| 1 | R | 41.8 | Very low | 49.1 | Very low | 307 Ų | 307 | 145.5 Ų | 145.5 | 100% | 1.158 | 81% | 0.807 | S | S | * | * | | | | 0 | 125.5 | 0 | -76.6 | 177.6 | 170.3 | 158.9 | -4.1 | 106.8 | | |
| 2 | M | 39.1 | Very low | 50.1 | Low | 191 Ų | 191 | 136.4 Ų | 136.4 | 94% | 0.941 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -84.4 | 152.7 | 178.4 | -71.2 | 168.2 | 67.2 | 0 | 0 | 110.4 | | |
| 3 | S | 50.4 | Low | 51.5 | Low | 117 Ų | 117 | 132.6 Ų | 132.6 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 134.2 | 178.8 | -167.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 4 | G | 46.2 | Very low | 52.7 | Low | 71 Ų | 71 | 130.6 Ų | 130.6 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 121.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 5 | T | 53.7 | Low | 54.7 | Low | 121 Ų | 121 | 126.3 Ų | 126.3 | 74% | 0.742 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 133.4 | -179.6 | 36 | 0 | 0 | 0 | 0 | 112 | H7 | T5-H7 PolarHBondContact O-N 3.25Š|
| 6 | P | 50.1 | Low | 56.8 | Low | 135 Ų | 135 | 128.4 Ų | 128.4 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | | | trans | -80.8 | 99.2 | 173.1 | 31.6 | -32 | 0 | 0 | 0 | 110.2 | | |
| 7 | H | 44.3 | Very low | 59 | Low | 167 Ų | 167 | 126.5 Ų | 126.5 | 77% | 0.773 | 72% | 0.716 | S | S | * | * | | | trans | -128.5 | 57.1 | 178.5 | -164.8 | -72 | 0 | 0 | 0 | 111.8 | T5 | T5-H7 PolarHBondContact O-N 3.25Š|
| 8 | A | 54.9 | Low | 61 | Low | 87 Ų | 87 | 127.3 Ų | 127.3 | 72% | 0.719 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -120.7 | -27.4 | -180 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 9 | E | 51.1 | Low | 62.8 | Low | 170 Ų | 170 | 124.7 Ų | 124.7 | 79% | 0.794 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -74.2 | -34.2 | -173.3 | -67.5 | -161.1 | 107.8 | 0 | 0 | 114.3 | E11 G12 V13 | E9-E11 VanDerWaalsContact C-N 3.32Å; E9-E11 PolarHBondContact O-N 3.23Å; E9-G12 PolarHBondContact O-N 3.09Å; E9-V13 WeakPolarHBondContact O-CG2 3.42Å; E9-V13 PolarHBondContact O-N 3.27Å |
| 10 | A | 55.8 | Low | 64.5 | Low | 65 Ų | 65 | 126.7 Ų | 126.7 | 54% | 0.537 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -59.5 | -39.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V14 | A10-V14 WeakPolarHBondContact O-CG2 3.22Å; A10-V14 PolarHBondContact O-N 3.02Å |
| 11 | E | 53.3 | Low | 66 | Low | 169 Ų | 169 | 128 Ų | 128 | 79% | 0.79 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -73.5 | -43.2 | -178.9 | -169.1 | 174 | 171.7 | 0 | 0 | 112 | E9 V13 V14 S15 | E9-E11 VanDerWaalsContact C-N 3.32Å; E9-E11 PolarHBondContact O-N 3.23Å; E11-V13 VanDerWaalsContact C-N 3.29Å; E11-V13 PolarHBondContact O-N 3.37Å; E11-V14 PolarHBondContact O-N 3.08Å; E11-S15 PolarHBondContact O-N 3.27Å; E11-S15 VanDerWaalsContact O-N 3.08Å |
| 12 | G | 61.2 | Low | 68.7 | Low | 37 Ų | 37 | 118.2 Ų | 118.2 | 38% | 0.381 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -63.8 | -31.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | E9 S15 K16 | E9-G12 PolarHBondContact O-N 3.09Å; G12-S15 PolarHBondContact O-OG 3.29Å; G12-S15 VanDerWaalsContact O-OG 3.08Å; G12-K16 VanDerWaalsContact O-CB 3.22Å; G12-K16 WeakPolarHBondContact O-CB 3.38Å; G12-K16 PolarHBondContact O-N 3.06Å |
| 13 | V | 67.7 | Low | 71.5 | Confident | 87 Ų | 87 | 113.8 Ų | 113.8 | 53% | 0.527 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -67.2 | -42.6 | 173.1 | 169.9 | 0 | 0 | 0 | 0 | 111.2 | E9 E11 K16 V17 | E9-V13 WeakPolarHBondContact O-CG2 3.42Å; E9-V13 PolarHBondContact O-N 3.27Å; E11-V13 VanDerWaalsContact C-N 3.29Å; E11-V13 PolarHBondContact O-N 3.37Å; V13-K16 PolarHBondContact O-N 3.22Å; V13-V17 WeakPolarHBondContact O-CG2 3.45Å; V13-V17 PolarHBondContact O-N 3.47Å |
| 14 | V | 68.1 | Low | 73.8 | Confident | 104 Ų | 104 | 113.9 Ų | 113.9 | 63% | 0.63 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -66.4 | -42.5 | 178.9 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | A10 E11 V17 K18 | A10-V14 WeakPolarHBondContact O-CG2 3.22Å; A10-V14 PolarHBondContact O-N 3.02Å; E11-V14 PolarHBondContact O-N 3.08Å; V14-V17 PolarHBondContact O-N 3.06Å; V14-K18 PolarHBondContact O-N 3.31Å |
| 15 | S | 82.3 | Confident | 76.3 | Confident | 67 Ų | 67 | 113.3 Ų | 113.3 | 47% | 0.469 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.8 | -42.5 | 175.8 | 70.9 | 0 | 0 | 0 | 0 | 111.7 | E11 G12 V17 K18 V19 | E11-S15 PolarHBondContact O-N 3.27Å; E11-S15 VanDerWaalsContact O-N 3.08Å; G12-S15 PolarHBondContact O-OG 3.29Å; G12-S15 VanDerWaalsContact O-OG 3.08Å; S15-V17 VanDerWaalsContact C-N 3.34Å; S15-V17 PolarHBondContact O-N 2.7Å; S15-K18 WeakPolarHBondContact O-CB 3.37Å; S15-K18 PolarHBondContact O-N 2.97Å; S15-K18 VanDerWaalsContact O-N 3.16Å; S15-V19 WeakPolarHBondContact O-CG2 3.3Å; S15-V19 PolarHBondContact O-N 3.43Å |
| 16 | K | 89.7 | Confident | 78.4 | Confident | 160 Ų | 160 | 111.9 Ų | 111.9 | 70% | 0.696 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62 | -36.6 | 175.4 | -171.3 | 172.7 | -175.2 | 174.1 | 0 | 113 | G12 V13 K20 | G12-K16 VanDerWaalsContact O-CB 3.22Å; G12-K16 WeakPolarHBondContact O-CB 3.38Å; G12-K16 PolarHBondContact O-N 3.06Å; V13-K16 PolarHBondContact O-N 3.22Å; K16-K20 VanDerWaalsContact O-CB 3.29Å; K16-K20 WeakPolarHBondContact O-CB 3.47Å; K16-K20 PolarHBondContact O-N 3.41Å |
| 17 | V | 93.8 | Very high | 80.7 | Confident | 96 Ų | 96 | 108.6 Ų | 108.6 | 58% | 0.582 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.1 | -41.2 | 173.2 | 169 | 0 | 0 | 0 | 0 | 111.4 | V13 V14 S15 K20 K21 | V13-V17 WeakPolarHBondContact O-CG2 3.45Å; V13-V17 PolarHBondContact O-N 3.47Å; V14-V17 PolarHBondContact O-N 3.06Å; S15-V17 VanDerWaalsContact C-N 3.34Å; S15-V17 PolarHBondContact O-N 2.7Å; V17-K20 PolarHBondContact O-N 2.89Å; V17-K21 PolarHBondContact O-N 3.4Å |
| 18 | K | 94.5 | Very high | 83.3 | Confident | 141 Ų | 141 | 104.8 Ų | 104.8 | 61% | 0.613 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.2 | -52.1 | 174.9 | -172.3 | -172.1 | 171.8 | -166 | 0 | 111.1 | V14 S15 K20 K21 E22 | V14-K18 PolarHBondContact O-N 3.31Å; S15-K18 WeakPolarHBondContact O-CB 3.37Å; S15-K18 PolarHBondContact O-N 2.97Å; S15-K18 VanDerWaalsContact O-N 3.16Å; K18-K20 VanDerWaalsContact C-N 3.32Å; K18-K20 PolarHBondContact O-N 3.08Å; K18-K21 WeakPolarHBondContact O-CB 3.39Å; K18-K21 PolarHBondContact O-N 3.25Å; K18-E22 WeakPolarHBondContact O-CB 3.41Å; K18-E22 PolarHBondContact O-N 3.32Å |
| 19 | V | 96.3 | Very high | 85.4 | Confident | 78 Ų | 78 | 104.7 Ų | 104.7 | 47% | 0.473 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.2 | -42.2 | 177.6 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | S15 K21 E22 I23 | S15-V19 WeakPolarHBondContact O-CG2 3.3Å; S15-V19 PolarHBondContact O-N 3.43Å; V19-K21 VanDerWaalsContact C-N 3.34Å; V19-K21 PolarHBondContact O-N 3.31Å; V19-E22 PolarHBondContact O-N 2.89Å; V19-I23 HydrophobicContact CG1-CD1 3.7Å; V19-I23 HydrophobicContact CG1-CG1 4.32Å; V19-I23 WeakPolarHBondContact O-CB 3.43Å; V19-I23 VanDerWaalsContact O-CG1 3.3Å; V19-I23 WeakPolarHBondContact O-CG1 3.5Å; V19-I23 PolarHBondContact O-N 3.28Å |
| 20 | K | 95.7 | Very high | 87.6 | Confident | 164 Ų | 164 | 101 Ų | 101 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -61.7 | -38.4 | 175.2 | -176.6 | 177.5 | 178.3 | -178.9 | 0 | 112.7 | K16 V17 K18 K24 | K16-K20 VanDerWaalsContact O-CB 3.29Å; K16-K20 WeakPolarHBondContact O-CB 3.47Å; K16-K20 PolarHBondContact O-N 3.41Å; V17-K20 PolarHBondContact O-N 2.89Å; K18-K20 VanDerWaalsContact C-N 3.32Å; K18-K20 PolarHBondContact O-N 3.08Å; K20-K24 PolarHBondContact O-N 3.19Å; K20-K24 VanDerWaalsContact O-N 3.15Å |
| 21 | K | 96.8 | Very high | 89.7 | Confident | 153 Ų | 153 | 104.2 Ų | 104.2 | 67% | 0.665 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67 | -44.6 | 175.3 | -175.7 | -175.7 | 176.3 | -174.4 | 0 | 111.1 | V17 K18 V19 K24 T25 | V17-K21 PolarHBondContact O-N 3.4Å; K18-K21 WeakPolarHBondContact O-CB 3.39Å; K18-K21 PolarHBondContact O-N 3.25Å; V19-K21 VanDerWaalsContact C-N 3.34Å; V19-K21 PolarHBondContact O-N 3.31Å; K21-K24 WeakPolarHBondContact O-CB 3.5Å; K21-K24 PolarHBondContact O-N 3.38Å; K21-T25 PolarHBondContact O-N 2.96Å; K21-T25 PolarHBondContact O-OG1 3.16Å |
| 22 | E | 97.9 | Very high | 91.8 | Very high | 103 Ų | 103 | 100 Ų | 100 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -45.5 | -178.7 | -164.5 | 154.4 | -162.1 | 0 | 0 | 111.3 | K18 V19 K24 T25 I26 | K18-E22 WeakPolarHBondContact O-CB 3.41Å; K18-E22 PolarHBondContact O-N 3.32Å; V19-E22 PolarHBondContact O-N 2.89Å; E22-K24 PolarHBondContact O-N 3.4Å; E22-T25 PolarHBondContact O-N 3.08Å; E22-I26 WeakPolarHBondContact O-CG1 3.34Å; E22-I26 PolarHBondContact O-N 2.99Å |
| 23 | I | 98.1 | Very high | 93.6 | Very high | 97 Ų | 97 | 102.2 Ų | 102.2 | 50% | 0.497 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.9 | -43.5 | 170.4 | -68.2 | 168 | 0 | 0 | 0 | 111.6 | V19 T25 I26 V27 | V19-I23 HydrophobicContact CG1-CD1 3.7Å; V19-I23 HydrophobicContact CG1-CG1 4.32Å; V19-I23 WeakPolarHBondContact O-CB 3.43Å; V19-I23 VanDerWaalsContact O-CG1 3.3Å; V19-I23 WeakPolarHBondContact O-CG1 3.5Å; V19-I23 PolarHBondContact O-N 3.28Å; I23-T25 PolarHBondContact O-N 3.41Å; I23-I26 PolarHBondContact O-N 3.31Å; I23-V27 WeakPolarHBondContact O-CG2 3.47Å; I23-V27 PolarHBondContact O-N 3.38Å |
| 24 | K | 98.1 | Very high | 95.1 | Very high | 120 Ų | 120 | 103.1 Ų | 103.1 | 52% | 0.522 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 177 | -167.5 | -156 | 169.4 | -102.6 | 0 | 111.2 | K20 K21 E22 I26 V27 E28 | K20-K24 PolarHBondContact O-N 3.19Å; K20-K24 VanDerWaalsContact O-N 3.15Å; K21-K24 WeakPolarHBondContact O-CB 3.5Å; K21-K24 PolarHBondContact O-N 3.38Å; E22-K24 PolarHBondContact O-N 3.4Å; K24-I26 VanDerWaalsContact C-N 3.32Å; K24-I26 PolarHBondContact O-N 3.43Å; K24-V27 PolarHBondContact O-N 3.34Å; K24-E28 IonicContact NZ-OE1 2.71Å; K24-E28 PolarHBondContact NZ-OE1 3.45Å; K24-E28 IonicContact NZ-OE2 2.73Å; K24-E28 PolarHBondContact NZ-OE2 3.1Å; K24-E28 WeakPolarHBondContact O-CB 3.29Å; K24-E28 PolarHBondContact O-N 2.96Å |
| 25 | T | 98.4 | Very high | 96.5 | Very high | 59 Ų | 59 | 99.6 Ų | 99.6 | 36% | 0.362 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.6 | -35.6 | 178.5 | -64.4 | 0 | 0 | 0 | 0 | 112.1 | K21 E22 I23 E28 N29 | K21-T25 PolarHBondContact O-N 2.96Å; K21-T25 PolarHBondContact O-OG1 3.16Å; E22-T25 PolarHBondContact O-N 3.08Å; I23-T25 PolarHBondContact O-N 3.41Å; T25-E28 PolarHBondContact O-N 3.37Å; T25-N29 WeakPolarHBondContact O-CB 3.47Å; T25-N29 PolarHBondContact O-N 2.93Å; T25-N29 PolarHBondContact O-ND2 2.93Å; T25-N29 PolarHBondContact O-OD1 3.36Å |
| 26 | I | 98.4 | Very high | 97.3 | Very high | 90 Ų | 90 | 100.8 Ų | 100.8 | 46% | 0.462 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.2 | -44 | 173.3 | -68.6 | 162.8 | 0 | 0 | 0 | 111 | E22 I23 K24 N29 L30 | E22-I26 WeakPolarHBondContact O-CG1 3.34Å; E22-I26 PolarHBondContact O-N 2.99Å; I23-I26 PolarHBondContact O-N 3.31Å; K24-I26 VanDerWaalsContact C-N 3.32Å; K24-I26 PolarHBondContact O-N 3.43Å; I26-N29 PolarHBondContact O-N 3.23Å; I26-L30 HydrophobicContact CG2-CD1 3.98Å; I26-L30 VanDerWaalsContact O-CG 3.28Å; I26-L30 WeakPolarHBondContact O-CG 3.34Å; I26-L30 PolarHBondContact O-N 3.06Å |
| 27 | V | 98.6 | Very high | 97.7 | Very high | 66 Ų | 66 | 98.2 Ų | 98.2 | 40% | 0.4 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63 | -46.1 | 176.1 | 172.9 | 0 | 0 | 0 | 0 | 111.5 | I23 K24 N29 L30 E31 | I23-V27 WeakPolarHBondContact O-CG2 3.47Å; I23-V27 PolarHBondContact O-N 3.38Å; K24-V27 PolarHBondContact O-N 3.34Å; V27-N29 VanDerWaalsContact C-N 3.3Å; V27-N29 PolarHBondContact O-N 3.42Å; V27-L30 PolarHBondContact O-N 3.47Å; V27-L30 VanDerWaalsContact O-N 3.1Å; V27-E31 HydrophobicContact CG1-CG 4.35Å; V27-E31 WeakPolarHBondContact O-CG 3.42Å; V27-E31 PolarHBondContact O-N 3.01Å |
| 28 | E | 98.6 | Very high | 98 | Very high | 87 Ų | 87 | 100.8 Ų | 100.8 | 41% | 0.407 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -36 | 178.5 | -168.2 | 160.1 | -140.9 | 0 | 0 | 111.8 | K24 T25 T32 | K24-E28 IonicContact NZ-OE1 2.71Å; K24-E28 PolarHBondContact NZ-OE1 3.45Å; K24-E28 IonicContact NZ-OE2 2.73Å; K24-E28 PolarHBondContact NZ-OE2 3.1Å; K24-E28 WeakPolarHBondContact O-CB 3.29Å; K24-E28 PolarHBondContact O-N 2.96Å; T25-E28 PolarHBondContact O-N 3.37Å; E28-T32 PolarHBondContact O-N 3.1Å; E28-T32 PolarHBondContact O-OG1 3.28Å |
| 29 | N | 98.6 | Very high | 98.2 | Very high | 86 Ų | 86 | 98.7 Ų | 98.7 | 46% | 0.46 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.7 | -41.5 | 171.7 | -68.9 | -7.7 | 0 | 0 | 0 | 112.1 | T25 I26 V27 T32 I33 | T25-N29 WeakPolarHBondContact O-CB 3.47Å; T25-N29 PolarHBondContact O-N 2.93Å; T25-N29 PolarHBondContact O-ND2 2.93Å; T25-N29 PolarHBondContact O-OD1 3.36Å; I26-N29 PolarHBondContact O-N 3.23Å; V27-N29 VanDerWaalsContact C-N 3.3Å; V27-N29 PolarHBondContact O-N 3.42Å; N29-T32 WeakPolarHBondContact O-CB 3.28Å; N29-T32 PolarHBondContact O-N 3.37Å; N29-I33 VanDerWaalsContact O-CG1 3.31Å; N29-I33 WeakPolarHBondContact O-CG1 3.43Å; N29-I33 PolarHBondContact O-N 3.42Å |
| 30 | L | 98.8 | Very high | 98.3 | Very high | 92 Ų | 92 | 98.4 Ų | 98.4 | 48% | 0.482 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 178.3 | -73 | 169.7 | 0 | 0 | 0 | 112.2 | I26 V27 T32 I33 L34 | I26-L30 HydrophobicContact CG2-CD1 3.98Å; I26-L30 VanDerWaalsContact O-CG 3.28Å; I26-L30 WeakPolarHBondContact O-CG 3.34Å; I26-L30 PolarHBondContact O-N 3.06Å; V27-L30 PolarHBondContact O-N 3.47Å; V27-L30 VanDerWaalsContact O-N 3.1Å; L30-T32 VanDerWaalsContact C-N 3.27Å; L30-T32 PolarHBondContact O-N 2.84Å; L30-I33 PolarHBondContact O-N 3.37Å; L30-L34 VanDerWaalsContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.44Å; L30-L34 VanDerWaalsContact O-CG 3.22Å; L30-L34 WeakPolarHBondContact O-CG 3.46Å; L30-L34 PolarHBondContact O-N 3.46Å |
| 31 | E | 98.4 | Very high | 98.4 | Very high | 133 Ų | 133 | 92.9 Ų | 92.9 | 62% | 0.621 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -59.3 | -39.3 | 172 | -73.3 | 174 | 168.1 | 0 | 0 | 111.3 | V27 G35 | V27-E31 HydrophobicContact CG1-CG 4.35Å; V27-E31 WeakPolarHBondContact O-CG 3.42Å; V27-E31 PolarHBondContact O-N 3.01Å; E31-G35 PolarHBondContact O-N 3.46Å; E31-G35 VanDerWaalsContact O-N 3.16Å |
| 32 | T | 98.4 | Very high | 98.5 | Very high | 79 Ų | 79 | 91.2 Ų | 91.2 | 49% | 0.485 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.9 | -54.2 | 174.7 | -52.1 | 0 | 0 | 0 | 0 | 111.5 | E28 N29 L30 L34 G35 D36 | E28-T32 PolarHBondContact O-N 3.1Å; E28-T32 PolarHBondContact O-OG1 3.28Å; N29-T32 WeakPolarHBondContact O-CB 3.28Å; N29-T32 PolarHBondContact O-N 3.37Å; L30-T32 VanDerWaalsContact C-N 3.27Å; L30-T32 PolarHBondContact O-N 2.84Å; T32-L34 VanDerWaalsContact C-N 3.28Å; T32-L34 PolarHBondContact O-N 3Å; T32-G35 VanDerWaalsContact O-CA 3.3Å; T32-G35 WeakPolarHBondContact O-CA 3.45Å; T32-G35 PolarHBondContact O-N 3.24Å; T32-D36 PolarHBondContact O-N 2.94Å |
| 33 | I | 98.8 | Very high | 98.5 | Very high | 85 Ų | 85 | 92.2 Ų | 92.2 | 44% | 0.436 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.5 | -36.7 | -179.4 | -67.4 | 162.2 | 0 | 0 | 0 | 111.6 | N29 L30 G35 D36 L37 | N29-I33 VanDerWaalsContact O-CG1 3.31Å; N29-I33 WeakPolarHBondContact O-CG1 3.43Å; N29-I33 PolarHBondContact O-N 3.42Å; L30-I33 PolarHBondContact O-N 3.37Å; I33-G35 VanDerWaalsContact C-N 3.27Å; I33-G35 PolarHBondContact O-N 3Å; I33-D36 PolarHBondContact O-N 3.17Å; I33-L37 HydrophobicContact CG2-CD1 3.87Å; I33-L37 HydrophobicContact CG2-CG 4.27Å; I33-L37 WeakPolarHBondContact O-CB 3.22Å; I33-L37 VanDerWaalsContact O-CG 3.29Å; I33-L37 WeakPolarHBondContact O-CG 3.22Å; I33-L37 PolarHBondContact O-N 3.27Å |
| 34 | L | 98.6 | Very high | 98.6 | Very high | 106 Ų | 106 | 92.9 Ų | 92.9 | 56% | 0.555 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.7 | -25 | 174 | -73.8 | 170.2 | 0 | 0 | 0 | 112.9 | L30 T32 K38 | L30-L34 VanDerWaalsContact O-CB 3.31Å; L30-L34 WeakPolarHBondContact O-CB 3.44Å; L30-L34 VanDerWaalsContact O-CG 3.22Å; L30-L34 WeakPolarHBondContact O-CG 3.46Å; L30-L34 PolarHBondContact O-N 3.46Å; T32-L34 VanDerWaalsContact C-N 3.28Å; T32-L34 PolarHBondContact O-N 3Å; L34-K38 WeakPolarHBondContact O-CD 3.36Å; L34-K38 WeakPolarHBondContact O-CG 3.4Å |
| 35 | G | 98.6 | Very high | 98.6 | Very high | 29 Ų | 29 | 94.8 Ų | 94.8 | 30% | 0.299 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.7 | -59.9 | 166.1 | 0 | 0 | 0 | 0 | 0 | 111 | E31 T32 I33 L37 K38 D39 | E31-G35 PolarHBondContact O-N 3.46Å; E31-G35 VanDerWaalsContact O-N 3.16Å; T32-G35 VanDerWaalsContact O-CA 3.3Å; T32-G35 WeakPolarHBondContact O-CA 3.45Å; T32-G35 PolarHBondContact O-N 3.24Å; I33-G35 VanDerWaalsContact C-N 3.27Å; I33-G35 PolarHBondContact O-N 3Å; G35-L37 VanDerWaalsContact C-N 3.31Å; G35-L37 PolarHBondContact O-N 3.43Å; G35-K38 WeakPolarHBondContact O-CA 3.31Å; G35-K38 WeakPolarHBondContact O-CB 3.4Å; G35-K38 PolarHBondContact O-N 3.04Å; G35-D39 PolarHBondContact O-N 3.26Å; G35-D39 VanDerWaalsContact O-N 3.15Å |
| 36 | D | 98.6 | Very high | 98.6 | Very high | 93 Ų | 93 | 96.9 Ų | 96.9 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -53.7 | -45.1 | -177.3 | -57.4 | -29.6 | 0 | 0 | 0 | 112.1 | T32 I33 K38 D39 V40 | T32-D36 PolarHBondContact O-N 2.94Å; I33-D36 PolarHBondContact O-N 3.17Å; D36-K38 VanDerWaalsContact C-N 3.28Å; D36-K38 PolarHBondContact O-N 3.44Å; D36-D39 PolarHBondContact O-N 3.15Å; D36-V40 WeakPolarHBondContact O-CG2 3.15Å; D36-V40 PolarHBondContact O-N 2.79Å |
| 37 | L | 98.8 | Very high | 98.6 | Very high | 105 Ų | 105 | 96.4 Ų | 96.4 | 55% | 0.55 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -28.3 | 177.9 | -73.2 | 173.3 | 0 | 0 | 0 | 113.5 | I33 G35 A41 | I33-L37 HydrophobicContact CG2-CD1 3.87Å; I33-L37 HydrophobicContact CG2-CG 4.27Å; I33-L37 WeakPolarHBondContact O-CB 3.22Å; I33-L37 VanDerWaalsContact O-CG 3.29Å; I33-L37 WeakPolarHBondContact O-CG 3.22Å; I33-L37 PolarHBondContact O-N 3.27Å; G35-L37 VanDerWaalsContact C-N 3.31Å; G35-L37 PolarHBondContact O-N 3.43Å; L37-A41 VanDerWaalsContact O-CB 3.24Å; L37-A41 WeakPolarHBondContact O-CB 3.39Å; L37-A41 PolarHBondContact O-N 3.48Å |
| 38 | K | 98.6 | Very high | 98.6 | Very high | 150 Ų | 150 | 97 Ų | 97 | 65% | 0.652 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -77.5 | -33.1 | 176 | -75.2 | 166.3 | 61.5 | -165 | 0 | 112 | L34 G35 D36 A41 K42 | L34-K38 WeakPolarHBondContact O-CD 3.36Å; L34-K38 WeakPolarHBondContact O-CG 3.4Å; G35-K38 WeakPolarHBondContact O-CA 3.31Å; G35-K38 WeakPolarHBondContact O-CB 3.4Å; G35-K38 PolarHBondContact O-N 3.04Å; D36-K38 VanDerWaalsContact C-N 3.28Å; D36-K38 PolarHBondContact O-N 3.44Å; K38-A41 PolarHBondContact O-N 2.9Å; K38-K42 PolarHBondContact O-N 3.43Å |
| 39 | D | 98.7 | Very high | 98.5 | Very high | 97 Ų | 97 | 98.6 Ų | 98.6 | 52% | 0.519 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -72.1 | -42.2 | 173.7 | -72.3 | -24.5 | 0 | 0 | 0 | 110.7 | G35 D36 A41 K42 E43 | G35-D39 PolarHBondContact O-N 3.26Å; G35-D39 VanDerWaalsContact O-N 3.15Å; D36-D39 PolarHBondContact O-N 3.15Å; D39-A41 VanDerWaalsContact C-N 3.32Å; D39-A41 PolarHBondContact O-N 3.29Å; D39-K42 CarbonylContact O-C 3.6Å; D39-K42 WeakPolarHBondContact O-CA 3.29Å; D39-K42 WeakPolarHBondContact O-CB 3.31Å; D39-K42 PolarHBondContact O-N 3.28Å; D39-E43 PolarHBondContact O-N 3.4Å |
| 40 | V | 98.8 | Very high | 98.5 | Very high | 73 Ų | 73 | 99.3 Ų | 99.3 | 44% | 0.442 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.2 | -43.8 | 168.8 | 172.3 | 0 | 0 | 0 | 0 | 111.6 | D36 K42 E43 L44 | D36-V40 WeakPolarHBondContact O-CG2 3.15Å; D36-V40 PolarHBondContact O-N 2.79Å; V40-K42 PolarHBondContact O-N 3.2Å; V40-E43 PolarHBondContact O-N 3.14Å; V40-L44 HydrophobicContact CG1-CD1 3.96Å; V40-L44 HydrophobicContact CG1-CG 4.34Å; V40-L44 WeakPolarHBondContact O-CB 3.48Å; V40-L44 WeakPolarHBondContact O-CG 3.24Å; V40-L44 PolarHBondContact O-N 2.95Å |
| 41 | A | 98.7 | Very high | 98.4 | Very high | 48 Ų | 48 | 99.4 Ų | 99.4 | 40% | 0.397 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.2 | -15.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | L37 K38 D39 K45 | L37-A41 VanDerWaalsContact O-CB 3.24Å; L37-A41 WeakPolarHBondContact O-CB 3.39Å; L37-A41 PolarHBondContact O-N 3.48Å; K38-A41 PolarHBondContact O-N 2.9Å; D39-A41 VanDerWaalsContact C-N 3.32Å; D39-A41 PolarHBondContact O-N 3.29Å; A41-K45 WeakPolarHBondContact O-CD 3.42Å; A41-K45 WeakPolarHBondContact O-CG 3.38Å |
| 42 | K | 98.6 | Very high | 98.3 | Very high | 117 Ų | 117 | 97.8 Ų | 97.8 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -84.2 | -49 | 168.6 | 177.5 | -168 | 164.7 | -72.9 | 0 | 110.4 | K38 D39 V40 L44 K45 E46 | K38-K42 PolarHBondContact O-N 3.43Å; D39-K42 CarbonylContact O-C 3.6Å; D39-K42 WeakPolarHBondContact O-CA 3.29Å; D39-K42 WeakPolarHBondContact O-CB 3.31Å; D39-K42 PolarHBondContact O-N 3.28Å; V40-K42 PolarHBondContact O-N 3.2Å; K42-L44 VanDerWaalsContact C-N 3.32Å; K42-L44 PolarHBondContact O-N 3.4Å; K42-K45 WeakPolarHBondContact O-CB 3.5Å; K42-K45 PolarHBondContact O-N 2.94Å; K42-E46 IonicContact NZ-OE2 3.7Å; K42-E46 PolarHBondContact NZ-OE2 3.16Å; K42-E46 PolarHBondContact O-N 3.46Å |
| 43 | E | 98.6 | Very high | 98.1 | Very high | 125 Ų | 125 | 97.7 Ų | 97.7 | 58% | 0.584 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.5 | -42.8 | 178.7 | -72.6 | -179.5 | -151.7 | 0 | 0 | 111.7 | D39 V40 K45 E46 V47 | D39-E43 PolarHBondContact O-N 3.4Å; V40-E43 PolarHBondContact O-N 3.14Å; E43-K45 VanDerWaalsContact C-N 3.26Å; E43-K45 PolarHBondContact O-N 2.75Å; E43-E46 WeakPolarHBondContact O-CB 3.38Å; E43-E46 PolarHBondContact O-N 2.95Å; E43-E46 VanDerWaalsContact O-N 3.12Å; E43-V47 WeakPolarHBondContact O-CG2 3.44Å; E43-V47 PolarHBondContact O-N 2.73Å |
| 44 | L | 98.8 | Very high | 97.9 | Very high | 111 Ų | 111 | 99.7 Ų | 99.7 | 58% | 0.581 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.8 | -31.6 | 175.2 | -71.3 | 173.2 | 0 | 0 | 0 | 113.1 | V40 K42 V48 | V40-L44 HydrophobicContact CG1-CD1 3.96Å; V40-L44 HydrophobicContact CG1-CG 4.34Å; V40-L44 WeakPolarHBondContact O-CB 3.48Å; V40-L44 WeakPolarHBondContact O-CG 3.24Å; V40-L44 PolarHBondContact O-N 2.95Å; K42-L44 VanDerWaalsContact C-N 3.32Å; K42-L44 PolarHBondContact O-N 3.4Å; L44-V48 WeakPolarHBondContact O-CB 3.42Å; L44-V48 VanDerWaalsContact O-CG2 3.26Å; L44-V48 WeakPolarHBondContact O-CG2 3.3Å; L44-V48 PolarHBondContact O-N 3.49Å |
| 45 | K | 98.3 | Very high | 97.6 | Very high | 159 Ų | 159 | 97.9 Ų | 97.9 | 69% | 0.691 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -74.8 | -34.5 | 174.1 | -72.5 | 176.8 | -179.9 | -177.5 | 0 | 112.5 | A41 K42 E43 H49 | A41-K45 WeakPolarHBondContact O-CD 3.42Å; A41-K45 WeakPolarHBondContact O-CG 3.38Å; K42-K45 WeakPolarHBondContact O-CB 3.5Å; K42-K45 PolarHBondContact O-N 2.94Å; E43-K45 VanDerWaalsContact C-N 3.26Å; E43-K45 PolarHBondContact O-N 2.75Å; K45-H49 VanDerWaalsContact O-CB 3.28Å; K45-H49 WeakPolarHBondContact O-CB 3.44Å; K45-H49 PolarHBondContact O-N 3.41Å |
| 46 | E | 98.6 | Very high | 97.1 | Very high | 104 Ų | 104 | 99.2 Ų | 99.2 | 49% | 0.486 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.2 | -48.5 | 173.9 | -155.5 | 163.7 | 146.1 | 0 | 0 | 109.6 | K42 E43 V48 H49 D50 | K42-E46 IonicContact NZ-OE2 3.7Å; K42-E46 PolarHBondContact NZ-OE2 3.16Å; K42-E46 PolarHBondContact O-N 3.46Å; E43-E46 WeakPolarHBondContact O-CB 3.38Å; E43-E46 PolarHBondContact O-N 2.95Å; E43-E46 VanDerWaalsContact O-N 3.12Å; E46-V48 PolarHBondContact O-N 3.49Å; E46-H49 PolarHBondContact O-N 3.12Å; E46-D50 PolarHBondContact O-N 3.33Å |
| 47 | V | 98.6 | Very high | 96.3 | Very high | 79 Ų | 79 | 101.9 Ų | 101.9 | 48% | 0.479 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.2 | -42.4 | 175.9 | 172.6 | 0 | 0 | 0 | 0 | 112.9 | E43 D50 I51 | E43-V47 WeakPolarHBondContact O-CG2 3.44Å; E43-V47 PolarHBondContact O-N 2.73Å; V47-D50 PolarHBondContact O-N 2.85Å; V47-I51 HydrophobicContact CG1-CD1 3.97Å; V47-I51 WeakPolarHBondContact O-CD1 3.26Å; V47-I51 VanDerWaalsContact O-CG1 3.27Å; V47-I51 WeakPolarHBondContact O-CG1 3.27Å; V47-I51 PolarHBondContact O-N 3.05Å |
| 48 | V | 98.1 | Very high | 95.4 | Very high | 79 Ų | 79 | 102.1 Ų | 102.1 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 174.8 | 168.1 | 0 | 0 | 0 | 0 | 111 | L44 E46 D50 I51 D52 | L44-V48 WeakPolarHBondContact O-CB 3.42Å; L44-V48 VanDerWaalsContact O-CG2 3.26Å; L44-V48 WeakPolarHBondContact O-CG2 3.3Å; L44-V48 PolarHBondContact O-N 3.49Å; E46-V48 PolarHBondContact O-N 3.49Å; V48-D50 VanDerWaalsContact C-N 3.35Å; V48-D50 PolarHBondContact O-N 2.81Å; V48-I51 PolarHBondContact O-N 3.15Å; V48-D52 VanDerWaalsContact O-CG 3.3Å; V48-D52 PolarHBondContact O-N 3.28Å |
| 49 | H | 97.9 | Very high | 93.8 | Very high | 120 Ų | 120 | 103.3 Ų | 103.3 | 56% | 0.556 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.6 | -36.8 | 177.5 | -177.4 | 39.5 | 0 | 0 | 0 | 112.9 | K45 E46 D52 T53 | K45-H49 VanDerWaalsContact O-CB 3.28Å; K45-H49 WeakPolarHBondContact O-CB 3.44Å; K45-H49 PolarHBondContact O-N 3.41Å; E46-H49 PolarHBondContact O-N 3.12Å; H49-D52 PolarHBondContact O-N 2.99Å; H49-T53 VanDerWaalsContact O-CB 3.3Å; H49-T53 WeakPolarHBondContact O-CB 3.35Å; H49-T53 PolarHBondContact O-N 3.04Å; H49-T53 PolarHBondContact O-OG1 3.33Å |
| 50 | D | 97.4 | Very high | 92.1 | Very high | 102 Ų | 102 | 106.2 Ų | 106.2 | 55% | 0.545 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.9 | -40.1 | 172.9 | -77.9 | -10.6 | 0 | 0 | 0 | 111.6 | E46 V47 V48 T53 L54 | E46-D50 PolarHBondContact O-N 3.33Å; V47-D50 PolarHBondContact O-N 2.85Å; V48-D50 VanDerWaalsContact C-N 3.35Å; V48-D50 PolarHBondContact O-N 2.81Å; D50-T53 PolarHBondContact O-N 2.99Å; D50-L54 VanDerWaalsContact O-CB 3.31Å; D50-L54 WeakPolarHBondContact O-CB 3.44Å; D50-L54 PolarHBondContact O-N 3.47Å |
| 51 | I | 96.7 | Very high | 89.9 | Confident | 93 Ų | 93 | 110.3 Ų | 110.3 | 48% | 0.477 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.8 | -48.3 | 174.4 | -70.2 | 164.2 | 0 | 0 | 0 | 110.5 | V47 V48 T53 L54 T55 | V47-I51 HydrophobicContact CG1-CD1 3.97Å; V47-I51 WeakPolarHBondContact O-CD1 3.26Å; V47-I51 VanDerWaalsContact O-CG1 3.27Å; V47-I51 WeakPolarHBondContact O-CG1 3.27Å; V47-I51 PolarHBondContact O-N 3.05Å; V48-I51 PolarHBondContact O-N 3.15Å; I51-T53 VanDerWaalsContact C-N 3.29Å; I51-T53 PolarHBondContact O-N 3.37Å; I51-L54 PolarHBondContact O-N 2.94Å; I51-T55 WeakPolarHBondContact O-CB 3.35Å; I51-T55 PolarHBondContact O-N 3.33Å; I51-T55 PolarHBondContact O-OG1 3.25Å |
| 52 | D | 95.9 | Very high | 87.8 | Confident | 99 Ų | 99 | 116.4 Ų | 116.4 | 53% | 0.529 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -59.6 | -41.2 | 177.8 | -70.1 | -24.4 | 0 | 0 | 0 | 111 | V48 H49 T55 G56 | V48-D52 VanDerWaalsContact O-CG 3.3Å; V48-D52 PolarHBondContact O-N 3.28Å; H49-D52 PolarHBondContact O-N 2.99Å; D52-T55 PolarHBondContact O-N 2.92Å; D52-G56 PolarHBondContact O-N 3.24Å |
| 53 | T | 95.2 | Very high | 85.7 | Confident | 78 Ų | 78 | 118.5 Ų | 118.5 | 48% | 0.479 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.5 | -46.1 | 177.7 | -58 | 0 | 0 | 0 | 0 | 111.6 | H49 D50 I51 T55 | H49-T53 VanDerWaalsContact O-CB 3.3Å; H49-T53 WeakPolarHBondContact O-CB 3.35Å; H49-T53 PolarHBondContact O-N 3.04Å; H49-T53 PolarHBondContact O-OG1 3.33Å; D50-T53 PolarHBondContact O-N 2.99Å; I51-T53 VanDerWaalsContact C-N 3.29Å; I51-T53 PolarHBondContact O-N 3.37Å; T53-T55 VanDerWaalsContact C-N 3.29Å; T53-T55 PolarHBondContact O-N 2.95Å |
| 54 | L | 94.8 | Very high | 83.6 | Confident | 127 Ų | 127 | 115.3 Ų | 115.3 | 67% | 0.665 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -67.8 | -29.1 | 177.6 | -178.4 | 60.5 | 0 | 0 | 0 | 112.7 | D50 I51 | D50-L54 VanDerWaalsContact O-CB 3.31Å; D50-L54 WeakPolarHBondContact O-CB 3.44Å; D50-L54 PolarHBondContact O-N 3.47Å; I51-L54 PolarHBondContact O-N 2.94Å |
| 55 | T | 91.1 | Very high | 81.8 | Confident | 68 Ų | 68 | 118.2 Ų | 118.2 | 42% | 0.417 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -90.4 | -24.8 | -177.9 | -48.5 | 0 | 0 | 0 | 0 | 112.3 | I51 D52 T53 D57 L58 | I51-T55 WeakPolarHBondContact O-CB 3.35Å; I51-T55 PolarHBondContact O-N 3.33Å; I51-T55 PolarHBondContact O-OG1 3.25Å; D52-T55 PolarHBondContact O-N 2.92Å; T53-T55 VanDerWaalsContact C-N 3.29Å; T53-T55 PolarHBondContact O-N 2.95Å; T55-D57 VanDerWaalsContact C-N 3.3Å; T55-D57 PolarHBondContact O-N 3.4Å; T55-L58 CarbonylContact O-C 3.56Å; T55-L58 WeakPolarHBondContact O-CA 3.45Å; T55-L58 VanDerWaalsContact O-CB 3.31Å; T55-L58 WeakPolarHBondContact O-CB 3.47Å; T55-L58 PolarHBondContact O-N 3.02Å |
| 56 | G | 88.8 | Confident | 79.8 | Confident | 56 Ų | 56 | 116.4 Ų | 116.4 | 58% | 0.577 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.4 | -31.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114 | D52 L58 | D52-G56 PolarHBondContact O-N 3.24Å; G56-L58 VanDerWaalsContact C-N 3.27Å |
| 57 | D | 81.9 | Confident | 77.3 | Confident | 149 Ų | 149 | 118.7 Ų | 118.7 | 80% | 0.797 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -18.9 | 170.5 | -79.1 | -13.2 | 0 | 0 | 0 | 112.4 | T55 Q59 | T55-D57 VanDerWaalsContact C-N 3.3Å; T55-D57 PolarHBondContact O-N 3.4Å; D57-Q59 VanDerWaalsContact C-N 3.31Å; D57-Q59 PolarHBondContact O-N 3.46Å; D57-Q59 VanDerWaalsContact O-N 3.1Å |
| 58 | L | 78.9 | Confident | 75.2 | Confident | 111 Ų | 111 | 120.5 Ų | 120.5 | 58% | 0.581 | 67% | 0.669 | S | S | * | * | | | trans | -84.6 | 73.4 | 173.9 | -56.2 | 178.2 | 0 | 0 | 0 | 109.9 | T55 G56 L60 | T55-L58 CarbonylContact O-C 3.56Å; T55-L58 WeakPolarHBondContact O-CA 3.45Å; T55-L58 VanDerWaalsContact O-CB 3.31Å; T55-L58 WeakPolarHBondContact O-CB 3.47Å; T55-L58 PolarHBondContact O-N 3.02Å; G56-L58 VanDerWaalsContact C-N 3.27Å; L58-L60 PolarHBondContact O-N 2.88Å |
| 59 | Q | 66.3 | Low | 73.1 | Confident | 174 Ų | 174 | 122 Ų | 122 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | | | trans | -62.5 | 89.5 | 164.5 | -77.5 | -174.2 | 72.8 | 0 | 0 | 109.8 | D57 E61 | D57-Q59 VanDerWaalsContact C-N 3.31Å; D57-Q59 PolarHBondContact O-N 3.46Å; D57-Q59 VanDerWaalsContact O-N 3.1Å; Q59-E61 PolarHBondContact O-N 3.15Å; Q59-E61 VanDerWaalsContact O-N 3.1Å |
| 60 | L | 62 | Low | 70.9 | Confident | 158 Ų | 158 | 125.6 Ų | 125.6 | 83% | 0.827 | 70% | 0.697 | S | S | * | * | | | trans | -68.4 | 97 | 164.5 | -76.8 | 163.2 | 0 | 0 | 0 | 107.6 | L58 E62 | L58-L60 PolarHBondContact O-N 2.88Å; L60-E62 PolarHBondContact O-N 2.58Å |
| 61 | E | 53.2 | Low | 68.8 | Low | 160 Ų | 160 | 126.2 Ų | 126.2 | 75% | 0.748 | 70% | 0.704 | S | S | * | * | | | trans | -60.3 | 100.3 | 178.8 | -64.4 | 177.1 | 106.2 | 0 | 0 | 110.5 | Q59 D63 G64 | Q59-E61 PolarHBondContact O-N 3.15Å; Q59-E61 VanDerWaalsContact O-N 3.1Å; E61-D63 PolarHBondContact O-N 2.84Å; E61-G64 PolarHBondContact O-N 3.48Å |
| 62 | E | 54.7 | Low | 66.4 | Low | 176 Ų | 176 | 128.7 Ų | 128.7 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -62.6 | -22.3 | 173.7 | -168.8 | 171.3 | -179.4 | 0 | 0 | 111.6 | L60 G64 | L60-E62 PolarHBondContact O-N 2.58Å; E62-G64 PolarHBondContact O-N 3.19Å |
| 63 | D | 53.3 | Low | 64.4 | Low | 160 Ų | 160 | 129.2 Ų | 129.2 | 86% | 0.856 | 73% | 0.725 | S | S | * | * | G | 310 helix | trans | -63.4 | -0.9 | 173.9 | -66.3 | -41.7 | 0 | 0 | 0 | 114.7 | E61 | E61-D63 PolarHBondContact O-N 2.84Š|
| 64 | G | 55.9 | Low | 62.6 | Low | 58 Ų | 58 | 132.7 Ų | 132.7 | 60% | 0.598 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -88.1 | -20.6 | -170.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | E61 E62 | E61-G64 PolarHBondContact O-N 3.48Å; E62-G64 PolarHBondContact O-N 3.19Å |
| 65 | L | 60.1 | Low | 60.3 | Low | 172 Ų | 172 | 133.1 Ų | 133.1 | 90% | 0.901 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -134.8 | -2.2 | -160.3 | -68.5 | 176.4 | 0 | 0 | 0 | 117.6 | | |
| 66 | T | 55.7 | Low | 58.1 | Low | 121 Ų | 121 | 135.2 Ų | 135.2 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -118.8 | -18.2 | -166.5 | 40.7 | 0 | 0 | 0 | 0 | 117.3 | | |
| 67 | D | 47.4 | Very low | 55.8 | Low | 152 Ų | 152 | 137.5 Ų | 137.5 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -115.4 | 62.4 | 173.5 | -166.7 | 22.8 | 0 | 0 | 0 | 114 | | |
| 68 | S | 53.4 | Low | 54 | Low | 118 Ų | 118 | 135.9 Ų | 135.9 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | | | trans | -146 | 47.6 | 158.4 | -156 | 0 | 0 | 0 | 0 | 111.9 | | |
| 69 | S | 53.5 | Low | 52.2 | Low | 110 Ų | 110 | 136.6 Ų | 136.6 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | | | trans | -115.8 | 32.7 | 169.7 | -72.7 | 0 | 0 | 0 | 0 | 112.2 | T71 | S69-T71 PolarHBondContact O-N 3.44Š|
| 70 | K | 52.1 | Low | 51.1 | Low | 196 Ų | 196 | 133.5 Ų | 133.5 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | | | trans | -78.9 | 99.1 | 173 | -159 | 167.6 | -166.6 | 165.7 | 0 | 109.5 | D72 | K70-D72 PolarHBondContact O-N 3.22Å; K70-D72 VanDerWaalsContact O-N 3.16Å |
| 71 | T | 53.8 | Low | 49.9 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | | | trans | -54.1 | 112.2 | -175.9 | 54.8 | 0 | 0 | 0 | 0 | 112.6 | S69 T73 | S69-T71 PolarHBondContact O-N 3.44Å; T71-T73 PolarHBondContact O-N 2.96Å |
| 72 | D | 47.3 | Very low | 49.4 | Very low | 146 Ų | 146 | 131.1 Ų | 131.1 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | trans | -76.8 | 77.3 | 166.9 | -176.7 | 23.5 | 0 | 0 | 0 | 110.5 | K70 L74 | K70-D72 PolarHBondContact O-N 3.22Å; K70-D72 VanDerWaalsContact O-N 3.16Å; D72-L74 VanDerWaalsContact C-N 3.28Å; D72-L74 PolarHBondContact O-N 3.01Å; D72-L74 VanDerWaalsContact O-N 3.07Å |
| 73 | T | 53.1 | Low | 48.6 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 67% | 0.669 | 78% | 0.778 | S | S | * | * | | | trans | -85.7 | 70.8 | 178.8 | -44.9 | 0 | 0 | 0 | 0 | 110.8 | T71 N75 | T71-T73 PolarHBondContact O-N 2.96Å; T73-N75 PolarHBondContact O-N 3.48Å |
| 74 | L | 57 | Low | 48.1 | Very low | 151 Ų | 151 | 126.6 Ų | 126.6 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | 56.2 | 57.5 | 149.5 | -47.6 | -178.8 | 0 | 0 | 0 | 117.4 | D72 S76 | D72-L74 VanDerWaalsContact C-N 3.28Å; D72-L74 PolarHBondContact O-N 3.01Å; D72-L74 VanDerWaalsContact O-N 3.07Å; L74-S76 VanDerWaalsContact C-N 3.32Å; L74-S76 PolarHBondContact O-N 2.89Å; L74-S76 VanDerWaalsContact O-N 3.1Å |
| 75 | N | 45.9 | Very low | 47.2 | Very low | 137 Ų | 137 | 129.2 Ų | 129.2 | 73% | 0.733 | 78% | 0.778 | S | S | * | * | | | trans | -83.6 | 76.5 | 163.3 | -168.5 | 2.7 | 0 | 0 | 0 | 112.4 | T73 S77 | T73-N75 PolarHBondContact O-N 3.48Å; N75-S77 PolarHBondContact O-N 3.3Å; N75-S77 PolarHBondContact OD1-OG 3.05Å |
| 76 | S | 45.1 | Very low | 46.3 | Very low | 112 Ų | 112 | 127.5 Ų | 127.5 | 78% | 0.783 | 78% | 0.775 | S | S | * | * | | | trans | -75.7 | 104.9 | 161.9 | -68.8 | 0 | 0 | 0 | 0 | 110.2 | L74 | L74-S76 VanDerWaalsContact C-N 3.32Å; L74-S76 PolarHBondContact O-N 2.89Å; L74-S76 VanDerWaalsContact O-N 3.1Å |
| 77 | S | 41.4 | Very low | 45.8 | Very low | 103 Ų | 103 | 126.8 Ų | 126.8 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | | | trans | -139.3 | 83.6 | 168 | -75.4 | 0 | 0 | 0 | 0 | 111.5 | N75 | N75-S77 PolarHBondContact O-N 3.3Å; N75-S77 PolarHBondContact OD1-OG 3.05Å |
| 78 | S | 44.2 | Very low | 45.2 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | | | trans | -67.3 | 142.4 | 168.1 | -54.6 | 0 | 0 | 0 | 0 | 111.2 | | |
| 79 | S | 40.9 | Very low | 44.6 | Very low | 126 Ų | 126 | 123.9 Ų | 123.9 | 88% | 0.881 | 77% | 0.773 | S | S | * | * | | | trans | -149.3 | 120.6 | 153 | -82.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 80 | S | 43.7 | Very low | 44.2 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | | | trans | -90.9 | 137 | -175.1 | -52.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 81 | T | 37.3 | Very low | 43.4 | Very low | 136 Ų | 136 | 123.3 Ų | 123.3 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | | | trans | -123.3 | 110.3 | 159.1 | -59.9 | 0 | 0 | 0 | 0 | 109.1 | T83 | T81-T83 PolarHBondContact O-N 3.41Š|
| 82 | T | 40.9 | Very low | 42.8 | Very low | 131 Ų | 131 | 126 Ų | 126 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | | | trans | -86.2 | 107.7 | -176.9 | -58 | 0 | 0 | 0 | 0 | 111.2 | | |
| 83 | T | 39.3 | Very low | 42.4 | Very low | 117 Ų | 117 | 127.2 Ų | 127.2 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | | | trans | -155.3 | 109.5 | 154.2 | 15.3 | 0 | 0 | 0 | 0 | 111.9 | T81 | T81-T83 PolarHBondContact O-N 3.41Š|
| 84 | T | 41.3 | Very low | 41.8 | Very low | 125 Ų | 125 | 129.4 Ų | 129.4 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | | | trans | 26.2 | 132.2 | 133.4 | -27.4 | 0 | 0 | 0 | 0 | 119.9 | | |
| 85 | T | 38.6 | Very low | 41 | Very low | 112 Ų | 112 | 130 Ų | 130 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | | | | 145.7 | 115.8 | 119.2 | -54.4 | 0 | 0 | 0 | 0 | 113.7 | | |
| 86 | T | 39.6 | Very low | 40.4 | Very low | 136 Ų | 136 | 130.9 Ų | 130.9 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | | | trans | 60.4 | 146.1 | 159.3 | 55.4 | 0 | 0 | 0 | 0 | 121.6 | | |
| 87 | A | 45.2 | Very low | 40.4 | Very low | 107 Ų | 107 | 131.2 Ų | 131.2 | 88% | 0.884 | 77% | 0.773 | S | S | * | * | | | trans | -87.1 | 132.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 88 | S | 36.3 | Very low | 40.3 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | | | trans | -147.9 | 115.1 | 156.1 | -172.2 | 0 | 0 | 0 | 0 | 105.1 | | |
| 89 | S | 40.4 | Very low | 40.1 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | | | | 71.1 | 113.5 | 64 | -175.2 | 0 | 0 | 0 | 0 | 112.9 | | |
| 90 | L | 44.7 | Very low | 39.9 | Very low | 152 Ų | 152 | 135.8 Ų | 135.8 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | | | trans | 74.3 | 169.2 | 156.7 | -158.1 | 55.3 | 0 | 0 | 0 | 118.5 | | |
| 91 | E | 34.5 | Very low | 39.8 | Very low | 143 Ų | 143 | 137.6 Ų | 137.6 | 67% | 0.668 | 77% | 0.774 | S | S | * | * | | | trans | 73.5 | 95.9 | 153.9 | 50.6 | -157 | 121.5 | 0 | 0 | 123.5 | | |
| 92 | K | 42.8 | Very low | 39.9 | Very low | 171 Ų | 171 | 141.2 Ų | 141.2 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | | 76.8 | 67.6 | 106.8 | -161.5 | -178 | -173.2 | 178 | 0 | 116.2 | K94 | K92-K94 VanDerWaalsContact C-N 3.26Å; K92-K94 PolarHBondContact O-N 2.92Å |
| 93 | L | 38.9 | Very low | 39.6 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | | | trans | -65 | 81.6 | 164 | -55.8 | -174.8 | 0 | 0 | 0 | 111.3 | L95 | L93-L95 VanDerWaalsContact C-N 3.33Å; L93-L95 PolarHBondContact O-N 3.3Å; L93-L95 VanDerWaalsContact O-N 3.11Å |
| 94 | K | 39.1 | Very low | 39.2 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 67% | 0.674 | 79% | 0.789 | S | S | * | * | | | trans | -84.1 | 72.2 | 178.8 | -170 | -163.4 | 173.7 | -155.2 | 0 | 110.5 | K92 F96 | K92-K94 VanDerWaalsContact C-N 3.26Å; K92-K94 PolarHBondContact O-N 2.92Å; K94-F96 HydrophobicContact CG-CD2 3.88Å; K94-F96 HydrophobicContact CG-CE2 4.35Å; K94-F96 PolarHBondContact O-N 3.12Å |
| 95 | L | 40 | Very low | 38.8 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | trans | -80.9 | 88.3 | 168.9 | -70.2 | 176.8 | 0 | 0 | 0 | 110.1 | L93 | L93-L95 VanDerWaalsContact C-N 3.33Å; L93-L95 PolarHBondContact O-N 3.3Å; L93-L95 VanDerWaalsContact O-N 3.11Å |
| 96 | F | 33.9 | Very low | 38.6 | Very low | 155 Ų | 155 | 149 Ų | 149 | 68% | 0.68 | 80% | 0.797 | S | S | * | * | | | trans | -97.7 | 125.1 | 155.5 | -86.1 | -101.3 | 0 | 0 | 0 | 107.7 | K94 | K94-F96 HydrophobicContact CG-CD2 3.88Å; K94-F96 HydrophobicContact CG-CE2 4.35Å; K94-F96 PolarHBondContact O-N 3.12Å |
| 97 | P | 45.9 | Very low | 38.7 | Very low | 118 Ų | 118 | 147.6 Ų | 147.6 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | trans | -64.8 | 146.8 | 151.7 | -15.4 | 31.3 | 0 | 0 | 0 | 109.3 | | |
| 98 | E | 38 | Very low | 38.2 | Very low | 164 Ų | 164 | 151.2 Ų | 151.2 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | | | trans | -85.4 | -168.6 | -178.2 | -136 | 77.2 | 133.2 | 0 | 0 | 111.6 | | |
| 99 | D | 40 | Very low | 38.4 | Very low | 142 Ų | 142 | 150.4 Ų | 150.4 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | | | trans | 67.7 | 78.8 | 171.3 | -61.5 | -35.2 | 0 | 0 | 0 | 118.6 | | |
| 100 | C | 37.7 | Very low | 38.3 | Very low | 135 Ų | 135 | 152 Ų | 152 | 91% | 0.912 | 79% | 0.794 | S | S | * | * | | | trans | -152 | 94.7 | 141.1 | -143.4 | 0 | 0 | 0 | 0 | 112.4 | | |
| 101 | I | 41.5 | Very low | 37.9 | Very low | 147 Ų | 147 | 150.7 Ų | 150.7 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | | | trans | -94 | 97.5 | -176.3 | -55.7 | 172.8 | 0 | 0 | 0 | 110.8 | | |
| 102 | F | 40.1 | Very low | 38.2 | Very low | 212 Ų | 212 | 149.5 Ų | 149.5 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | | | trans | -151.6 | 77.4 | 156.4 | -95.5 | -62.3 | 0 | 0 | 0 | 114.8 | | |
| 103 | K | 33.6 | Very low | 37.8 | Very low | 195 Ų | 195 | 149.5 Ų | 149.5 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | | | trans | -3.3 | 112.2 | 147.7 | -178.8 | -176.2 | -179.4 | 179.2 | 0 | 118 | | |
| 104 | T | 30.9 | Very low | 37.8 | Very low | 146 Ų | 146 | 149.9 Ų | 149.9 | 90% | 0.896 | 80% | 0.8 | S | S | * | * | | | trans | -160.9 | 161 | 138.1 | -77.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 105 | Q | 32.3 | Very low | 38 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 83% | 0.827 | 81% | 0.806 | S | S | * | * | | | trans | -137.5 | 139.4 | -154 | 173.2 | -175.4 | -5.2 | 0 | 0 | 112.5 | | |
| 106 | V | 34.8 | Very low | 38.3 | Very low | 130 Ų | 130 | 148.8 Ų | 148.8 | 79% | 0.788 | 80% | 0.803 | S | S | * | * | | | trans | 164.4 | 138.5 | 144.3 | 150.5 | 0 | 0 | 0 | 0 | 109.7 | | |
| 107 | P | 41.5 | Very low | 38.9 | Very low | 108 Ų | 108 | 144.8 Ų | 144.8 | 70% | 0.701 | 81% | 0.805 | S | S | * | * | | | trans | -96.9 | 152.8 | -174.3 | 37 | -35.3 | 0 | 0 | 0 | 114.7 | | |
| 108 | M | 35.8 | Very low | 39 | Very low | 182 Ų | 182 | 145.2 Ų | 145.2 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | -135.8 | 164 | 169.1 | -81 | -75.7 | 98.1 | 0 | 0 | 111.5 | | |
| 109 | S | 39.1 | Very low | 39.6 | Very low | 93 Ų | 93 | 145 Ų | 145 | 65% | 0.65 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 153.6 | -158.2 | 55.7 | 0 | 0 | 0 | 0 | 116.4 | | |
| 110 | P | 38.9 | Very low | 40.1 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -69 | 137 | 171.8 | 30.4 | -35 | 0 | 0 | 0 | 112.1 | | |
| 111 | V | 36.3 | Very low | 40.7 | Very low | 125 Ų | 125 | 144.3 Ų | 144.3 | 76% | 0.758 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -101 | 140.3 | 173.7 | 177.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 112 | P | 40.4 | Very low | 41.6 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 77% | 0.766 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 143.4 | -176.1 | -25.5 | 35.8 | 0 | 0 | 0 | 114.6 | H114 | P112-H114 PolarHBondContact O-N 2.71Š|
| 113 | I | 35 | Very low | 42.5 | Very low | 170 Ų | 170 | 144.3 Ų | 144.3 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 120.5 | 177.1 | -61.8 | 168.7 | 0 | 0 | 0 | 109.6 | | |
| 114 | H | 38.2 | Very low | 43.8 | Very low | 180 Ų | 180 | 143.2 Ų | 143.2 | 83% | 0.833 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -78 | 131.8 | 177.3 | -136.1 | -85 | 0 | 0 | 0 | 110.8 | P112 | P112-H114 PolarHBondContact O-N 2.71Š|
| 115 | Q | 44.8 | Very low | 45.3 | Very low | 172 Ų | 172 | 141.5 Ų | 141.5 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 143.4 | 174.3 | -68.5 | -168.9 | -8.2 | 0 | 0 | 111.4 | G117 | Q115-G117 PolarHBondContact O-N 2.9Š|
| 116 | P | 44.7 | Very low | 46.8 | Very low | 124 Ų | 124 | 140.1 Ų | 140.1 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | | | trans | -74.8 | 105.2 | 175.7 | 29.8 | -33.2 | 0 | 0 | 0 | 110.7 | V118 | P116-V118 PolarHBondContact O-N 2.73Š|
| 117 | G | 47.9 | Very low | 48.5 | Very low | 70 Ų | 70 | 139.1 Ų | 139.1 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | -68.2 | 116.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q115 L119 | Q115-G117 PolarHBondContact O-N 2.9Å; G117-L119 PolarHBondContact O-N 3.01Å |
| 118 | V | 48.4 | Very low | 49.9 | Very low | 127 Ų | 127 | 139.4 Ų | 139.4 | 77% | 0.77 | 78% | 0.784 | S | S | * | * | | | trans | -71.6 | 109.8 | 179.3 | 179.5 | 0 | 0 | 0 | 0 | 110.3 | P116 T120 | P116-V118 PolarHBondContact O-N 2.73Å; V118-T120 HydrophobicContact CG1-CG2 4.5Å; V118-T120 PolarHBondContact O-N 2.86Å; V118-T120 VanDerWaalsContact O-N 3.11Å |
| 119 | L | 48.8 | Very low | 51.4 | Low | 160 Ų | 160 | 136.3 Ų | 136.3 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | | | trans | -73.8 | 97.9 | 175.8 | -69.6 | 176.7 | 0 | 0 | 0 | 111.3 | G117 V121 | G117-L119 PolarHBondContact O-N 3.01Å; L119-V121 PolarHBondContact O-N 3.33Å; L119-V121 VanDerWaalsContact O-N 3.07Å |
| 120 | T | 50.8 | Low | 52.8 | Low | 129 Ų | 129 | 137.4 Ų | 137.4 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | -76.8 | 89.5 | 175.9 | 44.4 | 0 | 0 | 0 | 0 | 111.7 | V118 L122 | V118-T120 HydrophobicContact CG1-CG2 4.5Å; V118-T120 PolarHBondContact O-N 2.86Å; V118-T120 VanDerWaalsContact O-N 3.11Å; T120-L122 PolarHBondContact O-N 3.38Å |
| 121 | V | 51 | Low | 54.3 | Low | 133 Ų | 133 | 136.3 Ų | 136.3 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | | | trans | -67.2 | 97.8 | 174.5 | -178.8 | 0 | 0 | 0 | 0 | 110.2 | L119 K123 | L119-V121 PolarHBondContact O-N 3.33Å; L119-V121 VanDerWaalsContact O-N 3.07Å; V121-K123 PolarHBondContact O-N 3.1Å |
| 122 | L | 59.6 | Low | 55.9 | Low | 169 Ų | 169 | 135.7 Ų | 135.7 | 89% | 0.885 | 77% | 0.774 | S | S | * | * | | | trans | -68.8 | 91.6 | 176.6 | -173.2 | 67.5 | 0 | 0 | 0 | 110.5 | T120 K124 | T120-L122 PolarHBondContact O-N 3.38Å; L122-K124 PolarHBondContact O-N 3.5Å |
| 123 | K | 59.7 | Low | 56.9 | Low | 191 Ų | 191 | 141.1 Ų | 141.1 | 83% | 0.83 | 78% | 0.779 | S | S | * | * | | | trans | -67.6 | 91.2 | -175.6 | -169.5 | 176.6 | -177.2 | 177.8 | 0 | 111.7 | V121 | V121-K123 PolarHBondContact O-N 3.1Š|
| 124 | K | 60.4 | Low | 57.7 | Low | 172 Ų | 172 | 141.2 Ų | 141.2 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | -55.6 | 121.9 | 175 | -176.3 | 170.1 | 178.6 | 171.8 | 0 | 110 | L122 H126 | L122-K124 PolarHBondContact O-N 3.5Å; K124-H126 VanDerWaalsContact C-N 3.27Å; K124-H126 PolarHBondContact O-N 2.96Å |
| 125 | P | 63.3 | Low | 58.2 | Low | 109 Ų | 109 | 138.4 Ų | 138.4 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -72.9 | -15.1 | -166.7 | 26.4 | -35.3 | 0 | 0 | 0 | 114.7 | | |
| 126 | H | 64 | Low | 58.1 | Low | 149 Ų | 149 | 136.3 Ų | 136.3 | 69% | 0.69 | 77% | 0.771 | S | S | * | * | | | trans | -127.6 | 102.1 | 179.3 | -68.7 | 93 | 0 | 0 | 0 | 110.1 | K124 | K124-H126 VanDerWaalsContact C-N 3.27Å; K124-H126 PolarHBondContact O-N 2.96Å |
| 127 | P | 69.3 | Low | 58.1 | Low | 108 Ų | 108 | 138 Ų | 138 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 150.4 | 162.4 | 30.6 | -33.4 | 0 | 0 | 0 | 109.8 | | |
| 128 | P | 72.1 | Confident | 58 | Low | 114 Ų | 114 | 145.7 Ų | 145.7 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 149.8 | 173.9 | 29.1 | -34.6 | 0 | 0 | 0 | 110.8 | | |
| 129 | P | 67.3 | Low | 57.6 | Low | 117 Ų | 117 | 145.7 Ų | 145.7 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 147.5 | 175.8 | 27.7 | -34.7 | 0 | 0 | 0 | 111 | | |
| 130 | P | 67.4 | Low | 57.2 | Low | 116 Ų | 116 | 145.2 Ų | 145.2 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 145.7 | 176.9 | 27.9 | -34.7 | 0 | 0 | 0 | 110.9 | | |
| 131 | P | 71.5 | Confident | 56.6 | Low | 109 Ų | 109 | 148.3 Ų | 148.3 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 150.7 | 179.2 | 27.3 | -34.9 | 0 | 0 | 0 | 111.5 | R133 | P131-R133 PolarHBondContact O-N 3.16Š|
| 132 | P | 68.7 | Low | 56.1 | Low | 112 Ų | 112 | 147.7 Ų | 147.7 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 121.1 | 179.7 | -26 | 35 | 0 | 0 | 0 | 112.3 | H134 | P132-H134 PolarHBondContact O-N 3.01Å; P132-H134 VanDerWaalsContact O-N 3.08Å |
| 133 | R | 61 | Low | 55.3 | Low | 232 Ų | 232 | 147.1 Ų | 147.1 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | | | trans | -74.2 | 98.9 | 172.1 | -78.3 | -177.8 | 169.4 | 154.2 | -4 | 109.4 | P131 T135 | P131-R133 PolarHBondContact O-N 3.16Å; R133-T135 HydrophobicContact CB-CG2 4.39Å; R133-T135 PolarHBondContact O-N 3.18Å |
| 134 | H | 51.9 | Low | 54.5 | Low | 173 Ų | 173 | 144 Ų | 144 | 80% | 0.801 | 76% | 0.756 | S | S | * | * | | | trans | -70.8 | 75.1 | 162.9 | -72.2 | -97 | 0 | 0 | 0 | 109.7 | P132 T136 | P132-H134 PolarHBondContact O-N 3.01Å; P132-H134 VanDerWaalsContact O-N 3.08Å; H134-T136 PolarHBondContact O-N 3.26Å; H134-T136 VanDerWaalsContact O-N 3.1Å |
| 135 | T | 49.2 | Very low | 53.4 | Low | 120 Ų | 120 | 144 Ų | 144 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | -68 | 102.9 | 167.3 | 48.7 | 0 | 0 | 0 | 0 | 108.4 | R133 L137 | R133-T135 HydrophobicContact CB-CG2 4.39Å; R133-T135 PolarHBondContact O-N 3.18Å; T135-L137 PolarHBondContact O-N 3.24Å |
| 136 | T | 43.4 | Very low | 52.5 | Low | 129 Ų | 129 | 146.2 Ų | 146.2 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | | | trans | -62.9 | 118.6 | 164.8 | 40.9 | 0 | 0 | 0 | 0 | 108 | H134 R138 | H134-T136 PolarHBondContact O-N 3.26Å; H134-T136 VanDerWaalsContact O-N 3.1Å; T136-R138 PolarHBondContact O-N 2.95Å |
| 137 | L | 45 | Very low | 51.7 | Low | 159 Ų | 159 | 147 Ų | 147 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | trans | -63.6 | 103.8 | 175.1 | -172.3 | 76.8 | 0 | 0 | 0 | 107.9 | T135 T139 | T135-L137 PolarHBondContact O-N 3.24Å; L137-T139 PolarHBondContact O-N 3.1Å; L137-T139 VanDerWaalsContact O-N 3.1Å |
| 138 | R | 45 | Very low | 50.7 | Low | 231 Ų | 231 | 147.5 Ų | 147.5 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | | | trans | -65.3 | 106.5 | 164.8 | -83.6 | -71.5 | -156.2 | 133.5 | 6.1 | 106.7 | T136 E140 | T136-R138 PolarHBondContact O-N 2.95Å; R138-E140 PolarHBondContact O-N 2.78Å |
| 139 | T | 40.4 | Very low | 48.9 | Very low | 127 Ų | 127 | 150.1 Ų | 150.1 | 78% | 0.779 | 78% | 0.775 | S | S | * | * | | | trans | -59.3 | 120.6 | 167.4 | -53.7 | 0 | 0 | 0 | 0 | 108 | L137 E141 | L137-T139 PolarHBondContact O-N 3.1Å; L137-T139 VanDerWaalsContact O-N 3.1Å; T139-E141 PolarHBondContact O-N 2.68Å |
| 140 | E | 39.7 | Very low | 48 | Very low | 150 Ų | 150 | 150.1 Ų | 150.1 | 70% | 0.701 | 78% | 0.776 | S | S | * | * | | | trans | -78.2 | 104.9 | 178.9 | -160.2 | 162.6 | 86.7 | 0 | 0 | 108.2 | R138 H142 | R138-E140 PolarHBondContact O-N 2.78Å; E140-H142 PolarHBondContact O-N 3.1Å; E140-H142 IonicContact OE1-CD2 3.57Å; E140-H142 IonicContact OE1-CE1 2.73Å; E140-H142 IonicContact OE1-NE2 3.14Å; E140-H142 PolarHBondContact OE1-NE2 2.95Å |
| 141 | E | 39.1 | Very low | 46.8 | Very low | 195 Ų | 195 | 149.4 Ų | 149.4 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | | | trans | -75.3 | 76.3 | 179.4 | -168.1 | -177.7 | 129.9 | 0 | 0 | 109.9 | T139 N143 | T139-E141 PolarHBondContact O-N 2.68Å; E141-N143 PolarHBondContact O-N 3.4Å |
| 142 | H | 39.9 | Very low | 45.3 | Very low | 120 Ų | 120 | 152.7 Ų | 152.7 | 56% | 0.556 | 78% | 0.78 | S | S | * | * | | | trans | -63.9 | 132.7 | 169 | -83.5 | -70.1 | 0 | 0 | 0 | 110.1 | E140 I144 | E140-H142 PolarHBondContact O-N 3.1Å; E140-H142 IonicContact OE1-CD2 3.57Å; E140-H142 IonicContact OE1-CE1 2.73Å; E140-H142 IonicContact OE1-NE2 3.14Å; E140-H142 PolarHBondContact OE1-NE2 2.95Å; H142-I144 HydrophobicContact CB-CD1 4.26Å; H142-I144 HydrophobicContact CB-CG1 4.19Å; H142-I144 WeakPolarHBondContact O-CG1 3.41Å; H142-I144 PolarHBondContact O-N 2.82Å |
| 143 | N | 42.9 | Very low | 43.9 | Very low | 157 Ų | 157 | 153.1 Ų | 153.1 | 84% | 0.84 | 78% | 0.78 | S | S | * | * | | | trans | -66.1 | 97 | 176 | -174 | -49.4 | 0 | 0 | 0 | 109.6 | E141 | E141-N143 PolarHBondContact O-N 3.4Š|
| 144 | I | 42.4 | Very low | 42.8 | Very low | 125 Ų | 125 | 150.7 Ų | 150.7 | 64% | 0.641 | 78% | 0.784 | S | S | * | * | | | trans | -109 | 86.8 | -177.5 | -62.8 | 169.9 | 0 | 0 | 0 | 109.8 | H142 | H142-I144 HydrophobicContact CB-CD1 4.26Å; H142-I144 HydrophobicContact CB-CG1 4.19Å; H142-I144 WeakPolarHBondContact O-CG1 3.41Å; H142-I144 PolarHBondContact O-N 2.82Å |
| 145 | K | 37.8 | Very low | 42.4 | Very low | 171 Ų | 171 | 147.2 Ų | 147.2 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | trans | 76.4 | 121.4 | 146.4 | -58.4 | 164 | -171.6 | 165.9 | 0 | 118.1 | L147 | K145-L147 PolarHBondContact O-N 3.44Š|
| 146 | N | 44.1 | Very low | 41.8 | Very low | 157 Ų | 157 | 143.7 Ų | 143.7 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | | | trans | -42.7 | 116.9 | 140.5 | -66.4 | -78.9 | 0 | 0 | 0 | 111.4 | | |
| 147 | L | 47.6 | Very low | 41.7 | Very low | 165 Ų | 165 | 145.1 Ų | 145.1 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -173.8 | 159 | 145.3 | -120.8 | 66.6 | 0 | 0 | 0 | 108.3 | K145 | K145-L147 PolarHBondContact O-N 3.44Š|
| 148 | P | 48.3 | Very low | 41.4 | Very low | 119 Ų | 119 | 145.5 Ų | 145.5 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | -84.7 | 161.4 | -171.3 | 33.3 | -32.8 | 0 | 0 | 0 | 114.7 | | |
| 149 | H | 35.2 | Very low | 41.2 | Very low | 168 Ų | 168 | 140.6 Ų | 140.6 | 78% | 0.778 | 77% | 0.77 | S | S | * | * | | | trans | -35.9 | 156.2 | 170.5 | -73.4 | -75.7 | 0 | 0 | 0 | 116.9 | | |
| 150 | P | 47.5 | Very low | 41.3 | Very low | 118 Ų | 118 | 143.8 Ų | 143.8 | 77% | 0.766 | 77% | 0.773 | S | S | * | * | | | cis | -138.5 | 131.6 | 35 | 36.9 | -16.8 | 0 | 0 | 0 | 119.6 | | |
| 151 | T | 41.6 | Very low | 41.2 | Very low | 100 Ų | 100 | 141.4 Ų | 141.4 | 61% | 0.613 | 78% | 0.779 | S | S | * | * | | | | 32 | 99.6 | 126.3 | -43.3 | 0 | 0 | 0 | 0 | 119.6 | | |
| 152 | L | 40.4 | Very low | 41.3 | Very low | 178 Ų | 178 | 140 Ų | 140 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | | | trans | -135.3 | 82.4 | 145.4 | -77.3 | -179 | 0 | 0 | 0 | 109.7 | | |
| 153 | V | 39.3 | Very low | 41.3 | Very low | 121 Ų | 121 | 138 Ų | 138 | 73% | 0.733 | 79% | 0.79 | S | S | * | * | | | trans | -103.6 | 99.9 | 176 | -176.7 | 0 | 0 | 0 | 0 | 109.3 | S155 | V153-S155 PolarHBondContact O-N 3.43Š|
| 154 | L | 39.1 | Very low | 41.3 | Very low | 182 Ų | 182 | 135.4 Ų | 135.4 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | | | trans | -82 | 68.6 | 175.4 | -157.8 | 75.4 | 0 | 0 | 0 | 110.3 | | |
| 155 | S | 42.1 | Very low | 41.5 | Very low | 99 Ų | 99 | 137.1 Ų | 137.1 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | | | trans | -74.2 | 144.6 | -177.7 | -165.9 | 0 | 0 | 0 | 0 | 112.6 | V153 | V153-S155 PolarHBondContact O-N 3.43Š|
| 156 | G | 36.6 | Very low | 42.4 | Very low | 47 Ų | 47 | 136.6 Ų | 136.6 | 49% | 0.485 | 80% | 0.798 | S | S | . | * | | | trans | -73 | 137.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | M158 | G156-M158 PolarHBondContact O-N 2.85Š|
| 157 | N | 42.1 | Very low | 42.1 | Very low | 158 Ų | 158 | 138.5 Ų | 138.5 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | 6.1 | 90.3 | 145.9 | 61 | -21.4 | 0 | 0 | 0 | 118.6 | | |
| 158 | M | 39 | Very low | 41.8 | Very low | 168 Ų | 168 | 136.8 Ų | 136.8 | 83% | 0.828 | 79% | 0.785 | S | S | * | * | | | trans | -117.2 | 93.5 | 151.4 | 54.3 | 175.7 | 65.4 | 0 | 0 | 111.3 | G156 K160 | G156-M158 PolarHBondContact O-N 2.85Å; M158-K160 PolarHBondContact O-N 3.31Å |
| 159 | S | 40.6 | Very low | 41.2 | Very low | 127 Ų | 127 | 135.3 Ų | 135.3 | 89% | 0.888 | 79% | 0.791 | S | S | * | * | | | trans | -67.7 | 100.6 | 179.4 | -56.1 | 0 | 0 | 0 | 0 | 111.3 | | |
| 160 | K | 41 | Very low | 41.2 | Very low | 194 Ų | 194 | 130.9 Ų | 130.9 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | | | trans | -127.6 | 123.1 | 170.6 | -162 | 169.8 | -176.3 | 177.7 | 0 | 109.6 | M158 N162 | M158-K160 PolarHBondContact O-N 3.31Å; K160-N162 PolarHBondContact O-N 2.93Å |
| 161 | A | 37.6 | Very low | 40.8 | Very low | 101 Ų | 101 | 131 Ų | 131 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | | | trans | -73.5 | 127.5 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 162 | N | 41.3 | Very low | 40.9 | Very low | 165 Ų | 165 | 135.4 Ų | 135.4 | 88% | 0.882 | 80% | 0.8 | S | S | * | * | | | trans | -91.5 | 106.4 | 164.5 | -80.7 | -27.1 | 0 | 0 | 0 | 109.1 | K160 S164 | K160-N162 PolarHBondContact O-N 2.93Å; N162-S164 PolarHBondContact O-N 3.4Å |
| 163 | G | 40.8 | Very low | 41.7 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 81% | 0.814 | 79% | 0.79 | S | S | * | * | | | trans | -73.1 | 107.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 164 | S | 42.6 | Very low | 41.4 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | trans | -74.8 | 124.8 | 176.6 | -171.9 | 0 | 0 | 0 | 0 | 110.8 | N162 L166 | N162-S164 PolarHBondContact O-N 3.4Å; S164-L166 PolarHBondContact O-N 3.49Å; S164-L166 VanDerWaalsContact O-N 3.11Å |
| 165 | L | 47 | Very low | 41.3 | Very low | 162 Ų | 162 | 135.4 Ų | 135.4 | 85% | 0.848 | 79% | 0.794 | S | S | * | * | | | trans | -84 | 83.5 | -179.3 | -160.5 | 169.2 | 0 | 0 | 0 | 109.7 | | |
| 166 | L | 56.1 | Low | 41.8 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -95.3 | 134.1 | 171.9 | -66.3 | -178.4 | 0 | 0 | 0 | 111.3 | S164 | S164-L166 PolarHBondContact O-N 3.49Å; S164-L166 VanDerWaalsContact O-N 3.11Å |
| 167 | R | 39.3 | Very low | 41.5 | Very low | 198 Ų | 198 | 140.6 Ų | 140.6 | 75% | 0.747 | 81% | 0.809 | S | S | * | * | | | trans | -110.2 | 145.9 | -170.3 | 179.5 | -172.5 | 168.2 | -108.3 | -4.4 | 110.8 | | |
| 168 | N | 40.1 | Very low | 41.2 | Very low | 129 Ų | 129 | 140.6 Ų | 140.6 | 69% | 0.69 | 80% | 0.801 | S | S | * | * | S | Bend | trans | 80.5 | 138.3 | 179.1 | -48.2 | -49.8 | 0 | 0 | 0 | 114.8 | | |
| 169 | G | 36.1 | Very low | 41.1 | Very low | 87 Ų | 87 | 137.8 Ų | 137.8 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | | | trans | -95.5 | 168.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | | |
| 170 | G | 35.4 | Very low | 40.9 | Very low | 75 Ų | 75 | 137.5 Ų | 137.5 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | | | trans | -154.9 | 161.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 171 | V | 38.4 | Very low | 40.4 | Very low | 121 Ų | 121 | 137.2 Ų | 137.2 | 73% | 0.733 | 78% | 0.777 | S | S | * | * | | | trans | -132 | 152.8 | -161.1 | -148.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 172 | F | 44.6 | Very low | 40.2 | Very low | 193 Ų | 193 | 137 Ų | 137 | 85% | 0.846 | 77% | 0.769 | S | S | * | * | | | trans | 81.7 | 155.3 | 164.1 | -64.5 | -57.6 | 0 | 0 | 0 | 118.9 | | |
| 173 | P | 57 | Low | 39.7 | Very low | 112 Ų | 112 | 134.3 Ų | 134.3 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -135 | 179.2 | -140.2 | 44.3 | -28.4 | 0 | 0 | 0 | 116 | | |
| 174 | L | 32.9 | Very low | 39.7 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | | | trans | -151.5 | 170.2 | 150.2 | -148.3 | 49.9 | 0 | 0 | 0 | 114.6 | | |
| 175 | K | 37.8 | Very low | 40 | Very low | 192 Ų | 192 | 138 Ų | 138 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | | | trans | -83.8 | 162.2 | -167.7 | -87.9 | 176.2 | 171 | 173.4 | 0 | 115.5 | | |
| 176 | P | 52.6 | Low | 39.5 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 74% | 0.74 | 76% | 0.758 | S | S | * | * | | | trans | -89.6 | 168.1 | 166.5 | 37.6 | -35.8 | 0 | 0 | 0 | 114.3 | | |
| 177 | N | 29.4 | Very low | 38.5 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | -141.8 | 142.4 | 158.9 | -108.6 | -115.2 | 0 | 0 | 0 | 106.2 | | |
| 178 | K | 36.3 | Very low | 38.2 | Very low | 157 Ų | 157 | 135.1 Ų | 135.1 | 68% | 0.683 | 77% | 0.765 | S | S | * | * | | | cis | 64 | 144.2 | 49.2 | -67.6 | -177.7 | 147.1 | -82.2 | 0 | 112.3 | | |
| 179 | D | 35.6 | Very low | 37.8 | Very low | 109 Ų | 109 | 134.4 Ų | 134.4 | 58% | 0.583 | 77% | 0.77 | S | S | * | * | | | cis | -167.3 | 155.5 | -12.3 | -86.9 | -24.3 | 0 | 0 | 0 | 103.9 | | |
| 180 | L | 36.7 | Very low | 37.5 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 63% | 0.634 | 76% | 0.759 | S | S | * | * | | | cis | -168.5 | 163.2 | 3.6 | -143.1 | 51 | 0 | 0 | 0 | 109.4 | | |
| 181 | F | 31.5 | Very low | 37.4 | Very low | 188 Ų | 188 | 138.7 Ų | 138.7 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | | | trans | 64.3 | 167 | 156.1 | -68.6 | -44.5 | 0 | 0 | 0 | 120 | | |
| 182 | S | 31.8 | Very low | 37 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 68% | 0.678 | 77% | 0.765 | S | S | * | * | | | cis | -169.4 | 171.8 | -22.7 | 174 | 0 | 0 | 0 | 0 | 111.2 | | |
| 183 | S | 31.3 | Very low | 36.5 | Very low | 109 Ų | 109 | 136.9 Ų | 136.9 | 76% | 0.762 | 76% | 0.762 | S | S | * | * | | | trans | 98.5 | 100.2 | 145 | -52.5 | 0 | 0 | 0 | 0 | 121.1 | | |
| 184 | T | 41.4 | Very low | 35.4 | Very low | 128 Ų | 128 | 139 Ų | 139 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | | | trans | -77.6 | 156.5 | 143.1 | 23.4 | 0 | 0 | 0 | 0 | 110.9 | | |
| 185 | P | 49.7 | Very low | 35.5 | Very low | 128 Ų | 128 | 139 Ų | 139 | 83% | 0.831 | 76% | 0.759 | S | S | * | * | | | | -145.8 | -164.4 | 96.6 | 39.1 | -21.2 | 0 | 0 | 0 | 113.8 | | |
| 186 | C | 35.3 | Very low | 35.2 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 64% | 0.642 | 76% | 0.762 | S | S | * | * | | | trans | -133.4 | 150.5 | -163.2 | -47 | 0 | 0 | 0 | 0 | 115.5 | | |
| 187 | F | 35.3 | Very low | 34.4 | Very low | 199 Ų | 199 | 139 Ų | 139 | 87% | 0.873 | 77% | 0.766 | S | S | * | * | | | trans | 66 | 156.2 | 155.4 | -61.8 | -61.2 | 0 | 0 | 0 | 123.2 | | |
| 188 | I | 33.6 | Very low | 34.5 | Very low | 166 Ų | 166 | 135.9 Ų | 135.9 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | | | trans | 91.8 | 130.2 | 175.1 | -59.5 | 171.5 | 0 | 0 | 0 | 113 | | |
| 189 | S | 30.6 | Very low | 34.7 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | | | cis | -136.7 | -168 | 5.3 | -154.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 190 | G | 31 | Very low | 34.9 | Very low | 64 Ų | 64 | 138 Ų | 138 | 66% | 0.66 | 79% | 0.788 | S | S | * | * | | | trans | -73.9 | -171.9 | 153.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 191 | E | 32.3 | Very low | 35 | Very low | 189 Ų | 189 | 138.5 Ų | 138.5 | 88% | 0.883 | 80% | 0.799 | S | S | * | * | | | cis | -157.6 | -179.1 | 8.7 | 63.1 | -154.7 | 129.8 | 0 | 0 | 110.9 | | |
| 192 | S | 31 | Very low | 35.4 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | | | trans | 77.1 | 107 | 173.1 | -158.2 | 0 | 0 | 0 | 0 | 119.7 | | |
| 193 | E | 32.5 | Very low | 35.8 | Very low | 168 Ų | 168 | 139 Ų | 139 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | | | trans | 34 | 103.7 | 131.4 | -166.7 | 177.5 | 170.1 | 0 | 0 | 121.2 | | |
| 194 | M | 34 | Very low | 36.4 | Very low | 155 Ų | 155 | 139.1 Ų | 139.1 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | | | | -168.4 | 170.9 | 119.3 | -164.2 | 46.3 | 70 | 0 | 0 | 110.6 | | |
| 195 | Q | 35.2 | Very low | 36.8 | Very low | 176 Ų | 176 | 144.2 Ų | 144.2 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | | | trans | -79 | 144.4 | -179.7 | -52.5 | 167.9 | 11.4 | 0 | 0 | 113.2 | | |
| 196 | E | 32.2 | Very low | 36.6 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | | | | -163.5 | 159.4 | 125.9 | -166.5 | 154 | 105.6 | 0 | 0 | 112.3 | | |
| 197 | S | 35.3 | Very low | 36.9 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | -53.9 | 142.2 | 178.5 | -50.5 | 0 | 0 | 0 | 0 | 116.5 | | |
| 198 | G | 32.3 | Very low | 37.6 | Very low | 75 Ų | 75 | 142.5 Ų | 142.5 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | | | trans | -164.5 | 92.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 199 | L | 39.2 | Very low | 38.1 | Very low | 184 Ų | 184 | 141.9 Ų | 141.9 | 96% | 0.963 | 80% | 0.804 | S | S | * | * | | | trans | -86.6 | 112.7 | -175.8 | -67.3 | 172.9 | 0 | 0 | 0 | 112.4 | | |
| 200 | V | 40 | Very low | 38.7 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | | | trans | -132.5 | 139.1 | 164.5 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | T202 | V200-T202 PolarHBondContact O-N 2.9Š|
| 201 | P | 38.6 | Very low | 39.3 | Very low | 133 Ų | 133 | 152.3 Ų | 152.3 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | | | trans | -76.1 | 109.3 | -165.8 | -17.1 | 32.7 | 0 | 0 | 0 | 114.1 | | |
| 202 | T | 41.7 | Very low | 39.6 | Very low | 139 Ų | 139 | 152.2 Ų | 152.2 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 131.3 | 169.4 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | V200 | V200-T202 PolarHBondContact O-N 2.9Š|
| 203 | L | 39.6 | Very low | 40.2 | Very low | 155 Ų | 155 | 154.5 Ų | 154.5 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 142.6 | 177 | -170.9 | 71.3 | 0 | 0 | 0 | 111.8 | R205 | L203-R205 PolarHBondContact O-N 3.02Š|
| 204 | P | 43.8 | Very low | 40.6 | Very low | 113 Ų | 113 | 154.7 Ų | 154.7 | 73% | 0.734 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 125.3 | -176.8 | -28.2 | 36.4 | 0 | 0 | 0 | 114.1 | | |
| 205 | R | 49.5 | Very low | 40.6 | Very low | 234 Ų | 234 | 154.5 Ų | 154.5 | 88% | 0.883 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 132.1 | 173.7 | -171.8 | -179.4 | -169.2 | 169.7 | 3.9 | 109.8 | L203 M207 | L203-R205 PolarHBondContact O-N 3.02Å; R205-M207 PolarHBondContact O-N 3.45Å |
| 206 | P | 45.9 | Very low | 40.9 | Very low | 118 Ų | 118 | 155.8 Ų | 155.8 | 77% | 0.766 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 136.3 | 178.2 | 25.1 | -33.4 | 0 | 0 | 0 | 111.3 | | |
| 207 | M | 42.1 | Very low | 41 | Very low | 155 Ų | 155 | 152 Ų | 152 | 76% | 0.764 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 134.3 | -179.7 | -78.2 | -83.9 | -75.7 | 0 | 0 | 112 | R205 L209 | R205-M207 PolarHBondContact O-N 3.45Å; M207-L209 PolarHBondContact O-N 3.32Å |
| 208 | P | 48.1 | Very low | 41.2 | Very low | 113 Ų | 113 | 152.9 Ų | 152.9 | 73% | 0.734 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 120.6 | 163.6 | -18.2 | 31.7 | 0 | 0 | 0 | 109.8 | L210 | P208-L210 PolarHBondContact O-N 3.14Š|
| 209 | L | 45.6 | Very low | 41.3 | Very low | 153 Ų | 153 | 158.8 Ų | 158.8 | 80% | 0.801 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 122 | 176.5 | -66.8 | 174.1 | 0 | 0 | 0 | 110.1 | M207 R211 | M207-L209 PolarHBondContact O-N 3.32Å; L209-R211 PolarHBondContact O-N 3.09Å |
| 210 | L | 43.2 | Very low | 41.2 | Very low | 164 Ų | 164 | 154.3 Ų | 154.3 | 86% | 0.859 | 81% | 0.808 | S | S | * | * | | | trans | -60.1 | 111.4 | 170.8 | -80.4 | 84.7 | 0 | 0 | 0 | 109.2 | P208 H212 | P208-L210 PolarHBondContact O-N 3.14Å; L210-H212 PolarHBondContact O-N 3.19Å |
| 211 | R | 43 | Very low | 41.2 | Very low | 232 Ų | 232 | 154.2 Ų | 154.2 | 88% | 0.875 | 81% | 0.81 | S | S | * | * | | | trans | -79.6 | 112.9 | 163.2 | -76.6 | -167 | 143.5 | 81.3 | 4.3 | 108.2 | L209 | L209-R211 PolarHBondContact O-N 3.09Š|
| 212 | H | 38.2 | Very low | 41.5 | Very low | 188 Ų | 188 | 151.4 Ų | 151.4 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | | | trans | -62.3 | 140.9 | -179.3 | -163.1 | 81.4 | 0 | 0 | 0 | 110.9 | L210 | L210-H212 PolarHBondContact O-N 3.19Š|
| 213 | E | 43.2 | Very low | 41.5 | Very low | 155 Ų | 155 | 156.8 Ų | 156.8 | 72% | 0.724 | 81% | 0.811 | S | S | * | * | | | trans | -79.9 | 160 | 179.6 | -156.7 | -161.1 | 95.7 | 0 | 0 | 111.2 | | |
| 214 | K | 41 | Very low | 41.7 | Very low | 173 Ų | 173 | 158.1 Ų | 158.1 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | | | trans | 60.8 | 97.4 | 151.1 | -174.5 | -165.9 | 169.9 | -172.2 | 0 | 117.4 | | |
| 215 | N | 35.8 | Very low | 41.8 | Very low | 150 Ų | 150 | 160.3 Ų | 160.3 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | | | | -136.5 | 142.2 | 114 | 53 | 2 | 0 | 0 | 0 | 110.8 | | |
| 216 | K | 40.4 | Very low | 41.9 | Very low | 204 Ų | 204 | 160 Ų | 160 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | | | trans | -93.8 | 123.1 | -177.8 | -73.6 | 168.4 | 175.7 | -88.3 | 0 | 109.2 | | |
| 217 | C | 34.6 | Very low | 42.2 | Very low | 112 Ų | 112 | 159.9 Ų | 159.9 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | | | trans | -109.5 | 148.1 | 160.3 | -69.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 218 | P | 39.5 | Very low | 43 | Very low | 134 Ų | 134 | 160.6 Ų | 160.6 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | | | trans | -61.7 | 140.5 | -175.7 | -25 | 35.7 | 0 | 0 | 0 | 113.7 | A220 | P218-A220 PolarHBondContact O-N 3.33Š|
| 219 | K | 34.1 | Very low | 43.5 | Very low | 200 Ų | 200 | 163.8 Ų | 163.8 | 87% | 0.87 | 80% | 0.8 | S | S | * | * | | | trans | -83.4 | 97.9 | -178.3 | -176.9 | 122.9 | 177.3 | 177.1 | 0 | 111.1 | | |
| 220 | A | 36.4 | Very low | 44.5 | Very low | 89 Ų | 89 | 165.8 Ų | 165.8 | 74% | 0.736 | 80% | 0.797 | S | S | * | * | | | trans | -64.9 | 130.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P218 | P218-A220 PolarHBondContact O-N 3.33Š|
| 221 | P | 40.2 | Very low | 45.6 | Very low | 124 Ų | 124 | 163.5 Ų | 163.5 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | trans | -82.8 | 136.4 | -176.8 | 31.4 | -33.7 | 0 | 0 | 0 | 112.4 | | |
| 222 | G | 45.5 | Very low | 47.1 | Very low | 75 Ų | 75 | 162.8 Ų | 162.8 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | | | trans | 79.9 | 79.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 223 | R | 41.6 | Very low | 48.2 | Very low | 251 Ų | 251 | 163.2 Ų | 163.2 | 95% | 0.947 | 79% | 0.786 | S | S | * | * | | | trans | -132.8 | 120 | 134.6 | -71.7 | -162.5 | 179.3 | -169.4 | 1.9 | 110 | | |
| 224 | E | 43.3 | Very low | 49.4 | Very low | 183 Ų | 183 | 159.9 Ų | 159.9 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | | | trans | -73.8 | 161.4 | 172.7 | -175.4 | 177.5 | -152.2 | 0 | 0 | 110.8 | R226 | E224-R226 VanDerWaalsContact C-N 3.34Å; E224-R226 PolarHBondContact O-N 3.07Å |
| 225 | H | 46.3 | Very low | 50.9 | Low | 160 Ų | 160 | 160.8 Ų | 160.8 | 74% | 0.741 | 79% | 0.787 | S | S | * | * | | | trans | -65.3 | 85.3 | 176 | 178.8 | -91.6 | 0 | 0 | 0 | 111.7 | E227 | H225-E227 PolarHBondContact O-N 3.24Å; H225-E227 VanDerWaalsContact O-N 3.17Å |
| 226 | R | 52.2 | Low | 52.6 | Low | 227 Ų | 227 | 163 Ų | 163 | 86% | 0.857 | 79% | 0.79 | S | S | * | * | | | trans | -83.5 | 90.6 | -178.5 | -161.1 | -176.4 | -154.7 | -167.1 | 9.7 | 111.7 | E224 | E224-R226 VanDerWaalsContact C-N 3.34Å; E224-R226 PolarHBondContact O-N 3.07Å |
| 227 | E | 52.3 | Low | 54.2 | Low | 115 Ų | 115 | 157.6 Ų | 157.6 | 54% | 0.537 | 77% | 0.774 | S | S | . | * | | | trans | -53.7 | 141.8 | 167.6 | -74.5 | -160.1 | 151.1 | 0 | 0 | 111.9 | H225 | H225-E227 PolarHBondContact O-N 3.24Å; H225-E227 VanDerWaalsContact O-N 3.17Å |
| 228 | R | 58.5 | Low | 55.9 | Low | 170 Ų | 170 | 160.3 Ų | 160.3 | 64% | 0.642 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 61.7 | 81.9 | 174.5 | -56.8 | 175.3 | -161.6 | 71.8 | 12.9 | 113.2 | R230 | R228-R230 PolarHBondContact O-N 3Š|
| 229 | E | 58 | Low | 57.6 | Low | 180 Ų | 180 | 163.4 Ų | 163.4 | 84% | 0.841 | 77% | 0.771 | S | S | * | * | | | trans | -53.2 | 107.6 | 157.7 | 179.6 | 164.7 | -148.8 | 0 | 0 | 109.7 | | |
| 230 | R | 68.1 | Low | 59.8 | Low | 196 Ų | 196 | 162.1 Ų | 162.1 | 74% | 0.74 | 77% | 0.768 | S | S | * | * | | | trans | -92.5 | 110.6 | 166 | -71.5 | -178.6 | 175.9 | 85.1 | -10.7 | 106.9 | R228 R232 | R228-R230 PolarHBondContact O-N 3Å; R230-R232 PolarHBondContact O-N 3.29Å |
| 231 | V | 65.3 | Low | 61.7 | Low | 115 Ų | 115 | 161.1 Ų | 161.1 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | | | trans | -55 | 112.1 | 169.6 | 180 | 0 | 0 | 0 | 0 | 107.8 | | |
| 232 | R | 74.4 | Confident | 63.1 | Low | 218 Ų | 218 | 163.4 Ų | 163.4 | 82% | 0.823 | 76% | 0.76 | S | S | * | * | | | trans | -96.5 | 112.5 | 170.1 | -60.7 | -178.8 | 79.9 | 100.8 | -4 | 105.9 | R230 S234 | R230-R232 PolarHBondContact O-N 3.29Å; R232-S234 PolarHBondContact O-N 2.71Å |
| 233 | F | 61 | Low | 64.4 | Low | 196 Ų | 196 | 162.8 Ų | 162.8 | 86% | 0.86 | 74% | 0.743 | S | S | * | * | | | trans | -57.9 | 114.8 | 169.3 | -72.6 | -85.9 | 0 | 0 | 0 | 108.6 | E235 | F233-E235 PolarHBondContact O-N 3.46Š|
| 234 | S | 69.6 | Low | 65.5 | Low | 85 Ų | 85 | 154.3 Ų | 154.3 | 59% | 0.594 | 72% | 0.72 | S | S | * | * | | | trans | -78.5 | 109.3 | 166.8 | 50.7 | 0 | 0 | 0 | 0 | 107.7 | R232 K236 | R232-S234 PolarHBondContact O-N 2.71Å; S234-K236 PolarHBondContact O-N 2.88Å |
| 235 | E | 72.3 | Confident | 66.8 | Low | 193 Ų | 193 | 151 Ų | 151 | 90% | 0.902 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -59.1 | 2.7 | 179.6 | -159.8 | 176.7 | 171.1 | 0 | 0 | 114.5 | F233 | F233-E235 PolarHBondContact O-N 3.46Š|
| 236 | K | 71.6 | Confident | 67.7 | Low | 197 Ų | 197 | 146.6 Ų | 146.6 | 86% | 0.857 | 70% | 0.695 | S | S | * | * | | | trans | -114.1 | 47.3 | -179.6 | -57 | -165 | 177.6 | -166.5 | 0 | 111.8 | S234 Q238 | S234-K236 PolarHBondContact O-N 2.88Å; K236-Q238 PolarHBondContact O-N 2.93Å |
| 237 | V | 73.1 | Confident | 68.1 | Low | 90 Ų | 90 | 140.8 Ų | 140.8 | 55% | 0.545 | 68% | 0.681 | S | S | . | * | | | trans | -74.4 | 100 | 156.2 | -88.4 | 0 | 0 | 0 | 0 | 107.7 | Y239 | V237-Y239 HydrophobicContact CB-CD2 4.47Å; V237-Y239 HydrophobicContact CB-CE2 3.99Å; V237-Y239 HydrophobicContact CG2-CD2 4.38Å; V237-Y239 HydrophobicContact CG2-CE2 3.56Å; V237-Y239 VanDerWaalsContact O-CD2 3.32Å; V237-Y239 WeakPolarHBondContact O-CD2 3.4Å; V237-Y239 PolarHBondContact O-N 3.17Å; V237-Y239 VanDerWaalsContact O-N 3.09Å |
| 238 | Q | 71.3 | Confident | 68.5 | Low | 169 Ų | 169 | 141.8 Ų | 141.8 | 79% | 0.79 | 69% | 0.689 | S | S | * | * | | | trans | -77.4 | 95 | 173 | -175.6 | 162.1 | 0.3 | 0 | 0 | 108.5 | K236 H240 | K236-Q238 PolarHBondContact O-N 2.93Å; Q238-H240 PolarHBondContact O-N 3.07Å; Q238-H240 VanDerWaalsContact O-N 3.14Å |
| 239 | Y | 74.5 | Confident | 68.6 | Low | 198 Ų | 198 | 140.1 Ų | 140.1 | 78% | 0.776 | 69% | 0.689 | S | S | * | * | | | trans | -63.5 | 112.5 | 170.9 | -66.8 | -87.7 | 0 | 0 | 0 | 108.8 | V237 G241 | V237-Y239 HydrophobicContact CB-CD2 4.47Å; V237-Y239 HydrophobicContact CB-CE2 3.99Å; V237-Y239 HydrophobicContact CG2-CD2 4.38Å; V237-Y239 HydrophobicContact CG2-CE2 3.56Å; V237-Y239 VanDerWaalsContact O-CD2 3.32Å; V237-Y239 WeakPolarHBondContact O-CD2 3.4Å; V237-Y239 PolarHBondContact O-N 3.17Å; V237-Y239 VanDerWaalsContact O-N 3.09Å; Y239-G241 PolarHBondContact O-N 3.23Å |
| 240 | H | 80.7 | Confident | 68.5 | Low | 173 Ų | 173 | 141.3 Ų | 141.3 | 80% | 0.801 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 124.6 | 157.9 | -68.4 | -86.6 | 0 | 0 | 0 | 106.7 | Q238 | Q238-H240 PolarHBondContact O-N 3.07Å; Q238-H240 VanDerWaalsContact O-N 3.14Å |
| 241 | G | 75.1 | Confident | 68.1 | Low | 68 Ų | 68 | 139 Ų | 139 | 70% | 0.701 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 140.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | Y239 C243 | Y239-G241 PolarHBondContact O-N 3.23Å; G241-C243 PolarHBondContact O-N 2.81Å |
| 242 | Y | 70 | Confident | 67.8 | Low | 173 Ų | 173 | 137.9 Ų | 137.9 | 68% | 0.678 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 129.8 | 174.9 | 176.3 | -108.5 | 0 | 0 | 0 | 109.6 | P244 D247 | Y242-P244 HydrophobicContact CD1-CG 4.18Å; Y242-P244 HydrophobicContact CE1-CB 4.3Å; Y242-P244 HydrophobicContact CE1-CG 3.94Å; Y242-D247 VanDerWaalsContact CE2-OD2 3.27Å; Y242-D247 WeakPolarHBondContact CE2-OD2 3.3Å; Y242-D247 VanDerWaalsContact CZ-OD2 3.31Å; Y242-D247 PolarHBondContact OH-OD2 3.4Å |
| 243 | C | 74.1 | Confident | 67.1 | Low | 61 Ų | 61 | 132.9 Ų | 132.9 | 41% | 0.412 | 67% | 0.672 | S | S | . | * | | | trans | -118 | 96.5 | -172.8 | -171.9 | 0 | 0 | 0 | 0 | 108.2 | G241 D245 C246 | G241-C243 PolarHBondContact O-N 2.81Å; C243-D245 PolarHBondContact O-N 3.19Å; C243-D245 VanDerWaalsContact O-N 3.15Å; C243-C246 HydrophobicContact CB-CB 4.47Å; C243-C246 WeakPolarHBondContact O-CB 3.28Å; C243-C246 PolarHBondContact O-N 2.81Å |
| 244 | P | 63.2 | Low | 66.9 | Low | 73 Ų | 73 | 128.6 Ų | 128.6 | 47% | 0.474 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -58 | -32.3 | -172.2 | -25 | 34.4 | 0 | 0 | 0 | 113.3 | Y242 C246 D247 | Y242-P244 HydrophobicContact CD1-CG 4.18Å; Y242-P244 HydrophobicContact CE1-CB 4.3Å; Y242-P244 HydrophobicContact CE1-CG 3.94Å; P244-C246 PolarHBondContact O-N 3.48Å; P244-C246 VanDerWaalsContact O-N 3.12Å; P244-D247 PolarHBondContact O-N 3.27Å |
| 245 | D | 70.8 | Confident | 66.4 | Low | 113 Ų | 113 | 127.3 Ų | 127.3 | 60% | 0.604 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -67.6 | -10.3 | -178.8 | -47.8 | -63.4 | 0 | 0 | 0 | 113.5 | C243 Q249 | C243-D245 PolarHBondContact O-N 3.19Å; C243-D245 VanDerWaalsContact O-N 3.15Å; D245-Q249 PolarHBondContact O-NE2 3.2Å |
| 246 | C | 65.8 | Low | 65.7 | Low | 68 Ų | 68 | 124 Ų | 124 | 46% | 0.459 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -92.8 | -26.7 | -179.9 | -66.2 | 0 | 0 | 0 | 0 | 114.3 | C243 P244 L248 | C243-C246 HydrophobicContact CB-CB 4.47Å; C243-C246 WeakPolarHBondContact O-CB 3.28Å; C243-C246 PolarHBondContact O-N 2.81Å; P244-C246 PolarHBondContact O-N 3.48Å; P244-C246 VanDerWaalsContact O-N 3.12Å; C246-L248 VanDerWaalsContact C-N 3.34Å |
| 247 | D | 61.6 | Low | 65.1 | Low | 105 Ų | 105 | 120.1 Ų | 120.1 | 56% | 0.561 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -70.9 | -31.8 | 178.1 | -86.7 | -30.2 | 0 | 0 | 0 | 111.8 | Y242 P244 Q249 | Y242-D247 VanDerWaalsContact CE2-OD2 3.27Å; Y242-D247 WeakPolarHBondContact CE2-OD2 3.3Å; Y242-D247 VanDerWaalsContact CZ-OD2 3.31Å; Y242-D247 PolarHBondContact OH-OD2 3.4Å; P244-D247 PolarHBondContact O-N 3.27Å; D247-Q249 VanDerWaalsContact C-N 3.31Å; D247-Q249 PolarHBondContact O-N 3.11Å |
| 248 | L | 60.6 | Low | 64.3 | Low | 137 Ų | 137 | 121.9 Ų | 121.9 | 72% | 0.717 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -10.5 | -173.7 | -74.6 | 160.7 | 0 | 0 | 0 | 115.2 | C246 | C246-L248 VanDerWaalsContact C-N 3.34Š|
| 249 | Q | 60.2 | Low | 63.8 | Low | 134 Ų | 134 | 119.5 Ų | 119.5 | 63% | 0.626 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.9 | -3.7 | -172 | -72.3 | 178.2 | 69.8 | 0 | 0 | 114.5 | D245 D247 | D245-Q249 PolarHBondContact O-NE2 3.2Å; D247-Q249 VanDerWaalsContact C-N 3.31Å; D247-Q249 PolarHBondContact O-N 3.11Å |
| 250 | Y | 56.6 | Low | 62.8 | Low | 205 Ų | 205 | 115.7 Ų | 115.7 | 80% | 0.804 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -105.4 | -4.9 | -170.9 | -86 | -74.7 | 0 | 0 | 0 | 116.2 | | |
| 251 | D | 58.3 | Low | 61.7 | Low | 147 Ų | 147 | 110.1 Ų | 110.1 | 79% | 0.786 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -103.4 | -8.2 | -173.8 | -159.2 | 49.9 | 0 | 0 | 0 | 114.3 | | |
| 252 | V | 59.7 | Low | 60.7 | Low | 92 Ų | 92 | 114.2 Ų | 114.2 | 56% | 0.558 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -101.2 | -53 | -170.5 | -172.3 | 0 | 0 | 0 | 0 | 113.2 | D254 A255 E256 | V252-D254 PolarHBondContact O-N 3.19Å; V252-A255 PolarHBondContact O-N 3.05Å; V252-E256 PolarHBondContact O-N 3.1Å |
| 253 | D | 58.4 | Low | 60 | Low | 114 Ų | 114 | 111.7 Ų | 111.7 | 61% | 0.61 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -61 | -39.1 | -173.3 | -90.8 | -97.1 | 0 | 0 | 0 | 114 | A255 E256 L257 | D253-A255 VanDerWaalsContact C-N 3.34Å; D253-A255 PolarHBondContact O-N 3Å; D253-E256 PolarHBondContact O-N 2.85Å; D253-L257 WeakPolarHBondContact O-CB 3.48Å; D253-L257 PolarHBondContact O-N 3.09Å |
| 254 | D | 57.3 | Low | 59.2 | Low | 106 Ų | 106 | 111.8 Ų | 111.8 | 57% | 0.567 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -68.8 | -34.1 | -174.3 | -150.9 | -82.6 | 0 | 0 | 0 | 111.8 | V252 H258 | V252-D254 PolarHBondContact O-N 3.19Å; D254-H258 PolarHBondContact O-N 3Å; D254-H258 PolarHBondContact O-ND1 3.26Å; D254-H258 IonicContact OD1-CE1 2.85Å; D254-H258 PolarHBondContact OD1-CE1 2.94Å; D254-H258 IonicContact OD1-ND1 3.26Å; D254-H258 PolarHBondContact OD1-ND1 3.42Å |
| 255 | A | 60 | Low | 58.7 | Low | 58 Ų | 58 | 114.8 Ų | 114.8 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -71.7 | -39.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | V252 D253 L259 | V252-A255 PolarHBondContact O-N 3.05Å; D253-A255 VanDerWaalsContact C-N 3.34Å; D253-A255 PolarHBondContact O-N 3Å; A255-L259 WeakPolarHBondContact O-CG 3.27Å |
| 256 | E | 56.7 | Low | 58 | Low | 124 Ų | 124 | 117 Ų | 117 | 58% | 0.579 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.7 | -40.5 | -179.9 | -170.5 | 168.4 | 178.8 | 0 | 0 | 111.9 | V252 D253 H258 L259 Q260 | V252-E256 PolarHBondContact O-N 3.1Å; D253-E256 PolarHBondContact O-N 2.85Å; E256-H258 PolarHBondContact O-N 3.11Å; E256-L259 PolarHBondContact O-N 3.02Å; E256-Q260 WeakPolarHBondContact O-CB 3.39Å; E256-Q260 PolarHBondContact O-N 3.21Å |
| 257 | L | 59.1 | Low | 57.3 | Low | 114 Ų | 114 | 121.6 Ų | 121.6 | 60% | 0.597 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -60.4 | -41.7 | 178.2 | -86 | 164.8 | 0 | 0 | 0 | 113.1 | D253 A261 | D253-L257 WeakPolarHBondContact O-CB 3.48Å; D253-L257 PolarHBondContact O-N 3.09Å; L257-A261 WeakPolarHBondContact O-CB 3.22Å; L257-A261 PolarHBondContact O-N 3.1Å; L257-A261 VanDerWaalsContact O-N 3.1Å |
| 258 | H | 57.6 | Low | 56.6 | Low | 127 Ų | 127 | 123.8 Ų | 123.8 | 59% | 0.588 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -65.5 | -41.9 | 178.5 | -78.8 | 99.8 | 0 | 0 | 0 | 112.5 | D254 E256 A261 E262 | D254-H258 PolarHBondContact O-N 3Å; D254-H258 PolarHBondContact O-ND1 3.26Å; D254-H258 IonicContact OD1-CE1 2.85Å; D254-H258 PolarHBondContact OD1-CE1 2.94Å; D254-H258 IonicContact OD1-ND1 3.26Å; D254-H258 PolarHBondContact OD1-ND1 3.42Å; E256-H258 PolarHBondContact O-N 3.11Å; H258-A261 PolarHBondContact O-N 3.18Å; H258-E262 PolarHBondContact O-N 3.07Å |
| 259 | L | 58.9 | Low | 55.6 | Low | 120 Ų | 120 | 121 Ų | 121 | 63% | 0.628 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -68.3 | -40.1 | 177.6 | -67.8 | 172.4 | 0 | 0 | 0 | 112.2 | A255 E256 A261 L263 | A255-L259 WeakPolarHBondContact O-CG 3.27Å; E256-L259 PolarHBondContact O-N 3.02Å; L259-A261 VanDerWaalsContact C-N 3.3Å; L259-A261 PolarHBondContact O-N 3.02Å; L259-L263 WeakPolarHBondContact O-CB 3.31Å; L259-L263 PolarHBondContact O-N 3.5Å |
| 260 | Q | 54.2 | Low | 54.8 | Low | 118 Ų | 118 | 120.6 Ų | 120.6 | 55% | 0.551 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.2 | -36.9 | 177.3 | -163.3 | 89 | -79.9 | 0 | 0 | 111.6 | E256 S264 | E256-Q260 WeakPolarHBondContact O-CB 3.39Å; E256-Q260 PolarHBondContact O-N 3.21Å; Q260-S264 WeakPolarHBondContact O-CB 3.31Å; Q260-S264 PolarHBondContact O-N 3.27Å; Q260-S264 PolarHBondContact O-OG 3.29Å |
| 261 | A | 58.3 | Low | 54 | Low | 56 Ų | 56 | 116.9 Ų | 116.9 | 46% | 0.463 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -67 | -53 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | L257 H258 L259 L263 S264 D265 | L257-A261 WeakPolarHBondContact O-CB 3.22Å; L257-A261 PolarHBondContact O-N 3.1Å; L257-A261 VanDerWaalsContact O-N 3.1Å; H258-A261 PolarHBondContact O-N 3.18Å; L259-A261 VanDerWaalsContact C-N 3.3Å; L259-A261 PolarHBondContact O-N 3.02Å; A261-L263 VanDerWaalsContact C-N 3.29Å; A261-L263 PolarHBondContact O-N 2.91Å; A261-S264 WeakPolarHBondContact O-CB 3.32Å; A261-S264 PolarHBondContact O-N 2.8Å; A261-S264 VanDerWaalsContact O-N 3.08Å; A261-D265 PolarHBondContact O-N 3.27Å |
| 262 | E | 52.8 | Low | 53 | Low | 153 Ų | 153 | 118.7 Ų | 118.7 | 72% | 0.715 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -61.3 | -38 | -177.9 | -170.3 | 177.8 | -165.8 | 0 | 0 | 112.1 | H258 S264 | H258-E262 PolarHBondContact O-N 3.07Å; E262-S264 VanDerWaalsContact C-N 3.32Å; E262-S264 PolarHBondContact O-N 2.86Å |
| 263 | L | 56.9 | Low | 51.9 | Low | 120 Ų | 120 | 120.3 Ų | 120.3 | 63% | 0.628 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -71.9 | -26.5 | 178.4 | -152.2 | 152.6 | 0 | 0 | 0 | 112.4 | L259 A261 R267 | L259-L263 WeakPolarHBondContact O-CB 3.31Å; L259-L263 PolarHBondContact O-N 3.5Å; A261-L263 VanDerWaalsContact C-N 3.29Å; A261-L263 PolarHBondContact O-N 2.91Å; L263-R267 WeakPolarHBondContact O-CG 3.45Å |
| 264 | S | 55.5 | Low | 50.6 | Low | 63 Ų | 63 | 121.1 Ų | 121.1 | 44% | 0.441 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -73.4 | -44.3 | 178.9 | -66 | 0 | 0 | 0 | 0 | 113 | Q260 A261 E262 L266 R267 | Q260-S264 WeakPolarHBondContact O-CB 3.31Å; Q260-S264 PolarHBondContact O-N 3.27Å; Q260-S264 PolarHBondContact O-OG 3.29Å; A261-S264 WeakPolarHBondContact O-CB 3.32Å; A261-S264 PolarHBondContact O-N 2.8Å; A261-S264 VanDerWaalsContact O-N 3.08Å; E262-S264 VanDerWaalsContact C-N 3.32Å; E262-S264 PolarHBondContact O-N 2.86Å; S264-L266 PolarHBondContact O-N 3.17Å; S264-R267 PolarHBondContact O-N 3.05Å |
| 265 | D | 53.6 | Low | 49.7 | Very low | 136 Ų | 136 | 122 Ų | 122 | 73% | 0.727 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -63.5 | -30.8 | -179.5 | -86.4 | -25.2 | 0 | 0 | 0 | 112.4 | A261 R267 | A261-D265 PolarHBondContact O-N 3.27Å; D265-R267 PolarHBondContact O-N 3.46Å |
| 266 | L | 55.9 | Low | 48.5 | Very low | 159 Ų | 159 | 125.5 Ų | 125.5 | 83% | 0.832 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -4.7 | 177.3 | -142.5 | 73.6 | 0 | 0 | 0 | 114 | S264 | S264-L266 PolarHBondContact O-N 3.17Š|
| 267 | R | 50.6 | Low | 47.6 | Very low | 166 Ų | 166 | 124.5 Ų | 124.5 | 63% | 0.626 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.9 | -7.2 | -172 | -80.7 | -60.6 | -47.7 | 129 | 12.4 | 116 | L263 S264 D265 S269 | L263-R267 WeakPolarHBondContact O-CG 3.45Å; S264-R267 PolarHBondContact O-N 3.05Å; D265-R267 PolarHBondContact O-N 3.46Å; R267-S269 VanDerWaalsContact C-N 3.25Å; R267-S269 PolarHBondContact O-N 2.88Å; R267-S269 VanDerWaalsContact O-N 3.09Å |
| 268 | L | 47 | Very low | 47.7 | Very low | 150 Ų | 150 | 124.3 Ų | 124.3 | 79% | 0.785 | 71% | 0.712 | S | S | * | * | | | trans | -85 | 37.1 | -175.5 | -64.1 | 179.3 | 0 | 0 | 0 | 115.2 | | |
| 269 | S | 40.1 | Very low | 47.4 | Very low | 79 Ų | 79 | 123.9 Ų | 123.9 | 55% | 0.552 | 72% | 0.72 | S | S | * | * | | | trans | -106.1 | 112.8 | 168.8 | -173.8 | 0 | 0 | 0 | 0 | 110.6 | R267 V271 | R267-S269 VanDerWaalsContact C-N 3.25Å; R267-S269 PolarHBondContact O-N 2.88Å; R267-S269 VanDerWaalsContact O-N 3.09Å; S269-V271 PolarHBondContact O-N 3.18Å |
| 270 | P | 43.9 | Very low | 47 | Very low | 126 Ų | 126 | 123.7 Ų | 123.7 | 82% | 0.818 | 73% | 0.726 | S | S | * | * | | | trans | -70.7 | 112.9 | 179.4 | -18.9 | 32.7 | 0 | 0 | 0 | 111.9 | | |
| 271 | V | 38.8 | Very low | 46.3 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | | | trans | -117.6 | 133.3 | 173.3 | -177.6 | 0 | 0 | 0 | 0 | 109 | S269 | S269-V271 PolarHBondContact O-N 3.18Š|
| 272 | H | 38.1 | Very low | 45.8 | Very low | 185 Ų | 185 | 129.4 Ų | 129.4 | 86% | 0.856 | 75% | 0.753 | S | S | * | * | | | trans | -68.1 | 145.8 | -169.2 | -78.9 | -109.2 | 0 | 0 | 0 | 114 | | |
| 273 | C | 36.9 | Very low | 45 | Very low | 127 Ų | 127 | 129.2 Ų | 129.2 | 86% | 0.858 | 76% | 0.756 | S | S | * | * | | | trans | -84.8 | 127.5 | 173.8 | -55.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 274 | C | 29.6 | Very low | 44.8 | Very low | 130 Ų | 130 | 128.9 Ų | 128.9 | 88% | 0.878 | 76% | 0.76 | S | S | * | * | | | trans | -137.8 | 132.7 | 163.2 | -78 | 0 | 0 | 0 | 0 | 109.2 | | |
| 275 | S | 38.9 | Very low | 44 | Very low | 125 Ų | 125 | 134.1 Ų | 134.1 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | | | trans | -107.9 | 146.1 | 179.7 | -55 | 0 | 0 | 0 | 0 | 111.9 | | |
| 276 | S | 34.7 | Very low | 43.8 | Very low | 132 Ų | 132 | 132.9 Ų | 132.9 | 92% | 0.923 | 78% | 0.777 | S | S | * | * | | | trans | -157 | 166.4 | 154.1 | -156.8 | 0 | 0 | 0 | 0 | 112.5 | | |
| 277 | S | 37.6 | Very low | 42.9 | Very low | 102 Ų | 102 | 133.6 Ų | 133.6 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | | | trans | -83.7 | 155.8 | -155.8 | -177.3 | 0 | 0 | 0 | 0 | 117.4 | | |
| 278 | P | 61.3 | Low | 42.5 | Very low | 111 Ų | 111 | 132.9 Ų | 132.9 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | | | trans | -70.7 | -175.9 | 157.8 | 36.2 | -40.5 | 0 | 0 | 0 | 111.8 | | |
| 279 | P | 52.7 | Low | 42.4 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | | | cis | -143.4 | -149.5 | 27.7 | 46.7 | -24.2 | 0 | 0 | 0 | 113.9 | | |
| 280 | P | 50.6 | Low | 42.4 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | | | cis | -133.1 | -174.8 | -11.4 | 41.5 | -22.5 | 0 | 0 | 0 | 116.7 | | |
| 281 | H | 38.3 | Very low | 42.2 | Very low | 182 Ų | 182 | 137.3 Ų | 137.3 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | | | trans | -89.9 | -169.7 | 170.3 | -48.3 | -85.2 | 0 | 0 | 0 | 112 | | |
| 282 | P | 47.6 | Very low | 42.1 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | cis | -137.6 | 175.7 | -8.2 | 40 | -21.5 | 0 | 0 | 0 | 116.5 | | |
| 283 | L | 36.6 | Very low | 42.1 | Very low | 149 Ų | 149 | 129.8 Ų | 129.8 | 78% | 0.78 | 79% | 0.789 | S | S | * | * | | | trans | 152.3 | 146.1 | 133.7 | -84.9 | 172.5 | 0 | 0 | 0 | 114 | | |
| 284 | P | 51.5 | Low | 42.2 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -102.5 | 152.6 | 167.9 | 37.9 | -30.9 | 0 | 0 | 0 | 113.1 | | |
| 285 | H | 39.2 | Very low | 42.9 | Very low | 174 Ų | 174 | 131 Ų | 131 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | | | trans | -126.1 | 139.3 | 170.5 | -81.9 | -81.9 | 0 | 0 | 0 | 111.9 | | |
| 286 | P | 49.3 | Very low | 42.8 | Very low | 110 Ų | 110 | 132 Ų | 132 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | trans | -85.3 | 150.6 | 178.7 | 34.6 | -34.7 | 0 | 0 | 0 | 112.5 | | |
| 287 | L | 38.1 | Very low | 43.1 | Very low | 173 Ų | 173 | 129.5 Ų | 129.5 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | | | trans | -84 | 128.6 | 169.5 | -66 | 175.2 | 0 | 0 | 0 | 110.4 | | |
| 288 | M | 41.4 | Very low | 43.1 | Very low | 151 Ų | 151 | 133.7 Ų | 133.7 | 74% | 0.744 | 78% | 0.777 | S | S | * | * | | | trans | -146.2 | 128.9 | 178.9 | -86.3 | -80.6 | 86.8 | 0 | 0 | 110.8 | | |
| 289 | L | 44.3 | Very low | 42.3 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | 64.2 | 164.2 | 172.6 | -74.6 | 69.4 | 0 | 0 | 0 | 113.7 | | |
| 290 | E | 40.1 | Very low | 41.7 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | cis | -142.7 | 172 | 14.2 | -156.8 | 170.4 | 108.2 | 0 | 0 | 113.4 | | |
| 291 | N | 39.8 | Very low | 42 | Very low | 140 Ų | 140 | 136.1 Ų | 136.1 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | | | trans | -46 | 155.7 | 173 | -43.7 | -67.2 | 0 | 0 | 0 | 113.4 | | |
| 292 | G | 36.7 | Very low | 42.8 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | | | cis | 82 | 133.3 | 48.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 293 | G | 37.9 | Very low | 42.5 | Very low | 71 Ų | 71 | 133.1 Ų | 133.1 | 73% | 0.732 | 77% | 0.77 | S | S | * | * | | | cis | 159.5 | 131.7 | -4.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 294 | L | 41 | Very low | 42.4 | Very low | 173 Ų | 173 | 132.1 Ų | 132.1 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | | | trans | -143.9 | 127.4 | 171 | -66.2 | 174.8 | 0 | 0 | 0 | 107.7 | | |
| 295 | S | 43 | Very low | 41.9 | Very low | 109 Ų | 109 | 135.2 Ų | 135.2 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | | | cis | 88.3 | 97.6 | 30.2 | -161.4 | 0 | 0 | 0 | 0 | 114.6 | | |
| 296 | V | 37.2 | Very low | 42.2 | Very low | 147 Ų | 147 | 133.2 Ų | 133.2 | 89% | 0.891 | 78% | 0.775 | S | S | * | * | | | trans | -132.5 | 137.1 | 154.6 | 174.4 | 0 | 0 | 0 | 0 | 106.7 | | |
| 297 | S | 40.8 | Very low | 42.7 | Very low | 79 Ų | 79 | 132.8 Ų | 132.8 | 55% | 0.552 | 77% | 0.772 | S | S | * | * | | | trans | -97.4 | 165.1 | -170.6 | -171.2 | 0 | 0 | 0 | 0 | 112.5 | | |
| 298 | H | 37.8 | Very low | 43.7 | Very low | 190 Ų | 190 | 129.9 Ų | 129.9 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | | | | -178.5 | 162.2 | 117 | -85.4 | -56.3 | 0 | 0 | 0 | 110.7 | | |
| 299 | S | 45 | Very low | 44.1 | Very low | 89 Ų | 89 | 128.6 Ų | 128.6 | 62% | 0.622 | 77% | 0.767 | S | S | * | * | | | trans | -131 | 138.2 | -156 | -70.1 | 0 | 0 | 0 | 0 | 115.3 | | |
| 300 | F | 39.2 | Very low | 44 | Very low | 192 Ų | 192 | 127.8 Ų | 127.8 | 84% | 0.842 | 77% | 0.772 | S | S | * | * | | | trans | 38.8 | 159.3 | 135 | -60 | -61.3 | 0 | 0 | 0 | 122.7 | | |
| 301 | P | 57.6 | Low | 45.1 | Very low | 114 Ų | 114 | 125.6 Ų | 125.6 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | | | cis | -130.1 | -126.1 | -29.7 | 33.8 | -9.5 | 0 | 0 | 0 | 113 | | |
| 302 | P | 54.5 | Low | 46 | Very low | 106 Ų | 106 | 123.7 Ų | 123.7 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | | | | -132.8 | -174.7 | -127 | 39.7 | -16.6 | 0 | 0 | 0 | 119.4 | | |
| 303 | T | 41.2 | Very low | 46.7 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | | | trans | 83.9 | 121.5 | 165.3 | 71.9 | 0 | 0 | 0 | 0 | 119.7 | | |
| 304 | T | 34.7 | Very low | 47 | Very low | 129 Ų | 129 | 130.9 Ų | 130.9 | 79% | 0.791 | 77% | 0.768 | S | S | * | * | | | | 175.4 | 116.7 | 106.3 | 42.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 305 | H | 41.2 | Very low | 47.5 | Very low | 176 Ų | 176 | 128.7 Ų | 128.7 | 82% | 0.815 | 76% | 0.762 | S | S | * | * | | | trans | 40.1 | 88.7 | 133.5 | -162.7 | -75 | 0 | 0 | 0 | 122.1 | | |
| 306 | T | 44.6 | Very low | 47.7 | Very low | 133 Ų | 133 | 129.2 Ų | 129.2 | 82% | 0.816 | 76% | 0.763 | S | S | * | * | | | trans | -146.6 | 131.1 | 152.3 | -51.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 307 | P | 60.3 | Low | 47.9 | Very low | 100 Ų | 100 | 127.5 Ų | 127.5 | 65% | 0.649 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 155.3 | 176.9 | 34.3 | -34.9 | 0 | 0 | 0 | 113.6 | | |
| 308 | P | 58.8 | Low | 48.3 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 158.4 | 170.1 | 31.7 | -35.3 | 0 | 0 | 0 | 112 | C310 | P308-C310 PolarHBondContact O-N 3.08Š|
| 309 | P | 51.2 | Low | 49.1 | Very low | 125 Ų | 125 | 131.5 Ų | 131.5 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 129.8 | -173.9 | 27.7 | -35 | 0 | 0 | 0 | 113.1 | V311 | P309-V311 PolarHBondContact O-N 3.38Š|
| 310 | C | 41.3 | Very low | 49.1 | Very low | 128 Ų | 128 | 133 Ų | 133 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 127.7 | 176.6 | -62.1 | 0 | 0 | 0 | 0 | 112.2 | P308 | P308-C310 PolarHBondContact O-N 3.08Š|
| 311 | V | 63.1 | Low | 49.6 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 71% | 0.709 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 138.7 | 164 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | P309 | P309-V311 PolarHBondContact O-N 3.38Š|
| 312 | P | 58.8 | Low | 49.6 | Very low | 101 Ų | 101 | 136.4 Ų | 136.4 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 138.9 | 178.5 | -24.8 | 34.8 | 0 | 0 | 0 | 112.6 | H314 | P312-H314 PolarHBondContact O-N 2.88Š|
| 313 | P | 51.7 | Low | 49.6 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 124.2 | 177 | 27.5 | -33.5 | 0 | 0 | 0 | 110.6 | | |
| 314 | H | 44.9 | Very low | 50.3 | Low | 178 Ų | 178 | 138.4 Ų | 138.4 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 139 | 174.9 | -72 | -98.3 | 0 | 0 | 0 | 110.9 | P312 | P312-H314 PolarHBondContact O-N 2.88Š|
| 315 | T | 51.5 | Low | 51.1 | Low | 126 Ų | 126 | 139.9 Ų | 139.9 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 143.8 | 176 | 44.7 | 0 | 0 | 0 | 0 | 111.3 | S317 | T315-S317 PolarHBondContact O-N 3.22Š|
| 316 | P | 46.3 | Very low | 52.2 | Low | 121 Ų | 121 | 142 Ų | 142 | 79% | 0.786 | 79% | 0.789 | S | S | * | * | | | trans | -68.6 | 104.9 | 178.9 | 27.3 | -33.7 | 0 | 0 | 0 | 110.3 | L318 | P316-L318 PolarHBondContact O-N 3.26Š|
| 317 | S | 40.9 | Very low | 52.9 | Low | 111 Ų | 111 | 144.2 Ų | 144.2 | 78% | 0.776 | 79% | 0.787 | S | S | * | * | | | trans | -63.6 | 118.6 | 176.4 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | T315 K319 | T315-S317 PolarHBondContact O-N 3.22Å; S317-K319 PolarHBondContact O-N 3.07Å; S317-K319 VanDerWaalsContact O-N 3.07Å |
| 318 | L | 49.3 | Very low | 52.8 | Low | 167 Ų | 167 | 145.2 Ų | 145.2 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | | | trans | -67.5 | 105.6 | 179.7 | -70.6 | 170.7 | 0 | 0 | 0 | 109.9 | P316 | P316-L318 PolarHBondContact O-N 3.26Š|
| 319 | K | 54.7 | Low | 52.9 | Low | 185 Ų | 185 | 145.3 Ų | 145.3 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 132.7 | 173.2 | -64.5 | 175.8 | -178.7 | 175 | 0 | 109.3 | S317 H321 | S317-K319 PolarHBondContact O-N 3.07Å; S317-K319 VanDerWaalsContact O-N 3.07Å; K319-H321 PolarHBondContact O-N 3.3Å |
| 320 | P | 46.4 | Very low | 53.2 | Low | 121 Ų | 121 | 145.1 Ų | 145.1 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 122.4 | 177.2 | 25.7 | -33.3 | 0 | 0 | 0 | 109.8 | K322 | P320-K322 PolarHBondContact O-N 3.2Š|
| 321 | H | 49.6 | Very low | 53.8 | Low | 181 Ų | 181 | 144.8 Ų | 144.8 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 121.2 | 175.2 | -85.2 | -114 | 0 | 0 | 0 | 109.6 | K319 T323 | K319-H321 PolarHBondContact O-N 3.3Å; H321-T323 PolarHBondContact O-N 3.2Å |
| 322 | K | 56.6 | Low | 53.2 | Low | 196 Ų | 196 | 144.9 Ų | 144.9 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | | | trans | -68.4 | 100.6 | 168.8 | -69.4 | 178.7 | 67.1 | 175.3 | 0 | 108.1 | P320 I324 | P320-K322 PolarHBondContact O-N 3.2Å; K322-I324 PolarHBondContact O-N 3.29Å |
| 323 | T | 55.5 | Low | 52.7 | Low | 132 Ų | 132 | 150 Ų | 150 | 81% | 0.81 | 81% | 0.811 | S | S | * | * | | | trans | -62.9 | 93.9 | 176.9 | -50.7 | 0 | 0 | 0 | 0 | 110.2 | H321 L325 | H321-T323 PolarHBondContact O-N 3.2Å; T323-L325 PolarHBondContact O-N 3.21Å; T323-L325 VanDerWaalsContact O-N 3.09Å |
| 324 | I | 54.8 | Low | 52.8 | Low | 143 Ų | 143 | 151.2 Ų | 151.2 | 73% | 0.733 | 81% | 0.811 | S | S | * | * | | | trans | -67.1 | 109.1 | 170.3 | -62.5 | 175.6 | 0 | 0 | 0 | 106.9 | K322 R326 | K322-I324 PolarHBondContact O-N 3.29Å; I324-R326 VanDerWaalsContact C-N 3.26Å; I324-R326 PolarHBondContact O-N 3.22Å |
| 325 | L | 52.5 | Low | 53.2 | Low | 159 Ų | 159 | 149.8 Ų | 149.8 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | | | trans | -66.4 | 86.7 | 174.7 | -178.2 | 62.5 | 0 | 0 | 0 | 109.4 | T323 K327 | T323-L325 PolarHBondContact O-N 3.21Å; T323-L325 VanDerWaalsContact O-N 3.09Å; L325-K327 VanDerWaalsContact C-N 3.34Å; L325-K327 PolarHBondContact O-N 3.18Å |
| 326 | R | 63.4 | Low | 53.3 | Low | 221 Ų | 221 | 151.1 Ų | 151.1 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | | | trans | -64 | 95.2 | 170 | -78.4 | -177.6 | 163 | -176.4 | -5.5 | 108.3 | I324 T328 | I324-R326 VanDerWaalsContact C-N 3.26Å; I324-R326 PolarHBondContact O-N 3.22Å; R326-T328 VanDerWaalsContact C-N 3.33Å; R326-T328 PolarHBondContact O-N 2.94Å |
| 327 | K | 58.9 | Low | 53.7 | Low | 179 Ų | 179 | 152.9 Ų | 152.9 | 78% | 0.778 | 81% | 0.814 | S | S | * | * | | | trans | -63.7 | 93.1 | 171.3 | -171.7 | -162.1 | 72.9 | 174.7 | 0 | 108.8 | L325 T329 | L325-K327 VanDerWaalsContact C-N 3.34Å; L325-K327 PolarHBondContact O-N 3.18Å; K327-T329 PolarHBondContact O-N 2.89Å |
| 328 | T | 58 | Low | 54.5 | Low | 121 Ų | 121 | 155.5 Ų | 155.5 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | | | trans | -62 | 115.9 | 177.1 | 45.7 | 0 | 0 | 0 | 0 | 109.9 | R326 T330 | R326-T328 VanDerWaalsContact C-N 3.33Å; R326-T328 PolarHBondContact O-N 2.94Å; T328-T330 PolarHBondContact O-N 3.11Å |
| 329 | T | 60.9 | Low | 54.9 | Low | 115 Ų | 115 | 154.7 Ų | 154.7 | 71% | 0.706 | 81% | 0.812 | S | S | * | * | | | trans | -73.8 | 110.3 | 168.6 | -60.9 | 0 | 0 | 0 | 0 | 108.4 | K327 T331 | K327-T329 PolarHBondContact O-N 2.89Å; T329-T331 PolarHBondContact O-N 2.9Å |
| 330 | T | 58.5 | Low | 54.9 | Low | 120 Ų | 120 | 152.6 Ų | 152.6 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | | | trans | -70 | 108.8 | 169.6 | -54.6 | 0 | 0 | 0 | 0 | 109.2 | T328 | T328-T330 PolarHBondContact O-N 3.11Š|
| 331 | T | 53.9 | Low | 55.5 | Low | 121 Ų | 121 | 155 Ų | 155 | 74% | 0.742 | 82% | 0.815 | S | S | * | * | | | trans | -89.6 | 113.9 | 160.6 | -65.8 | 0 | 0 | 0 | 0 | 107.7 | T329 | T329-T331 PolarHBondContact O-N 2.9Š|
| 332 | T | 51 | Low | 56 | Low | 119 Ų | 119 | 152.8 Ų | 152.8 | 73% | 0.73 | 81% | 0.813 | S | S | * | * | | | trans | -77.4 | 144.8 | 164.9 | -43.8 | 0 | 0 | 0 | 0 | 108.8 | | |
| 333 | V | 48 | Very low | 56 | Low | 208 Ų | 208 | 148.9 Ų | 148.9 | 100% | 1.261 | 81% | 0.81 | S | S | * | * | | | trans | -77.6 | 0 | 173.2 | -176.4 | 0 | 0 | 0 | 0 | 110.2 | | |