.5 | -175.7 | -5 | 0 | 0 | 114.5 | N27 | N27-Q29 PolarHBondContact O-N 3Å; N27-Q29 VanDerWaalsContact O-N 3.08Å; N27-Q29 PolarHBondContact OD1-N 3.09Å |
| 30 | F | 53.8 | Low | 53.8 | Low | 161 Ų | 161 | 130.2 Ų | 130.2 | 71% | 0.706 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -96.7 | 17.9 | -173.4 | -84.1 | -93.8 | 0 | 0 | 0 | 115.1 | N27 S32 | N27-F30 HydrophobicContact CB-CD2 4.36Å; N27-F30 VanDerWaalsContact ND2-CD2 3.32Å; N27-F30 WeakPolarHBondContact ND2-CD2 3.36Å; N27-F30 WeakPolarHBondContact ND2-CE2 3.35Å; N27-F30 PolarHBondContact O-N 2.98Å; F30-S32 VanDerWaalsContact C-N 3.28Å |
| 31 | S | 57.1 | Low | 53.1 | Low | 98 Ų | 98 | 136.1 Ų | 136.1 | 69% | 0.685 | 71% | 0.712 | S | S | * | * | G | 310 helix | trans | -82.2 | -3.2 | 171.8 | 58 | 0 | 0 | 0 | 0 | 113.8 | | |
| 32 | S | 58.9 | Low | 52.4 | Low | 88 Ų | 88 | 140 Ų | 140 | 62% | 0.615 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -70.3 | 132.8 | 167.8 | -170.8 | 0 | 0 | 0 | 0 | 110.9 | F30 | F30-S32 VanDerWaalsContact C-N 3.28Š|
| 33 | E | 53.6 | Low | 51.9 | Low | 182 Ų | 182 | 143 Ų | 143 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 66.5 | 79.6 | 169.6 | -60.9 | -178.5 | 144.9 | 0 | 0 | 118.4 | | |
| 34 | K | 55.3 | Low | 51 | Low | 196 Ų | 196 | 146 Ų | 146 | 85% | 0.852 | 75% | 0.746 | S | S | * | * | | | trans | -163.3 | 50.1 | 131.2 | 58.5 | -175.5 | -178.6 | -137.3 | 0 | 114.1 | | |
| 35 | N | 54.5 | Low | 50.1 | Low | 173 Ų | 173 | 146.9 Ų | 146.9 | 93% | 0.925 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -112 | 22.9 | 169.1 | -101.3 | -51.9 | 0 | 0 | 0 | 112.9 | | |
| 36 | L | 45.5 | Very low | 49.2 | Very low | 158 Ų | 158 | 149 Ų | 149 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -149.1 | 155 | 172.7 | -161.1 | 59.4 | 0 | 0 | 0 | 111.8 | | |
| 37 | V | 35.8 | Very low | 49 | Very low | 120 Ų | 120 | 145.9 Ų | 145.9 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | | | trans | 76.8 | 88.8 | 175.8 | -164.4 | 0 | 0 | 0 | 0 | 115.6 | G39 | V37-G39 PolarHBondContact O-N 2.68Š|
| 38 | F | 46 | Very low | 47.9 | Very low | 220 Ų | 220 | 148.5 Ų | 148.5 | 97% | 0.965 | 78% | 0.775 | S | S | * | * | | | trans | -56.7 | 122.5 | 147.7 | -76.7 | -110.6 | 0 | 0 | 0 | 109.5 | | |
| 39 | G | 46.6 | Very low | 47 | Very low | 57 Ų | 57 | 151.1 Ų | 151.1 | 59% | 0.588 | 78% | 0.778 | S | S | * | * | | | trans | 155.5 | 139 | 165 | 0 | 0 | 0 | 0 | 0 | 116.2 | V37 | V37-G39 PolarHBondContact O-N 2.68Š|
| 40 | T | 38.3 | Very low | 46.4 | Very low | 136 Ų | 136 | 149.3 Ų | 149.3 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | 53.2 | 81.8 | 157.9 | 46.6 | 0 | 0 | 0 | 0 | 118.5 | I42 | T40-I42 PolarHBondContact O-N 3.41Å; T40-I42 VanDerWaalsContact O-N 3.13Å |
| 41 | R | 50.8 | Low | 45.9 | Very low | 239 Ų | 239 | 151.3 Ų | 151.3 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | trans | -33.8 | 104.8 | 145.2 | -178.1 | -163.9 | -151.2 | -162.7 | 7.1 | 113.3 | | |
| 42 | I | 41.8 | Very low | 45.3 | Very low | 152 Ų | 152 | 155.7 Ų | 155.7 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | | | trans | -133.2 | 98.8 | 156.4 | -58.6 | -176 | 0 | 0 | 0 | 109.1 | T40 | T40-I42 PolarHBondContact O-N 3.41Å; T40-I42 VanDerWaalsContact O-N 3.13Å |
| 43 | E | 47.8 | Very low | 44.5 | Very low | 173 Ų | 173 | 159.6 Ų | 159.6 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | | | trans | -68.9 | 133.8 | 151.3 | 169.5 | -175.7 | -161.2 | 0 | 0 | 107.8 | | |
| 44 | K | 41.7 | Very low | 43.9 | Very low | 164 Ų | 164 | 157.8 Ų | 157.8 | 71% | 0.713 | 80% | 0.8 | S | S | * | * | | | trans | 143.7 | 142.5 | 144.7 | 180 | 167.9 | 169.8 | 179.5 | 0 | 116.1 | | |
| 45 | D | 36.2 | Very low | 43.7 | Very low | 145 Ų | 145 | 157.1 Ų | 157.1 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | | | trans | 81.7 | 141.5 | 167.9 | -61.5 | -24.7 | 0 | 0 | 0 | 119.6 | | |
| 46 | L | 34.4 | Very low | 43.3 | Very low | 163 Ų | 163 | 153.7 Ų | 153.7 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | | | trans | -127.7 | -167.3 | -159.6 | -157.4 | 101 | 0 | 0 | 0 | 109.4 | | |
| 47 | P | 53.9 | Low | 43.1 | Very low | 102 Ų | 102 | 153.7 Ų | 153.7 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | | | | -89.5 | -171.3 | -86.9 | 40.6 | -27.1 | 0 | 0 | 0 | 113.2 | | |
| 48 | T | 35.3 | Very low | 43.3 | Very low | 124 Ų | 124 | 155.5 Ų | 155.5 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | | | | 174.4 | 128.2 | 118.9 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 49 | E | 40.1 | Very low | 43.4 | Very low | 155 Ų | 155 | 152.9 Ų | 152.9 | 72% | 0.724 | 78% | 0.78 | S | S | * | * | | | trans | -0.9 | 151 | 147.5 | -112.8 | 177.9 | 97.3 | 0 | 0 | 122.4 | | |
| 50 | N | 47.9 | Very low | 43.8 | Very low | 129 Ų | 129 | 154 Ų | 154 | 69% | 0.69 | 78% | 0.779 | S | S | * | * | | | trans | 76.2 | 90 | 148.7 | -56.8 | -30.3 | 0 | 0 | 0 | 120.8 | | |
| 51 | Q | 42.4 | Very low | 44 | Very low | 203 Ų | 203 | 155.6 Ų | 155.6 | 95% | 0.949 | 78% | 0.777 | S | S | * | * | | | trans | -140.6 | 91.9 | 135.7 | -71.3 | -161.3 | -11.7 | 0 | 0 | 110.4 | | |
| 52 | E | 44.7 | Very low | 43.9 | Very low | 190 Ų | 190 | 151.3 Ų | 151.3 | 89% | 0.888 | 77% | 0.767 | S | S | * | * | | | trans | -76 | 166.3 | 157.1 | -168.9 | 174 | 179.1 | 0 | 0 | 109.1 | | |
| 53 | E | 41.4 | Very low | 44.1 | Very low | 171 Ų | 171 | 153.1 Ų | 153.1 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | | | trans | 71.4 | 105.4 | 169.3 | -165.9 | 174 | -147.6 | 0 | 0 | 117.4 | | |
| 54 | N | 40.8 | Very low | 44 | Very low | 144 Ų | 144 | 151 Ų | 151 | 77% | 0.77 | 76% | 0.759 | S | S | * | * | | | | -165.9 | 78.9 | 119.5 | -109.1 | -86.1 | 0 | 0 | 0 | 111 | S56 | N54-S56 PolarHBondContact O-N 3.42Š|
| 55 | L | 51.5 | Low | 44.3 | Very low | 181 Ų | 181 | 147.1 Ų | 147.1 | 95% | 0.948 | 75% | 0.747 | S | S | * | * | | | trans | -78.8 | 100.3 | 161.4 | -76.4 | 169.1 | 0 | 0 | 0 | 108.3 | | |
| 56 | S | 47.2 | Very low | 45 | Very low | 101 Ų | 101 | 146.5 Ų | 146.5 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | | | trans | -125 | 89.8 | -179.6 | -159 | 0 | 0 | 0 | 0 | 113.2 | N54 | N54-S56 PolarHBondContact O-N 3.42Š|
| 57 | M | 41.2 | Very low | 46 | Very low | 158 Ų | 158 | 146.2 Ų | 146.2 | 78% | 0.778 | 75% | 0.745 | S | S | * | * | | | trans | 30.1 | 131.3 | 133.9 | -55.2 | -178 | 71.2 | 0 | 0 | 121.2 | | |
| 58 | E | 38.7 | Very low | 45.6 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | | | trans | 61.6 | 124.5 | 139.3 | -139.2 | -177.7 | 106.5 | 0 | 0 | 118.1 | | |
| 59 | K | 49.3 | Very low | 46 | Very low | 164 Ų | 164 | 149.4 Ų | 149.4 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | | | | -176.5 | 156.8 | 61 | -165.9 | 171.1 | -178.6 | -161.8 | 0 | 113.8 | | |
| 60 | S | 54.1 | Low | 46.2 | Very low | 80 Ų | 80 | 150.8 Ų | 150.8 | 56% | 0.559 | 76% | 0.762 | S | S | * | * | | | trans | -65.5 | 148.8 | 169.3 | 50.6 | 0 | 0 | 0 | 0 | 115.5 | | |
| 61 | H | 42.1 | Very low | 46.1 | Very low | 171 Ų | 171 | 150.5 Ų | 150.5 | 79% | 0.792 | 77% | 0.77 | S | S | * | * | | | | -174.7 | 149.3 | 104 | -103.6 | -72.2 | 0 | 0 | 0 | 116.2 | | |
| 62 | H | 48.8 | Very low | 46.5 | Very low | 149 Ų | 149 | 145.9 Ų | 145.9 | 69% | 0.69 | 76% | 0.756 | S | S | * | * | | | trans | -50.9 | 138.5 | 172.5 | 167 | 53.2 | 0 | 0 | 0 | 116.9 | | |
| 63 | F | 46.6 | Very low | 46.4 | Very low | 190 Ų | 190 | 145 Ų | 145 | 83% | 0.833 | 75% | 0.752 | S | S | * | * | | | trans | -164.1 | 137.7 | 162.1 | -141.2 | -114.6 | 0 | 0 | 0 | 105.6 | | |
| 64 | E | 45.4 | Very low | 46.5 | Very low | 127 Ų | 127 | 146.2 Ų | 146.2 | 59% | 0.593 | 76% | 0.757 | S | S | * | * | | | cis | -146.2 | 174.3 | -7.3 | -121.9 | -74.3 | -125.2 | 0 | 0 | 108.3 | | |
| 65 | D | 47.8 | Very low | 46.8 | Very low | 84 Ų | 84 | 147.9 Ų | 147.9 | 45% | 0.449 | 76% | 0.758 | S | S | . | * | | | trans | -68.7 | 148.4 | -179.8 | -87.2 | -42.9 | 0 | 0 | 0 | 115.1 | K67 | D65-K67 HydrophobicContact CB-CD 4.49Å; D65-K67 IonicContact OD1-NZ 2.73Å; D65-K67 WeakPolarHBondContact OD2-CE 3.25Å; D65-K67 IonicContact OD2-NZ 2.61Å; D65-K67 PolarHBondContact OD2-NZ 3.13Å |
| 66 | S | 50.2 | Low | 46.6 | Very low | 131 Ų | 131 | 147 Ų | 147 | 92% | 0.916 | 75% | 0.753 | S | S | * | * | | | trans | -150.2 | 85.5 | 151.3 | -82.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 67 | K | 56.7 | Low | 46.4 | Very low | 157 Ų | 157 | 148.4 Ų | 148.4 | 68% | 0.683 | 76% | 0.763 | S | S | * | * | | | trans | -108.2 | 103.1 | 179.8 | 60.8 | -150 | 175.3 | -164.6 | 0 | 110.5 | D65 | D65-K67 HydrophobicContact CB-CD 4.49Å; D65-K67 IonicContact OD1-NZ 2.73Å; D65-K67 WeakPolarHBondContact OD2-CE 3.25Å; D65-K67 IonicContact OD2-NZ 2.61Å; D65-K67 PolarHBondContact OD2-NZ 3.13Å |
| 68 | T | 45.3 | Very low | 46.7 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | | | trans | -137.3 | 89.7 | 165.5 | -43.7 | 0 | 0 | 0 | 0 | 111 | | |
| 69 | L | 43.4 | Very low | 46.9 | Very low | 160 Ų | 160 | 144.1 Ų | 144.1 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | 23.7 | 136.8 | 139.1 | -53.3 | 178.7 | 0 | 0 | 0 | 120.2 | | |
| 70 | H | 44.1 | Very low | 47.1 | Very low | 185 Ų | 185 | 140.7 Ų | 140.7 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | | | trans | -39.6 | 140.2 | 166.6 | -69.9 | -96 | 0 | 0 | 0 | 114.6 | | |
| 71 | S | 46.6 | Very low | 46.7 | Very low | 123 Ų | 123 | 143.2 Ų | 143.2 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | | | trans | -115.6 | 132.3 | 143.4 | -165.5 | 0 | 0 | 0 | 0 | 108.9 | | |
| 72 | V | 49.9 | Very low | 47.1 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | | | trans | -96.5 | 153.6 | 178.9 | -136.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 73 | E | 43.5 | Very low | 47.3 | Very low | 172 Ų | 172 | 139.5 Ų | 139.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | 38.4 | 117.4 | 156.5 | 68.1 | -151.6 | 80.5 | 0 | 0 | 122.4 | | |
| 74 | E | 42.3 | Very low | 47.8 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | | | | -151.5 | 154.9 | 116.6 | -151.6 | 176.4 | 137.5 | 0 | 0 | 110.7 | | |
| 75 | K | 48.8 | Very low | 48.2 | Very low | 179 Ų | 179 | 136.7 Ų | 136.7 | 78% | 0.778 | 78% | 0.777 | S | S | * | * | | | trans | -93.3 | 171.2 | 179 | -63.6 | -167.2 | 176.7 | -165.7 | 0 | 110.4 | | |
| 76 | L | 46.2 | Very low | 48.6 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | cis | -167 | 171.6 | 46.5 | -79.9 | 166.6 | 0 | 0 | 0 | 111.8 | | |
| 77 | S | 44 | Very low | 48.8 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 92% | 0.923 | 79% | 0.789 | S | S | * | * | | | trans | 98.2 | 127.9 | 147.9 | -154.2 | 0 | 0 | 0 | 0 | 118.5 | | |
| 78 | G | 46.2 | Very low | 48.7 | Very low | 75 Ų | 75 | 138.9 Ų | 138.9 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | | | trans | 138.1 | 68.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 79 | D | 44.3 | Very low | 49.3 | Very low | 152 Ų | 152 | 139.6 Ų | 139.6 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | | | trans | -74.2 | 123.5 | 179.6 | -172.5 | 17.1 | 0 | 0 | 0 | 112.3 | | |
| 80 | S | 52.9 | Low | 50.1 | Low | 92 Ų | 92 | 136.8 Ų | 136.8 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | | | trans | -167.8 | 96.3 | 159.1 | -179.8 | 0 | 0 | 0 | 0 | 111.9 | N82 | S80-N82 PolarHBondContact O-N 2.96Š|
| 81 | V | 46 | Very low | 50.9 | Low | 133 Ų | 133 | 133.4 Ų | 133.4 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | | | trans | -76.3 | 98.2 | 170.9 | -79.2 | 0 | 0 | 0 | 0 | 112.6 | | |
| 82 | N | 50 | Low | 51.5 | Low | 131 Ų | 131 | 132.6 Ų | 132.6 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | | | trans | -159.6 | 101.9 | 152.2 | 34.8 | 61.6 | 0 | 0 | 0 | 113.2 | S80 L84 | S80-N82 PolarHBondContact O-N 2.96Å; N82-L84 PolarHBondContact O-N 3.34Å |
| 83 | S | 52.9 | Low | 52 | Low | 111 Ų | 111 | 136.2 Ų | 136.2 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | | | trans | -35.4 | 125.1 | 162.4 | 50 | 0 | 0 | 0 | 0 | 115.6 | | |
| 84 | L | 58 | Low | 52.7 | Low | 154 Ų | 154 | 136 Ų | 136 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | -70.2 | 129.6 | 145.2 | 178.8 | 62.3 | 0 | 0 | 0 | 107.9 | N82 | N82-L84 PolarHBondContact O-N 3.34Š|
| 85 | P | 53.8 | Low | 53.4 | Low | 103 Ų | 103 | 133 Ų | 133 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | | -130.4 | 132.1 | 121.3 | 34.6 | -26.8 | 0 | 0 | 0 | 112.1 | S87 | P85-S87 PolarHBondContact O-N 3.43Š|
| 86 | Q | 55.9 | Low | 54 | Low | 178 Ų | 178 | 129.3 Ų | 129.3 | 83% | 0.832 | 77% | 0.765 | S | S | * | * | | | trans | -56.9 | 110.3 | 170 | 177.5 | 176.1 | 0.4 | 0 | 0 | 110.7 | | |
| 87 | S | 53.4 | Low | 54.4 | Low | 113 Ų | 113 | 128.6 Ų | 128.6 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | | | trans | -104.2 | 123.1 | 172.9 | 62.1 | 0 | 0 | 0 | 0 | 111.3 | P85 N89 | P85-S87 PolarHBondContact O-N 3.43Å; S87-N89 PolarHBondContact O-N 3.46Å |
| 88 | V | 55.3 | Low | 54.8 | Low | 128 Ų | 128 | 129.7 Ų | 129.7 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | | | trans | -69.9 | 121.7 | 176 | -77.3 | 0 | 0 | 0 | 0 | 110.6 | V90 | V88-V90 PolarHBondContact O-N 3.02Š|
| 89 | N | 56.9 | Low | 54.9 | Low | 147 Ų | 147 | 131.6 Ų | 131.6 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | trans | -92.5 | 94.4 | 166.3 | -174 | 3 | 0 | 0 | 0 | 109.2 | S87 | S87-N89 PolarHBondContact O-N 3.46Š|
| 90 | V | 62 | Low | 55.6 | Low | 101 Ų | 101 | 131.2 Ų | 131.2 | 61% | 0.612 | 75% | 0.747 | S | S | * | * | | | trans | -102.7 | 112.9 | 167.4 | 178.7 | 0 | 0 | 0 | 0 | 107.9 | V88 S92 | V88-V90 PolarHBondContact O-N 3.02Å; V90-S92 VanDerWaalsContact C-N 3.3Å; V90-S92 PolarHBondContact O-N 3.32Å |
| 91 | P | 59.8 | Low | 55.4 | Low | 114 Ų | 114 | 132.5 Ų | 132.5 | 74% | 0.74 | 75% | 0.751 | S | S | * | * | | | trans | -72.9 | 84 | 170.2 | -16.8 | 32.3 | 0 | 0 | 0 | 110.5 | Q93 | P91-Q93 PolarHBondContact O-N 3.47Å; P91-Q93 VanDerWaalsContact O-N 3.14Å |
| 92 | S | 59.4 | Low | 55.7 | Low | 106 Ų | 106 | 132.7 Ų | 132.7 | 74% | 0.741 | 75% | 0.747 | S | S | * | * | | | trans | -75.7 | 94.9 | 169.1 | -68.3 | 0 | 0 | 0 | 0 | 110 | V90 | V90-S92 VanDerWaalsContact C-N 3.3Å; V90-S92 PolarHBondContact O-N 3.32Å |
| 93 | Q | 59.4 | Low | 55.7 | Low | 181 Ų | 181 | 137.7 Ų | 137.7 | 85% | 0.846 | 76% | 0.756 | S | S | * | * | | | trans | -124.7 | 81.4 | 164.6 | -167.9 | 167.9 | -15.3 | 0 | 0 | 110.7 | P91 H95 | P91-Q93 PolarHBondContact O-N 3.47Å; P91-Q93 VanDerWaalsContact O-N 3.14Å; Q93-H95 PolarHBondContact O-N 3.16Å |
| 94 | I | 59.3 | Low | 55.8 | Low | 169 Ų | 169 | 138.3 Ų | 138.3 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | | | trans | -68.9 | 115.1 | 161.7 | 26.5 | 171.9 | 0 | 0 | 0 | 109 | | |
| 95 | H | 57 | Low | 55.4 | Low | 133 Ų | 133 | 135.5 Ų | 135.5 | 62% | 0.616 | 75% | 0.749 | S | S | * | * | | | trans | -119.1 | 117.6 | 160.2 | 151.2 | -93.3 | 0 | 0 | 0 | 106.1 | Q93 E97 | Q93-H95 PolarHBondContact O-N 3.16Å; H95-E97 IonicContact CD2-OE2 2.64Å; H95-E97 IonicContact CE1-OE2 3.96Å; H95-E97 PolarHBondContact CE1-OE2 2.87Å; H95-E97 VanDerWaalsContact CE1-OE2 3.3Å; H95-E97 VanDerWaalsContact NE2-CD 3.26Å; H95-E97 WeakPolarHBondContact NE2-CG 3.39Å; H95-E97 IonicContact NE2-OE2 3.3Å; H95-E97 PolarHBondContact NE2-OE2 3.46Å |
| 96 | S | 61.9 | Low | 55.1 | Low | 102 Ų | 102 | 136 Ų | 136 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | | | trans | -121.6 | 94.5 | 178.8 | 54.8 | 0 | 0 | 0 | 0 | 108.1 | D98 | S96-D98 PolarHBondContact O-N 3.4Š|
| 97 | E | 54.4 | Low | 54.8 | Low | 145 Ų | 145 | 134.6 Ų | 134.6 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | | | trans | -90.1 | 93.7 | 166.9 | -88.2 | 179 | 136.3 | 0 | 0 | 109.8 | H95 T99 | H95-E97 IonicContact CD2-OE2 2.64Å; H95-E97 IonicContact CE1-OE2 3.96Å; H95-E97 PolarHBondContact CE1-OE2 2.87Å; H95-E97 VanDerWaalsContact CE1-OE2 3.3Å; H95-E97 VanDerWaalsContact NE2-CD 3.26Å; H95-E97 WeakPolarHBondContact NE2-CG 3.39Å; H95-E97 IonicContact NE2-OE2 3.3Å; H95-E97 PolarHBondContact NE2-OE2 3.46Å; E97-T99 VanDerWaalsContact C-N 3.26Å; E97-T99 PolarHBondContact O-N 2.92Å |
| 98 | D | 51.6 | Low | 55.1 | Low | 156 Ų | 156 | 136.3 Ų | 136.3 | 83% | 0.834 | 75% | 0.748 | S | S | * | * | | | trans | -67 | 82.8 | 162.3 | -89.1 | -40.3 | 0 | 0 | 0 | 109.9 | S96 L100 | S96-D98 PolarHBondContact O-N 3.4Å; D98-L100 VanDerWaalsContact C-N 3.33Å; D98-L100 PolarHBondContact O-N 3.05Å |
| 99 | T | 49.5 | Very low | 55.1 | Low | 114 Ų | 114 | 137.3 Ų | 137.3 | 70% | 0.699 | 75% | 0.748 | S | S | * | * | | | trans | -87.5 | 78.9 | 165.1 | 53.6 | 0 | 0 | 0 | 0 | 110.5 | E97 T101 | E97-T99 VanDerWaalsContact C-N 3.26Å; E97-T99 PolarHBondContact O-N 2.92Å; T99-T101 PolarHBondContact O-N 3.13Å |
| 100 | L | 58.7 | Low | 54.7 | Low | 145 Ų | 145 | 136.1 Ų | 136.1 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | | | trans | -58.3 | 97.7 | 161.9 | -112.7 | 169.3 | 0 | 0 | 0 | 109.9 | D98 L102 | D98-L100 VanDerWaalsContact C-N 3.33Å; D98-L100 PolarHBondContact O-N 3.05Å; L100-L102 HydrophobicContact CD2-CD1 3.45Å; L100-L102 VanDerWaalsContact CD2-CD1 3.45Å |
| 101 | T | 48.3 | Very low | 54.6 | Low | 119 Ų | 119 | 135.6 Ų | 135.6 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | | | trans | -121.9 | 82.5 | 160.8 | 47.9 | 0 | 0 | 0 | 0 | 110.7 | T99 R103 | T99-T101 PolarHBondContact O-N 3.13Å; T101-R103 PolarHBondContact O-N 2.92Å |
| 102 | L | 51.5 | Low | 54.5 | Low | 136 Ų | 136 | 136.3 Ų | 136.3 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | | | trans | -57.1 | 109.5 | 151.9 | -91.6 | 79.4 | 0 | 0 | 0 | 107.9 | L100 | L100-L102 HydrophobicContact CD2-CD1 3.45Å; L100-L102 VanDerWaalsContact CD2-CD1 3.45Å |
| 103 | R | 51.4 | Low | 54.3 | Low | 236 Ų | 236 | 137.7 Ų | 137.7 | 89% | 0.891 | 75% | 0.748 | S | S | * | * | | | trans | -106.5 | 79.8 | 153.7 | -86.9 | -166 | 166.7 | -166.4 | -2.9 | 109.4 | T101 S105 | T101-R103 PolarHBondContact O-N 2.92Å; R103-S105 PolarHBondContact O-N 2.77Å |
| 104 | T | 54.6 | Low | 53.8 | Low | 124 Ų | 124 | 136.4 Ų | 136.4 | 76% | 0.761 | 75% | 0.745 | S | S | * | * | | | trans | -62.6 | 107.1 | 148.6 | 48.5 | 0 | 0 | 0 | 0 | 107.6 | | |
| 105 | S | 49.9 | Very low | 53.3 | Low | 96 Ų | 96 | 139.5 Ų | 139.5 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | | | trans | -154.1 | 115.4 | 163.4 | -157.4 | 0 | 0 | 0 | 0 | 112.2 | R103 | R103-S105 PolarHBondContact O-N 2.77Š|
| 106 | T | 46.2 | Very low | 53.1 | Low | 112 Ų | 112 | 139.9 Ų | 139.9 | 69% | 0.687 | 77% | 0.768 | S | S | * | * | | | trans | 75.6 | 99.3 | 148 | -45.4 | 0 | 0 | 0 | 0 | 116.7 | N108 | T106-N108 PolarHBondContact O-N 3.11Å; T106-N108 VanDerWaalsContact O-N 3.13Å |
| 107 | D | 50.2 | Low | 52.6 | Low | 150 Ų | 150 | 141.8 Ų | 141.8 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -48.6 | 111.8 | 154.9 | -48.6 | -87.9 | 0 | 0 | 0 | 110.7 | | |
| 108 | N | 58.8 | Low | 52.5 | Low | 148 Ų | 148 | 141.7 Ų | 141.7 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | | | trans | -99.5 | 64.6 | 160.6 | 64.7 | -29.8 | 0 | 0 | 0 | 109.4 | T106 S110 | T106-N108 PolarHBondContact O-N 3.11Å; T106-N108 VanDerWaalsContact O-N 3.13Å; N108-S110 PolarHBondContact O-N 3.18Å |
| 109 | L | 55.2 | Low | 52.6 | Low | 149 Ų | 149 | 140.8 Ų | 140.8 | 78% | 0.78 | 77% | 0.773 | S | S | * | * | | | trans | -54.7 | 108.3 | 156.1 | -73.9 | 177.6 | 0 | 0 | 0 | 107.1 | S111 | L109-S111 PolarHBondContact O-N 3.25Š|
| 110 | S | 49.3 | Very low | 52.8 | Low | 123 Ų | 123 | 142.5 Ų | 142.5 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | | | trans | -74 | 54 | 177.4 | -175.3 | 0 | 0 | 0 | 0 | 111.1 | N108 N112 | N108-S110 PolarHBondContact O-N 3.18Å; S110-N112 PolarHBondContact O-N 3.13Å; S110-N112 VanDerWaalsContact O-N 3.13Å |
| 111 | S | 59.3 | Low | 52.4 | Low | 89 Ų | 89 | 142.3 Ų | 142.3 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | | | trans | -61.5 | 107.8 | 155.7 | -63.2 | 0 | 0 | 0 | 0 | 107.2 | L109 | L109-S111 PolarHBondContact O-N 3.25Š|
| 112 | N | 57.7 | Low | 52.7 | Low | 129 Ų | 129 | 144 Ų | 144 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | | | | 176.7 | 126 | 113.5 | -91 | -27 | 0 | 0 | 0 | 115.1 | S110 | S110-N112 PolarHBondContact O-N 3.13Å; S110-N112 VanDerWaalsContact O-N 3.13Å |
| 113 | I | 55 | Low | 52.8 | Low | 136 Ų | 136 | 144.6 Ų | 144.6 | 70% | 0.697 | 79% | 0.788 | S | S | * | * | | | trans | 75.5 | 147.8 | 137.5 | -53.7 | 166.5 | 0 | 0 | 0 | 111.5 | | |
| 114 | I | 49.8 | Very low | 52.9 | Low | 154 Ų | 154 | 137 Ų | 137 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | | | cis | -137 | 152.3 | 34.2 | -34.1 | -135.8 | 0 | 0 | 0 | 112.3 | | |
| 115 | I | 48.5 | Very low | 52.7 | Low | 234 Ų | 234 | 138.2 Ų | 138.2 | 100% | 1.2 | 78% | 0.781 | S | S | * | * | | | trans | -53.9 | 0 | 170.4 | -60.7 | 162.7 | 0 | 0 | 0 | 111.9 | | |