| 1 | M | 55.6 | Low | 64.9 | Low | 220 Ų | 220 | 135.4 Ų | 135.4 | 100% | 1.084 | 65% | 0.652 | S | S | * | * | | | | 0 | -23.5 | 0 | -78.3 | 179.4 | 177.1 | 0 | 0 | 114.5 | | |
| 2 | L | 55.9 | Low | 65.6 | Low | 149 Ų | 149 | 135.2 Ų | 135.2 | 78% | 0.78 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -78.4 | -32.8 | -179.6 | -69.4 | 169.5 | 0 | 0 | 0 | 114.6 | K5 M6 | L2-K5 WeakPolarHBondContact O-CB 3.5Å; L2-K5 PolarHBondContact O-N 3.12Å; L2-M6 PolarHBondContact O-N 3.42Å |
| 3 | F | 52 | Low | 66.4 | Low | 165 Ų | 165 | 135.7 Ų | 135.7 | 72% | 0.724 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -60.2 | -49 | 179.4 | -121 | -88.7 | 0 | 0 | 0 | 112.2 | K5 M6 D7 | F3-K5 PolarHBondContact O-N 3.2Å; F3-K5 VanDerWaalsContact O-N 3.12Å; F3-M6 WeakPolarHBondContact O-CB 3.22Å; F3-M6 PolarHBondContact O-N 3.03Å; F3-D7 PolarHBondContact O-N 3.3Å |
| 4 | M | 63.4 | Low | 67 | Low | 129 Ų | 129 | 132.9 Ų | 132.9 | 64% | 0.635 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -60.9 | -26.7 | 178.5 | -50.2 | -67.6 | 87.3 | 0 | 0 | 113.2 | L8 | M4-L8 WeakPolarHBondContact O-CB 3.46Å; M4-L8 PolarHBondContact O-N 3.23Å; M4-L8 VanDerWaalsContact O-N 3.09Å |
| 5 | K | 60.5 | Low | 67.5 | Low | 141 Ų | 141 | 130.6 Ų | 130.6 | 61% | 0.613 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -78.4 | -34.2 | 178.8 | -162.2 | -178 | 176 | 83.3 | 0 | 111.3 | L2 F3 L9 | L2-K5 WeakPolarHBondContact O-CB 3.5Å; L2-K5 PolarHBondContact O-N 3.12Å; F3-K5 PolarHBondContact O-N 3.2Å; F3-K5 VanDerWaalsContact O-N 3.12Å; K5-L9 WeakPolarHBondContact O-CD1 3.35Å; K5-L9 VanDerWaalsContact O-CG 3.3Å; K5-L9 WeakPolarHBondContact O-CG 3.41Å; K5-L9 PolarHBondContact O-N 3.38Å |
| 6 | M | 66.9 | Low | 67.9 | Low | 138 Ų | 138 | 131.8 Ų | 131.8 | 68% | 0.68 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -68.1 | -42.2 | 172.4 | -159.7 | 93.5 | 77.8 | 0 | 0 | 110.6 | L2 F3 L9 N10 | L2-M6 PolarHBondContact O-N 3.42Å; F3-M6 WeakPolarHBondContact O-CB 3.22Å; F3-M6 PolarHBondContact O-N 3.03Å; M6-L9 PolarHBondContact O-N 3.33Å; M6-N10 WeakPolarHBondContact O-CB 3.3Å; M6-N10 PolarHBondContact O-N 3.03Å |
| 7 | D | 69.4 | Low | 68.2 | Low | 62 Ų | 62 | 129.9 Ų | 129.9 | 33% | 0.332 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.1 | -45.6 | 177.6 | -65.4 | -37.4 | 0 | 0 | 0 | 111 | F3 L9 N10 Y11 | F3-D7 PolarHBondContact O-N 3.3Å; D7-L9 VanDerWaalsContact C-N 3.33Å; D7-L9 PolarHBondContact O-N 3.09Å; D7-N10 WeakPolarHBondContact O-CB 3.42Å; D7-N10 PolarHBondContact O-N 3.21Å; D7-N10 VanDerWaalsContact O-N 3.13Å; D7-Y11 WeakPolarHBondContact O-CD2 3.22Å; D7-Y11 PolarHBondContact O-N 3.04Å |
| 8 | L | 70.8 | Confident | 68.2 | Low | 122 Ų | 122 | 129.1 Ų | 129.1 | 64% | 0.639 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -62.5 | -38.8 | 178.4 | -171.3 | 63.1 | 0 | 0 | 0 | 112.9 | M4 N10 Q12 | M4-L8 WeakPolarHBondContact O-CB 3.46Å; M4-L8 PolarHBondContact O-N 3.23Å; M4-L8 VanDerWaalsContact O-N 3.09Å; L8-N10 VanDerWaalsContact C-N 3.35Å; L8-Q12 WeakPolarHBondContact O-CB 3.19Å; L8-Q12 PolarHBondContact O-N 3.4Å |
| 9 | L | 71.3 | Confident | 68 | Low | 105 Ų | 105 | 127.6 Ų | 127.6 | 55% | 0.55 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -67.2 | -37.3 | 175 | -72.4 | 168.6 | 0 | 0 | 0 | 111.8 | K5 M6 D7 Q12 Y13 | K5-L9 WeakPolarHBondContact O-CD1 3.35Å; K5-L9 VanDerWaalsContact O-CG 3.3Å; K5-L9 WeakPolarHBondContact O-CG 3.41Å; K5-L9 PolarHBondContact O-N 3.38Å; M6-L9 PolarHBondContact O-N 3.33Å; D7-L9 VanDerWaalsContact C-N 3.33Å; D7-L9 PolarHBondContact O-N 3.09Å; L9-Q12 PolarHBondContact O-N 3.44Å; L9-Y13 WeakPolarHBondContact O-CB 3.5Å; L9-Y13 PolarHBondContact O-N 3.01Å |
| 10 | N | 73.6 | Confident | 67.5 | Low | 87 Ų | 87 | 125.5 Ų | 125.5 | 47% | 0.465 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -68.5 | -43.4 | 177 | -164.1 | 1.9 | 0 | 0 | 0 | 111.3 | M6 D7 L8 Q12 Y13 L14 | M6-N10 WeakPolarHBondContact O-CB 3.3Å; M6-N10 PolarHBondContact O-N 3.03Å; D7-N10 WeakPolarHBondContact O-CB 3.42Å; D7-N10 PolarHBondContact O-N 3.21Å; D7-N10 VanDerWaalsContact O-N 3.13Å; L8-N10 VanDerWaalsContact C-N 3.35Å; N10-Q12 PolarHBondContact O-N 2.95Å; N10-Y13 PolarHBondContact O-N 3.49Å; N10-L14 WeakPolarHBondContact O-CB 3.39Å; N10-L14 VanDerWaalsContact O-CG 3.31Å; N10-L14 WeakPolarHBondContact O-CG 3.4Å; N10-L14 PolarHBondContact O-N 2.98Å |
| 11 | Y | 74.5 | Confident | 67 | Low | 171 Ų | 171 | 124 Ų | 124 | 67% | 0.671 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -60.7 | -44.5 | 173.3 | -88 | -75.4 | 0 | 0 | 0 | 112.1 | D7 Y13 L14 D15 | D7-Y11 WeakPolarHBondContact O-CD2 3.22Å; D7-Y11 PolarHBondContact O-N 3.04Å; Y11-Y13 VanDerWaalsContact C-N 3.31Å; Y11-Y13 PolarHBondContact O-N 3.31Å; Y11-L14 PolarHBondContact O-N 3.45Å; Y11-D15 VanDerWaalsContact O-CB 3.23Å; Y11-D15 WeakPolarHBondContact O-CB 3.23Å; Y11-D15 PolarHBondContact O-N 2.86Å |
| 12 | Q | 73.4 | Confident | 67 | Low | 133 Ų | 133 | 115.9 Ų | 115.9 | 62% | 0.621 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -67.3 | -33 | 178.2 | -163.9 | 171.4 | 38.2 | 0 | 0 | 112.3 | L8 L9 N10 K16 | L8-Q12 WeakPolarHBondContact O-CB 3.19Å; L8-Q12 PolarHBondContact O-N 3.4Å; L9-Q12 PolarHBondContact O-N 3.44Å; N10-Q12 PolarHBondContact O-N 2.95Å; Q12-K16 WeakPolarHBondContact O-CB 3.38Å; Q12-K16 PolarHBondContact O-N 3.27Å |
| 13 | Y | 76 | Confident | 66.9 | Low | 142 Ų | 142 | 113.4 Ų | 113.4 | 56% | 0.557 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.1 | -46.8 | 173.9 | 177 | -100.5 | 0 | 0 | 0 | 111.9 | L9 N10 Y11 K16 M17 | L9-Y13 WeakPolarHBondContact O-CB 3.5Å; L9-Y13 PolarHBondContact O-N 3.01Å; N10-Y13 PolarHBondContact O-N 3.49Å; Y11-Y13 VanDerWaalsContact C-N 3.31Å; Y11-Y13 PolarHBondContact O-N 3.31Å; Y13-K16 PolarHBondContact O-N 3.13Å; Y13-M17 HydrophobicContact CD1-CG 4.42Å; Y13-M17 HydrophobicContact CE1-CG 4.07Å; Y13-M17 HydrophobicContact CE2-CG 4.27Å; Y13-M17 WeakPolarHBondContact O-CB 3.32Å; Y13-M17 VanDerWaalsContact O-CG 3.27Å; Y13-M17 WeakPolarHBondContact O-CG 3.48Å; Y13-M17 PolarHBondContact O-N 2.95Å |
| 14 | L | 75.3 | Confident | 67 | Low | 97 Ų | 97 | 112 Ų | 112 | 51% | 0.508 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.4 | -42.4 | 177 | -72.1 | 168.1 | 0 | 0 | 0 | 111.4 | N10 Y11 M17 N18 | N10-L14 WeakPolarHBondContact O-CB 3.39Å; N10-L14 VanDerWaalsContact O-CG 3.31Å; N10-L14 WeakPolarHBondContact O-CG 3.4Å; N10-L14 PolarHBondContact O-N 2.98Å; Y11-L14 PolarHBondContact O-N 3.45Å; L14-M17 PolarHBondContact O-N 3.48Å; L14-N18 WeakPolarHBondContact O-CB 3.45Å; L14-N18 PolarHBondContact O-N 2.84Å |
| 15 | D | 73.9 | Confident | 66.4 | Low | 98 Ų | 98 | 110.5 Ų | 110.5 | 52% | 0.524 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -63.7 | -42.1 | 175.9 | -176.1 | 69.2 | 0 | 0 | 0 | 112.2 | Y11 M17 N18 N19 | Y11-D15 VanDerWaalsContact O-CB 3.23Å; Y11-D15 WeakPolarHBondContact O-CB 3.23Å; Y11-D15 PolarHBondContact O-N 2.86Å; D15-M17 VanDerWaalsContact C-N 3.34Å; D15-M17 PolarHBondContact O-N 3.13Å; D15-N18 PolarHBondContact O-N 2.94Å; D15-N19 WeakPolarHBondContact O-CB 3.42Å; D15-N19 PolarHBondContact O-N 3.42Å; D15-N19 PolarHBondContact O-ND2 3.28Å; D15-N19 VanDerWaalsContact O-ND2 3.13Å; D15-N19 PolarHBondContact OD2-ND2 2.91Å |
| 16 | K | 74.8 | Confident | 65.7 | Low | 149 Ų | 149 | 113 Ų | 113 | 65% | 0.648 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -65 | -37 | 174.8 | -170.2 | 172.2 | -176.8 | 179.3 | 0 | 112.1 | Q12 Y13 N20 | Q12-K16 WeakPolarHBondContact O-CB 3.38Å; Q12-K16 PolarHBondContact O-N 3.27Å; Y13-K16 PolarHBondContact O-N 3.13Å; K16-N20 PolarHBondContact O-ND2 2.87Å |
| 17 | M | 72.9 | Confident | 64.9 | Low | 101 Ų | 101 | 113 Ų | 113 | 50% | 0.498 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.7 | -42.1 | 174.6 | -72.5 | -69.3 | -69.8 | 0 | 0 | 111.7 | Y13 L14 D15 N19 N20 | Y13-M17 HydrophobicContact CD1-CG 4.42Å; Y13-M17 HydrophobicContact CE1-CG 4.07Å; Y13-M17 HydrophobicContact CE2-CG 4.27Å; Y13-M17 WeakPolarHBondContact O-CB 3.32Å; Y13-M17 VanDerWaalsContact O-CG 3.27Å; Y13-M17 WeakPolarHBondContact O-CG 3.48Å; Y13-M17 PolarHBondContact O-N 2.95Å; L14-M17 PolarHBondContact O-N 3.48Å; D15-M17 VanDerWaalsContact C-N 3.34Å; D15-M17 PolarHBondContact O-N 3.13Å; M17-N19 PolarHBondContact O-N 2.85Å; M17-N20 PolarHBondContact O-N 3.35Å |
| 18 | N | 67.3 | Low | 63.8 | Low | 115 Ų | 115 | 112.9 Ų | 112.9 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.9 | -36.1 | -179.5 | -125.4 | 9.3 | 0 | 0 | 0 | 112.5 | L14 D15 N20 I21 | L14-N18 WeakPolarHBondContact O-CB 3.45Å; L14-N18 PolarHBondContact O-N 2.84Å; D15-N18 PolarHBondContact O-N 2.94Å; N18-N20 PolarHBondContact O-N 3.47Å; N18-I21 PolarHBondContact O-N 3.34Å; N18-I21 VanDerWaalsContact O-N 3.13Å |
| 19 | N | 63.8 | Low | 62.5 | Low | 100 Ų | 100 | 115.3 Ų | 115.3 | 54% | 0.535 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.1 | -27.2 | 174.3 | -92.5 | -66.6 | 0 | 0 | 0 | 113.3 | D15 M17 | D15-N19 WeakPolarHBondContact O-CB 3.42Å; D15-N19 PolarHBondContact O-N 3.42Å; D15-N19 PolarHBondContact O-ND2 3.28Å; D15-N19 VanDerWaalsContact O-ND2 3.13Å; D15-N19 PolarHBondContact OD2-ND2 2.91Å; M17-N19 PolarHBondContact O-N 2.85Å |
| 20 | N | 58 | Low | 61.3 | Low | 85 Ų | 85 | 113.3 Ų | 113.3 | 46% | 0.455 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -77.4 | -22.3 | 175.3 | -75.6 | -72.5 | 0 | 0 | 0 | 113.1 | K16 M17 N18 I23 L24 | K16-N20 PolarHBondContact O-ND2 2.87Å; M17-N20 PolarHBondContact O-N 3.35Å; N18-N20 PolarHBondContact O-N 3.47Å; N20-I23 PolarHBondContact O-N 3.1Å; N20-L24 PolarHBondContact O-N 3.22Å |
| 21 | I | 57.5 | Low | 60 | Low | 96 Ų | 96 | 113.4 Ų | 113.4 | 49% | 0.492 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -70.5 | -35.5 | 177 | -60.5 | 177.7 | 0 | 0 | 0 | 110.5 | N18 I23 L24 C25 | N18-I21 PolarHBondContact O-N 3.34Å; N18-I21 VanDerWaalsContact O-N 3.13Å; I21-I23 VanDerWaalsContact C-N 3.35Å; I21-I23 PolarHBondContact O-N 3.5Å; I21-L24 PolarHBondContact O-N 3.06Å; I21-C25 PolarHBondContact O-N 3.39Å; I21-C25 PolarHBondContact O-SG 2.76Å; I21-C25 VanDerWaalsContact O-SG 3.36Å |
| 22 | G | 56.1 | Low | 58.8 | Low | 48 Ų | 48 | 113 Ų | 113 | 50% | 0.495 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.6 | -33.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y26 | G22-Y26 PolarHBondContact O-N 2.89Å |
| 23 | I | 53.6 | Low | 57.6 | Low | 97 Ų | 97 | 116 Ų | 116 | 50% | 0.497 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -73.4 | -41 | 179.1 | -63.5 | 176.7 | 0 | 0 | 0 | 110.7 | N20 I21 C25 Y26 E27 | N20-I23 PolarHBondContact O-N 3.1Å; I21-I23 VanDerWaalsContact C-N 3.35Å; I21-I23 PolarHBondContact O-N 3.5Å; I23-C25 VanDerWaalsContact C-N 3.34Å; I23-C25 PolarHBondContact O-N 3.13Å; I23-Y26 PolarHBondContact O-N 3.31Å; I23-E27 WeakPolarHBondContact O-CB 3.27Å; I23-E27 PolarHBondContact O-N 2.74Å |
| 24 | L | 54.3 | Low | 56.1 | Low | 135 Ų | 135 | 112.7 Ų | 112.7 | 71% | 0.707 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.8 | -30.5 | 178.9 | -68.9 | 169.3 | 0 | 0 | 0 | 113.1 | N20 I21 | N20-L24 PolarHBondContact O-N 3.22Å; I21-L24 PolarHBondContact O-N 3.06Å |
| 25 | C | 50.8 | Low | 54.2 | Low | 98 Ų | 98 | 115.4 Ų | 115.4 | 66% | 0.662 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -77 | -20.8 | 176 | -67.3 | 0 | 0 | 0 | 0 | 113.6 | I21 I23 | I21-C25 PolarHBondContact O-N 3.39Å; I21-C25 PolarHBondContact O-SG 2.76Å; I21-C25 VanDerWaalsContact O-SG 3.36Å; I23-C25 VanDerWaalsContact C-N 3.34Å; I23-C25 PolarHBondContact O-N 3.13Å |
| 26 | Y | 46.5 | Very low | 53.3 | Low | 194 Ų | 194 | 116.1 Ų | 116.1 | 76% | 0.761 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -100.6 | -27.1 | 179.7 | -147.1 | -94.7 | 0 | 0 | 0 | 113.3 | G22 I23 | G22-Y26 PolarHBondContact O-N 2.89Å; I23-Y26 PolarHBondContact O-N 3.31Å |
| 27 | E | 49.5 | Very low | 51.6 | Low | 138 Ų | 138 | 120.3 Ų | 120.3 | 65% | 0.645 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -74.2 | -29.4 | 175.5 | -162.3 | 101 | -152.4 | 0 | 0 | 112.1 | I23 | I23-E27 WeakPolarHBondContact O-CB 3.27Å; I23-E27 PolarHBondContact O-N 2.74Å |
| 28 | G | 45.3 | Very low | 50.4 | Low | 60 Ų | 60 | 123.4 Ų | 123.4 | 62% | 0.619 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -70.5 | -28.6 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 29 | E | 45.3 | Very low | 49 | Very low | 173 Ų | 173 | 127 Ų | 127 | 81% | 0.808 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -91.6 | -22.9 | 175 | -89.9 | -146.8 | 136.8 | 0 | 0 | 113.5 | | |
| 30 | A | 45.5 | Very low | 47.6 | Very low | 63 Ų | 63 | 128 Ų | 128 | 52% | 0.521 | 69% | 0.691 | S | S | . | * | H | α-helix | trans | -77.7 | -21.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114 | L32 | A30-L32 VanDerWaalsContact C-N 3.25Å; A30-L32 PolarHBondContact O-N 2.95Å |
| 31 | A | 45.6 | Very low | 46.8 | Very low | 88 Ų | 88 | 131.5 Ų | 131.5 | 73% | 0.727 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.9 | -8.8 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 32 | L | 48.8 | Very low | 46.4 | Very low | 162 Ų | 162 | 132.6 Ų | 132.6 | 85% | 0.848 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105 | 2.3 | -179.7 | -68.4 | -176.6 | 0 | 0 | 0 | 115.1 | A30 | A30-L32 VanDerWaalsContact C-N 3.25Å; A30-L32 PolarHBondContact O-N 2.95Å |
| 33 | R | 48 | Very low | 45.8 | Very low | 197 Ų | 197 | 137 Ų | 137 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | | | trans | -140.4 | 77 | -176.5 | -128.9 | -76.8 | -170.2 | 171.8 | 2.2 | 111.3 | E35 | R33-E35 PolarHBondContact O-N 3.27Å; R33-E35 VanDerWaalsContact O-N 3.14Å |
| 34 | G | 45.7 | Very low | 44.8 | Very low | 72 Ų | 72 | 137.2 Ų | 137.2 | 74% | 0.742 | 76% | 0.755 | S | S | * | * | | | trans | -57 | 115.1 | 160.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 35 | E | 35.4 | Very low | 43.8 | Very low | 155 Ų | 155 | 136.4 Ų | 136.4 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | | | trans | 170.4 | 127.7 | 137.1 | -97 | -65.5 | 135.1 | 0 | 0 | 110 | R33 | R33-E35 PolarHBondContact O-N 3.27Å; R33-E35 VanDerWaalsContact O-N 3.14Å |
| 36 | P | 54.4 | Low | 43.1 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -97.3 | 116.3 | -177.7 | 34.8 | -26.2 | 0 | 0 | 0 | 111.4 | | |
| 37 | R | 39.1 | Very low | 42.8 | Very low | 238 Ų | 238 | 134.6 Ų | 134.6 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | | | trans | -155.7 | 120.1 | 152.6 | -156.6 | 165.4 | 175.5 | 151.9 | -2.9 | 112.6 | | |
| 38 | M | 48.8 | Very low | 42.1 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | | | trans | -34.9 | 134.7 | 169.3 | -57.3 | -79.1 | 129.7 | 0 | 0 | 113.9 | | |
| 39 | Q | 37.2 | Very low | 41.6 | Very low | 191 Ų | 191 | 134.1 Ų | 134.1 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | | | trans | -170.3 | 146.2 | 133.6 | -105 | 159.3 | 92.2 | 0 | 0 | 113.1 | | |
| 40 | T | 34.9 | Very low | 41.3 | Very low | 120 Ų | 120 | 134.3 Ų | 134.3 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | trans | -116 | 134.1 | -160.6 | -73.2 | 0 | 0 | 0 | 0 | 109 | | |
| 41 | L | 39.4 | Very low | 41.3 | Very low | 159 Ų | 159 | 143.1 Ų | 143.1 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | | | trans | 74.9 | 162.7 | 162.5 | -60.8 | 167.6 | 0 | 0 | 0 | 119.6 | | |
| 42 | P | 49.2 | Very low | 41.4 | Very low | 118 Ų | 118 | 146.1 Ų | 146.1 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | | | cis | -133.9 | 178.6 | -43.8 | 36.7 | -19.2 | 0 | 0 | 0 | 114 | | |
| 43 | V | 44.7 | Very low | 41.7 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | trans | -41.6 | 137.4 | 172.8 | 169.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 44 | A | 31.2 | Very low | 42 | Very low | 100 Ų | 100 | 138 Ų | 138 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | | | trans | -166.9 | 144.3 | 138.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 45 | S | 34.5 | Very low | 42.8 | Very low | 119 Ų | 119 | 139.8 Ų | 139.8 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | | | trans | -69.3 | 170.6 | -178.7 | -59.1 | 0 | 0 | 0 | 0 | 116 | | |
| 46 | A | 36.1 | Very low | 43.9 | Very low | 86 Ų | 86 | 137.9 Ų | 137.9 | 71% | 0.711 | 79% | 0.794 | S | S | * | * | | | trans | 95.5 | 118.7 | 139.2 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 47 | L | 40.4 | Very low | 43.8 | Very low | 168 Ų | 168 | 140.8 Ų | 140.8 | 88% | 0.88 | 80% | 0.802 | S | S | * | * | | | trans | 85.8 | 131.5 | 133.8 | -60.1 | 169.1 | 0 | 0 | 0 | 121.1 | | |
| 48 | S | 34.8 | Very low | 44.4 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | | | trans | 82.9 | 91.9 | 134.3 | -173.2 | 0 | 0 | 0 | 0 | 119.9 | | |
| 49 | S | 34.6 | Very low | 44.5 | Very low | 88 Ų | 88 | 132.5 Ų | 132.5 | 62% | 0.615 | 79% | 0.794 | S | S | * | * | | | | 73.4 | 137.2 | 116.7 | -48.7 | 0 | 0 | 0 | 0 | 122.8 | | |
| 50 | H | 38.4 | Very low | 44.8 | Very low | 177 Ų | 177 | 128.6 Ų | 128.6 | 82% | 0.819 | 79% | 0.788 | S | S | * | * | | | trans | 86.7 | 93.4 | 150.2 | -50.8 | -56.8 | 0 | 0 | 0 | 119.2 | | |
| 51 | R | 45.2 | Very low | 45.6 | Very low | 249 Ų | 249 | 131.1 Ų | 131.1 | 94% | 0.94 | 79% | 0.788 | S | S | * | * | | | | -143.6 | 138 | 128.7 | -110.2 | 174.2 | -174.1 | -109.5 | 1.5 | 111.2 | | |
| 52 | T | 48.2 | Very low | 46.5 | Very low | 151 Ų | 151 | 132.4 Ų | 132.4 | 93% | 0.926 | 78% | 0.782 | S | S | * | * | | | trans | -78.8 | 131.7 | -156.6 | -2.3 | 0 | 0 | 0 | 0 | 113.3 | | |
| 53 | G | 54.8 | Low | 46.6 | Very low | 61 Ų | 61 | 136.5 Ų | 136.5 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | | | trans | -156.6 | 136.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 54 | P | 55.9 | Low | 46.3 | Very low | 128 Ų | 128 | 139 Ų | 139 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 140.8 | -178.5 | 26.3 | -31.3 | 0 | 0 | 0 | 110.7 | | |
| 55 | P | 61.7 | Low | 46.9 | Very low | 108 Ų | 108 | 139.5 Ų | 139.5 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 150.9 | -177.4 | 28.2 | -34.1 | 0 | 0 | 0 | 111.8 | I57 | P55-I57 PolarHBondContact O-N 3.33Š|
| 56 | P | 58 | Low | 47 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 124.6 | 173.6 | 26.8 | -32.9 | 0 | 0 | 0 | 110.5 | S58 | P56-S58 PolarHBondContact O-N 3.49Å; P56-S58 PolarHBondContact O-OG 3.28Å |
| 57 | I | 53.5 | Low | 47.5 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 89% | 0.892 | 79% | 0.791 | S | S | * | * | | | trans | -72.3 | 96.3 | -177.5 | -36.1 | 172.4 | 0 | 0 | 0 | 108.3 | P55 | P55-I57 PolarHBondContact O-N 3.33Š|
| 58 | S | 50.9 | Low | 47.8 | Very low | 96 Ų | 96 | 143.2 Ų | 143.2 | 67% | 0.671 | 78% | 0.781 | S | S | * | * | | | trans | -95.9 | 119.3 | 174.4 | -49.1 | 0 | 0 | 0 | 0 | 108.6 | P56 S60 | P56-S58 PolarHBondContact O-N 3.49Å; P56-S58 PolarHBondContact O-OG 3.28Å; S58-S60 PolarHBondContact O-N 3.43Å; S58-S60 VanDerWaalsContact O-N 3.09Å |
| 59 | P | 52 | Low | 47.9 | Very low | 133 Ų | 133 | 142 Ų | 142 | 86% | 0.864 | 78% | 0.784 | S | S | * | * | | | trans | -78.1 | 99.5 | 175.1 | 29.4 | -29.3 | 0 | 0 | 0 | 109.9 | | |
| 60 | S | 41.9 | Very low | 48.3 | Very low | 110 Ų | 110 | 144.4 Ų | 144.4 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | -93.3 | 116.3 | 163 | -179.3 | 0 | 0 | 0 | 0 | 110 | S58 | S58-S60 PolarHBondContact O-N 3.43Å; S58-S60 VanDerWaalsContact O-N 3.09Å |
| 61 | K | 53.3 | Low | 48.7 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | | | trans | -149.7 | 135.9 | 162.6 | -65.6 | -67.8 | -172 | 175.1 | 0 | 105 | | |
| 62 | R | 57.3 | Low | 48.8 | Very low | 186 Ų | 186 | 139.8 Ų | 139.8 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | | | cis | -170.3 | 137.4 | -7.7 | -165.2 | -178.4 | -52.8 | 169.6 | 7.7 | 102.5 | F64 | R62-F64 PolarHBondContact O-N 2.95Š|
| 63 | K | 50.5 | Low | 49.1 | Very low | 205 Ų | 205 | 140.6 Ų | 140.6 | 89% | 0.891 | 78% | 0.782 | S | S | * | * | | | trans | -60.5 | 128.4 | 173 | -66.1 | -109.3 | -173.7 | -178.6 | 0 | 108.9 | | |
| 64 | F | 39.4 | Very low | 48.9 | Very low | 194 Ų | 194 | 145.1 Ų | 145.1 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | | | trans | -121.4 | 127.8 | 153 | -112 | -86.2 | 0 | 0 | 0 | 108 | R62 | R62-F64 PolarHBondContact O-N 2.95Š|
| 65 | S | 43.3 | Very low | 48.4 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -109.6 | 122 | 176.8 | 160.7 | 0 | 0 | 0 | 0 | 106 | | |
| 66 | M | 37.6 | Very low | 47.6 | Very low | 184 Ų | 184 | 145.1 Ų | 145.1 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | | | trans | -175.6 | 131.5 | 153.2 | -161.3 | 78.6 | 121.9 | 0 | 0 | 107.7 | | |
| 67 | E | 45.3 | Very low | 47.2 | Very low | 164 Ų | 164 | 146.9 Ų | 146.9 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | | | trans | -109.3 | -175.3 | 173 | -145.8 | -96.8 | 142.8 | 0 | 0 | 108.3 | | |
| 68 | P | 46.6 | Very low | 46.9 | Very low | 103 Ų | 103 | 143.7 Ų | 143.7 | 67% | 0.669 | 78% | 0.775 | S | S | * | * | | | | -83.4 | 166.2 | -96.2 | 34.2 | -16.8 | 0 | 0 | 0 | 115 | | |
| 69 | G | 38.4 | Very low | 47.2 | Very low | 72 Ų | 72 | 147.5 Ų | 147.5 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | | | trans | -154.4 | 117.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 70 | D | 42.7 | Very low | 47.1 | Very low | 140 Ų | 140 | 146.9 Ų | 146.9 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | | | trans | -76.3 | 113 | 177 | 166.1 | 28.3 | 0 | 0 | 0 | 110.3 | | |
| 71 | E | 45.7 | Very low | 47.6 | Very low | 183 Ų | 183 | 147 Ų | 147 | 86% | 0.855 | 78% | 0.776 | S | S | * | * | | | trans | -151.4 | 110.8 | 162 | -34.9 | -87.2 | 138.1 | 0 | 0 | 108.3 | | |
| 72 | D | 48 | Very low | 47.6 | Very low | 146 Ų | 146 | 148.7 Ų | 148.7 | 78% | 0.781 | 78% | 0.783 | S | S | * | * | | | trans | -31 | 142.1 | 158.8 | -101.1 | -82.8 | 0 | 0 | 0 | 112.7 | | |
| 73 | L | 54.6 | Low | 46.9 | Very low | 168 Ų | 168 | 149.2 Ų | 149.2 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | | | trans | 174.5 | 103 | 135.7 | -87.4 | -174.9 | 0 | 0 | 0 | 109.9 | C75 | L73-C75 PolarHBondContact O-N 3.47Š|
| 74 | D | 50.2 | Low | 46.6 | Very low | 156 Ų | 156 | 145 Ų | 145 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | | | trans | -51.1 | 122.5 | 161 | 178.4 | 42.6 | 0 | 0 | 0 | 111.2 | | |
| 75 | C | 45.2 | Very low | 47.1 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 82% | 0.824 | 79% | 0.793 | S | S | * | * | | | trans | -157.8 | 95.1 | 167.6 | -102.1 | 0 | 0 | 0 | 0 | 111.8 | L73 | L73-C75 PolarHBondContact O-N 3.47Š|
| 76 | D | 44.8 | Very low | 47.5 | Very low | 114 Ų | 114 | 147.5 Ų | 147.5 | 61% | 0.61 | 79% | 0.788 | S | S | * | * | | | | 72.8 | 95.5 | 127.5 | -145.9 | -118.6 | 0 | 0 | 0 | 118.6 | D78 | D76-D78 PolarHBondContact O-N 3.46Å; D76-D78 VanDerWaalsContact O-N 3.15Å |
| 77 | N | 50.1 | Low | 47.6 | Very low | 151 Ų | 151 | 147.5 Ų | 147.5 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | | | trans | -73.5 | 78.3 | 164.2 | 167.4 | 73.5 | 0 | 0 | 0 | 110.7 | | |
| 78 | D | 47.4 | Very low | 47.3 | Very low | 107 Ų | 107 | 145.3 Ų | 145.3 | 57% | 0.572 | 79% | 0.786 | S | S | * | * | | | trans | -144.1 | 63 | 175.4 | -88.4 | -58.9 | 0 | 0 | 0 | 115 | D76 V80 | D76-D78 PolarHBondContact O-N 3.46Å; D76-D78 VanDerWaalsContact O-N 3.15Å; D78-V80 VanDerWaalsContact C-N 3.28Å; D78-V80 PolarHBondContact O-N 3.4Å |
| 79 | H | 56.6 | Low | 47.3 | Very low | 176 Ų | 176 | 145 Ų | 145 | 82% | 0.815 | 78% | 0.784 | S | S | * | * | | | trans | -93 | 15.7 | 177.9 | -43.8 | 21 | 0 | 0 | 0 | 112.3 | S81 | H79-S81 PolarHBondContact O-N 3.36Š|
| 80 | V | 50 | Low | 47.3 | Very low | 120 Ų | 120 | 149.6 Ų | 149.6 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | | | trans | -89.9 | 77.6 | 178.8 | -70.6 | 0 | 0 | 0 | 0 | 111.3 | D78 | D78-V80 VanDerWaalsContact C-N 3.28Å; D78-V80 PolarHBondContact O-N 3.4Å |
| 81 | S | 52.1 | Low | 47.3 | Very low | 113 Ų | 113 | 150.7 Ų | 150.7 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | | | trans | 159.3 | 119.6 | 139.6 | -83.8 | 0 | 0 | 0 | 0 | 112.4 | H79 | H79-S81 PolarHBondContact O-N 3.36Š|
| 82 | K | 53.8 | Low | 46.8 | Very low | 207 Ų | 207 | 149.1 Ų | 149.1 | 90% | 0.9 | 79% | 0.788 | S | S | * | * | | | trans | -162.1 | 85.3 | 147.2 | -113.1 | 168.5 | -172.7 | 171.5 | 0 | 110.1 | | |
| 83 | M | 43.3 | Very low | 46.4 | Very low | 197 Ų | 197 | 152 Ų | 152 | 97% | 0.97 | 79% | 0.794 | S | S | * | * | | | | -156.5 | 95.4 | 129.2 | -74.6 | -153.6 | 75.4 | 0 | 0 | 107.4 | | |
| 84 | S | 43.7 | Very low | 45.5 | Very low | 116 Ų | 116 | 150.3 Ų | 150.3 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | | | trans | -94.7 | 140.5 | 170 | 174.8 | 0 | 0 | 0 | 0 | 109.3 | | |
| 85 | R | 50.2 | Low | 44.9 | Very low | 227 Ų | 227 | 147.2 Ų | 147.2 | 86% | 0.857 | 79% | 0.787 | S | S | * | * | | | trans | 149.1 | 116.9 | 157.4 | -88.2 | -164.3 | -67.7 | -152 | 6.8 | 106 | | |
| 86 | I | 50.6 | Low | 44.4 | Very low | 131 Ų | 131 | 149.8 Ų | 149.8 | 67% | 0.672 | 79% | 0.792 | S | S | * | * | | | cis | -172.2 | 150.8 | 45.3 | 33.6 | 168.6 | 0 | 0 | 0 | 110.9 | | |
| 87 | F | 40.5 | Very low | 44.1 | Very low | 184 Ų | 184 | 147.7 Ų | 147.7 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | | | trans | 69.8 | 101.6 | 164.4 | -54.6 | -63.8 | 0 | 0 | 0 | 120.4 | | |
| 88 | S | 38.9 | Very low | 43.8 | Very low | 118 Ų | 118 | 147 Ų | 147 | 83% | 0.825 | 79% | 0.794 | S | S | * | * | | | trans | -110.5 | 131 | 152.3 | -55 | 0 | 0 | 0 | 0 | 109.4 | | |
| 89 | P | 46.1 | Very low | 43.2 | Very low | 98 Ų | 98 | 147.7 Ų | 147.7 | 64% | 0.636 | 81% | 0.806 | S | S | * | * | | | trans | -98.7 | 106.7 | 158.3 | 23.7 | -6.9 | 0 | 0 | 0 | 110.4 | | |
| 90 | H | 38.8 | Very low | 42.3 | Very low | 168 Ų | 168 | 148.5 Ų | 148.5 | 78% | 0.778 | 80% | 0.802 | S | S | * | * | | | trans | 68.6 | 114.7 | 133.3 | -26.6 | -52.5 | 0 | 0 | 0 | 120.8 | | |
| 91 | L | 42.5 | Very low | 41.7 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | | | | 70.1 | 104.3 | 124.1 | -155.5 | 89.1 | 0 | 0 | 0 | 119.2 | | |
| 92 | N | 36.1 | Very low | 41.1 | Very low | 151 Ų | 151 | 153.4 Ų | 153.4 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | | | | 176.5 | 141.5 | 109.2 | 48 | 14.8 | 0 | 0 | 0 | 113.3 | | |
| 93 | K | 40 | Very low | 40.8 | Very low | 207 Ų | 207 | 148.7 Ų | 148.7 | 90% | 0.9 | 80% | 0.797 | S | S | * | * | | | trans | -79.8 | 134.2 | 173.5 | -87.5 | 164.5 | 156.1 | 174.4 | 0 | 110.4 | | |
| 94 | T | 35.7 | Very low | 40.5 | Very low | 131 Ų | 131 | 149.1 Ų | 149.1 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | -163.4 | 103.1 | 148.3 | 13.7 | 0 | 0 | 0 | 0 | 106.4 | | |
| 95 | A | 36.2 | Very low | 40.1 | Very low | 92 Ų | 92 | 150.8 Ų | 150.8 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | | | | 59.4 | 101.2 | 85.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 96 | N | 35.3 | Very low | 39.5 | Very low | 176 Ų | 176 | 149.8 Ų | 149.8 | 94% | 0.941 | 78% | 0.779 | S | S | * | * | | | trans | 63.3 | 124.1 | 139.9 | -148.7 | -1.4 | 0 | 0 | 0 | 118.6 | | |
| 97 | G | 38.5 | Very low | 38.9 | Very low | 70 Ų | 70 | 147.7 Ų | 147.7 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | | | trans | 151.1 | 91.8 | 163.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 98 | D | 43 | Very low | 38.8 | Very low | 135 Ų | 135 | 150.3 Ų | 150.3 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | | | trans | -46 | 142 | 155.6 | 177.1 | 13.8 | 0 | 0 | 0 | 111.8 | | |
| 99 | C | 35.2 | Very low | 38.8 | Very low | 122 Ų | 122 | 149.8 Ų | 149.8 | 82% | 0.824 | 78% | 0.777 | S | S | * | * | | | trans | -172 | 93.5 | 145.7 | -94.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 100 | R | 37.4 | Very low | 38.8 | Very low | 194 Ų | 194 | 150.4 Ų | 150.4 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | | | | 39.6 | 117.5 | 120.1 | -59.9 | -82.2 | -94.6 | -147.5 | -9.7 | 120.1 | | |
| 101 | K | 37.4 | Very low | 39 | Very low | 180 Ų | 180 | 149.4 Ų | 149.4 | 78% | 0.783 | 78% | 0.78 | S | S | * | * | | | | 60.3 | 118.1 | 128.3 | -45.5 | -67.6 | 179.5 | -179.2 | 0 | 120 | | |
| 102 | D | 39.4 | Very low | 38.6 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 83% | 0.829 | 77% | 0.767 | S | S | * | * | | | trans | -31.3 | 166.3 | 149 | -87.9 | -73.6 | 0 | 0 | 0 | 115.7 | | |
| 103 | P | 48.8 | Very low | 38.8 | Very low | 109 Ų | 109 | 150.1 Ų | 150.1 | 71% | 0.708 | 77% | 0.765 | S | S | * | * | | | cis | -149.1 | -174.4 | 29.2 | 30.1 | -3.9 | 0 | 0 | 0 | 115.8 | | |
| 104 | R | 35.3 | Very low | 38.5 | Very low | 205 Ų | 205 | 144.1 Ų | 144.1 | 77% | 0.774 | 75% | 0.754 | S | S | * | * | | | trans | 119.7 | 126.5 | 131.5 | -131.9 | -159.5 | -90.1 | -122.7 | -12.3 | 117.5 | | |
| 105 | E | 37.2 | Very low | 38.5 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 71% | 0.71 | 76% | 0.757 | S | S | * | * | | | trans | 72.3 | 152.2 | 151.7 | -52.6 | -146.9 | 165.1 | 0 | 0 | 119 | | |
| 106 | R | 36.6 | Very low | 38.5 | Very low | 205 Ų | 205 | 144.2 Ų | 144.2 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | | | cis | 177.1 | 134.3 | -22.7 | 179.5 | 162.7 | 178.8 | 159.1 | 1.5 | 102.5 | | |
| 107 | S | 37 | Very low | 39.3 | Very low | 88 Ų | 88 | 141 Ų | 141 | 62% | 0.615 | 74% | 0.742 | S | S | * | * | | | trans | 60.4 | 123.3 | 149.9 | 67.1 | 0 | 0 | 0 | 0 | 122.2 | | |
| 108 | R | 40 | Very low | 39.3 | Very low | 238 Ų | 238 | 143.6 Ų | 143.6 | 90% | 0.898 | 74% | 0.744 | S | S | * | * | | | | 64.2 | 116.4 | 122 | -60.6 | -179.1 | -172.2 | -125.6 | 2.6 | 119.1 | | |
| 109 | S | 39.3 | Very low | 39.3 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 75% | 0.748 | 75% | 0.745 | S | S | * | * | | | trans | -40.6 | 158.6 | 149.4 | 55.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 110 | P | 45.3 | Very low | 39.3 | Very low | 111 Ų | 111 | 143.1 Ų | 143.1 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | | | | -160.3 | 174.1 | 60.6 | 38.8 | -14.4 | 0 | 0 | 0 | 119.7 | | |
| 111 | I | 41.8 | Very low | 39.7 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | | | trans | 58.1 | 129.1 | 144.1 | -152.9 | 94.2 | 0 | 0 | 0 | 121.2 | | |
| 112 | E | 36 | Very low | 40 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 58% | 0.584 | 75% | 0.749 | S | S | * | * | | | | 151.1 | 131.6 | 121.1 | -88.3 | 178.1 | 144.5 | 0 | 0 | 115.7 | | |
| 113 | R | 39.1 | Very low | 39.9 | Very low | 203 Ų | 203 | 138.8 Ų | 138.8 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | | | trans | 66.8 | 153.8 | 150 | -64.5 | 179.8 | -172.4 | 92.2 | 16.8 | 117.2 | | |
| 114 | A | 34.6 | Very low | 39.3 | Very low | 81 Ų | 81 | 137.7 Ų | 137.7 | 67% | 0.669 | 75% | 0.745 | S | S | * | * | | | cis | -177.1 | 169.5 | -18.6 | 0 | 0 | 0 | 0 | 0 | 105.8 | | |
| 115 | V | 34.1 | Very low | 39.4 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 87% | 0.867 | 74% | 0.744 | S | S | * | * | | | trans | 82.2 | 118.1 | 155.3 | -174.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 116 | A | 36.7 | Very low | 39.8 | Very low | 82 Ų | 82 | 135 Ų | 135 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | trans | -72.8 | -165.6 | 159.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 117 | P | 52.1 | Low | 40 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 71% | 0.708 | 75% | 0.747 | S | S | * | * | | | cis | -135.1 | 179.7 | -7.8 | 40.7 | -23 | 0 | 0 | 0 | 112.7 | | |
| 118 | T | 39.8 | Very low | 40 | Very low | 124 Ų | 124 | 137 Ų | 137 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | | | trans | -175.3 | 110.3 | 139.8 | 168.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 119 | M | 42.5 | Very low | 39.9 | Very low | 149 Ų | 149 | 131.4 Ų | 131.4 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | | | trans | 57 | 113.7 | 132.5 | -54.7 | -62.3 | 95.6 | 0 | 0 | 119.5 | | |
| 120 | S | 34.8 | Very low | 40 | Very low | 98 Ų | 98 | 134.2 Ų | 134.2 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | | | | 82.7 | 117.5 | 86.2 | -168.6 | 0 | 0 | 0 | 0 | 112.2 | | |
| 121 | L | 46.5 | Very low | 40.1 | Very low | 169 Ų | 169 | 134.4 Ų | 134.4 | 89% | 0.885 | 76% | 0.758 | S | S | * | * | | | | -170.3 | 138.7 | 109 | -92.2 | 170.8 | 0 | 0 | 0 | 111.2 | | |
| 122 | H | 42.3 | Very low | 39.9 | Very low | 188 Ų | 188 | 132.9 Ų | 132.9 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | | | trans | -65 | 144.3 | -179.6 | -131.2 | -101.1 | 0 | 0 | 0 | 112 | | |
| 123 | G | 37.5 | Very low | 40.4 | Very low | 81 Ų | 81 | 135.4 Ų | 135.4 | 84% | 0.835 | 78% | 0.777 | S | S | * | * | | | trans | -164.8 | 104 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 124 | S | 36.4 | Very low | 40.5 | Very low | 86 Ų | 86 | 129.3 Ų | 129.3 | 60% | 0.601 | 78% | 0.777 | S | S | * | * | | | trans | -87.7 | 158.6 | -162.8 | 57.8 | 0 | 0 | 0 | 0 | 115.5 | | |
| 125 | H | 38.8 | Very low | 41.1 | Very low | 164 Ų | 164 | 134 Ų | 134 | 76% | 0.759 | 79% | 0.79 | S | S | * | * | | | trans | 71 | 132.1 | 143.3 | -82.3 | -55.9 | 0 | 0 | 0 | 116.1 | | |
| 126 | L | 43.8 | Very low | 41.9 | Very low | 138 Ų | 138 | 135 Ų | 135 | 72% | 0.723 | 79% | 0.785 | S | S | * | * | | | cis | -165.3 | 168 | 19 | -76.9 | 136.5 | 0 | 0 | 0 | 108.9 | | |
| 127 | Y | 40.9 | Very low | 42.2 | Very low | 210 Ų | 210 | 140 Ų | 140 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | | | trans | 87 | 98.4 | 163.9 | -73.7 | -84.7 | 0 | 0 | 0 | 119.8 | | |
| 128 | T | 36.8 | Very low | 42.1 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | | | | 1.1 | 121.5 | 123.9 | -68.5 | 0 | 0 | 0 | 0 | 116.6 | | |
| 129 | S | 38.9 | Very low | 42.5 | Very low | 121 Ų | 121 | 141.4 Ų | 141.4 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | | | trans | -157.4 | 126.3 | 141.4 | -69.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 130 | L | 41.4 | Very low | 42.9 | Very low | 166 Ų | 166 | 138.4 Ų | 138.4 | 87% | 0.869 | 80% | 0.795 | S | S | * | * | | | trans | -78 | 174.8 | -172.1 | -87.4 | 174.6 | 0 | 0 | 0 | 113.3 | | |
| 131 | P | 47.1 | Very low | 43.6 | Very low | 116 Ų | 116 | 142 Ų | 142 | 75% | 0.753 | 81% | 0.805 | S | S | * | * | | | trans | -93.5 | 160.9 | -145.3 | 38.9 | -35.1 | 0 | 0 | 0 | 113.3 | | |
| 132 | S | 38.4 | Very low | 43.9 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 80% | 0.797 | 79% | 0.794 | S | S | * | * | | | trans | -143.7 | 103.2 | 161.6 | -163.2 | 0 | 0 | 0 | 0 | 111.2 | G134 | S132-G134 PolarHBondContact O-N 3.22Š|
| 133 | L | 46.8 | Very low | 44.3 | Very low | 179 Ų | 179 | 139.4 Ų | 139.4 | 94% | 0.937 | 79% | 0.793 | S | S | * | * | | | trans | 14.8 | 94.5 | 145.2 | -59.5 | 170.7 | 0 | 0 | 0 | 116.1 | | |
| 134 | G | 40.5 | Very low | 44.7 | Very low | 74 Ų | 74 | 142.5 Ų | 142.5 | 76% | 0.763 | 79% | 0.791 | S | S | * | * | | | trans | -110.2 | 116.4 | 159 | 0 | 0 | 0 | 0 | 0 | 108.7 | S132 | S132-G134 PolarHBondContact O-N 3.22Š|
| 135 | L | 47.6 | Very low | 45.1 | Very low | 179 Ų | 179 | 142.6 Ų | 142.6 | 94% | 0.937 | 79% | 0.791 | S | S | * | * | | | trans | -48.6 | 151.7 | 171.5 | -62.9 | 159.5 | 0 | 0 | 0 | 111.2 | | |
| 136 | E | 50.1 | Low | 45.4 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 77% | 0.771 | 80% | 0.799 | S | S | * | * | | | trans | 106.2 | 96.1 | 166.6 | -151.9 | -88 | 143.9 | 0 | 0 | 115.1 | | |
| 137 | Q | 43.3 | Very low | 45.3 | Very low | 187 Ų | 187 | 144.6 Ų | 144.6 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | | | trans | -156.5 | 125.3 | 140.7 | -140 | -177.9 | 18.9 | 0 | 0 | 112.3 | | |
| 138 | P | 49.1 | Very low | 45.1 | Very low | 95 Ų | 95 | 138.4 Ų | 138.4 | 62% | 0.617 | 80% | 0.8 | S | S | * | * | | | trans | -85.2 | 148.2 | -179.4 | 32.8 | -32.8 | 0 | 0 | 0 | 113.1 | | |
| 139 | L | 47.9 | Very low | 45.1 | Very low | 167 Ų | 167 | 138.5 Ų | 138.5 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | 23.1 | 112.5 | 162.5 | -93.9 | 69.3 | 0 | 0 | 0 | 118.3 | | |
| 140 | A | 51.2 | Low | 45.5 | Very low | 86 Ų | 86 | 144.2 Ų | 144.2 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | | | trans | -115 | 113.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | T142 | A140-T142 HydrophobicContact CB-CG2 4.37Å; A140-T142 PolarHBondContact O-N 3.45Å; A140-T142 VanDerWaalsContact O-N 3.13Å |
| 141 | L | 50.4 | Low | 45.7 | Very low | 174 Ų | 174 | 141.7 Ų | 141.7 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | | | trans | -59.5 | 104.2 | 164.6 | -67.8 | 163.6 | 0 | 0 | 0 | 108.6 | | |
| 142 | T | 51.5 | Low | 45.2 | Very low | 104 Ų | 104 | 141 Ų | 141 | 64% | 0.638 | 81% | 0.806 | S | S | * | * | | | trans | -111.9 | 120.8 | 171.5 | 65.9 | 0 | 0 | 0 | 0 | 109.7 | A140 N144 | A140-T142 HydrophobicContact CB-CG2 4.37Å; A140-T142 PolarHBondContact O-N 3.45Å; A140-T142 VanDerWaalsContact O-N 3.13Å; T142-N144 VanDerWaalsContact C-OD1 3.3Å; T142-N144 PolarHBondContact O-OD1 3.15Å; T142-N144 PolarHBondContact OG1-OD1 2.95Å |
| 143 | K | 50.9 | Low | 45.1 | Very low | 199 Ų | 199 | 138.8 Ų | 138.8 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | | | trans | -82.1 | 104.5 | 169.3 | 165.7 | -171.8 | 163.6 | -178.1 | 0 | 105.7 | S145 | K143-S145 PolarHBondContact O-N 3.48Š|
| 144 | N | 46.5 | Very low | 44.8 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | | | trans | -92.2 | 89.5 | -179.2 | -48.6 | 37.7 | 0 | 0 | 0 | 107.7 | T142 | T142-N144 VanDerWaalsContact C-OD1 3.3Å; T142-N144 PolarHBondContact O-OD1 3.15Å; T142-N144 PolarHBondContact OG1-OD1 2.95Å |
| 145 | S | 45.6 | Very low | 44.6 | Very low | 88 Ų | 88 | 140 Ų | 140 | 62% | 0.615 | 80% | 0.798 | S | S | * | * | | | trans | -114.5 | 118.3 | 157.4 | 167.9 | 0 | 0 | 0 | 0 | 105.7 | K143 | K143-S145 PolarHBondContact O-N 3.48Š|
| 146 | L | 45.5 | Very low | 44.5 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | | | trans | 157.6 | 125 | 150.8 | -80.3 | 149.4 | 0 | 0 | 0 | 107.9 | | |
| 147 | D | 41.1 | Very low | 44.2 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | | | trans | -84.2 | 172.4 | -171 | -149.6 | -27.8 | 0 | 0 | 0 | 112.4 | | |
| 148 | A | 36.3 | Very low | 44.1 | Very low | 81 Ų | 81 | 132.8 Ų | 132.8 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | | | trans | 91.4 | 92.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 149 | S | 36 | Very low | 43.8 | Very low | 125 Ų | 125 | 134 Ų | 134 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | | | | 172.8 | 124 | 106.3 | 41.1 | 0 | 0 | 0 | 0 | 112.2 | | |
| 150 | R | 49.2 | Very low | 43.8 | Very low | 240 Ų | 240 | 133 Ų | 133 | 91% | 0.906 | 79% | 0.791 | S | S | * | * | | | trans | -60.5 | 180 | 179.6 | -90 | 177.2 | 159.7 | -145 | -2.7 | 114.7 | | |
| 151 | P | 45 | Very low | 43.5 | Very low | 114 Ų | 114 | 131.2 Ų | 131.2 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | | | cis | -135.7 | 151.7 | -15.5 | 30.2 | -10.6 | 0 | 0 | 0 | 114 | | |
| 152 | A | 36.3 | Very low | 43.6 | Very low | 101 Ų | 101 | 132.1 Ų | 132.1 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | | | trans | -171.8 | 114.3 | 141.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 153 | G | 37.1 | Very low | 43.5 | Very low | 67 Ų | 67 | 138.8 Ų | 138.8 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | | | trans | 82.8 | 120 | 140.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 154 | L | 39.3 | Very low | 43.4 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 91% | 0.911 | 80% | 0.795 | S | S | * | * | | | trans | 83.8 | 92.8 | 146.5 | -39.3 | -179.7 | 0 | 0 | 0 | 116 | | |
| 155 | S | 37.6 | Very low | 43.8 | Very low | 104 Ų | 104 | 140.9 Ų | 140.9 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | | | trans | -86 | 142.4 | 142.2 | -163.1 | 0 | 0 | 0 | 0 | 107.4 | T157 | S155-T157 PolarHBondContact OG-N 2.79Š|
| 156 | P | 44.7 | Very low | 43.9 | Very low | 120 Ų | 120 | 144 Ų | 144 | 78% | 0.779 | 81% | 0.812 | S | S | * | * | | | | -134 | 126.9 | 104.3 | 33.4 | -20.7 | 0 | 0 | 0 | 112.2 | | |
| 157 | T | 44.5 | Very low | 44.8 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 69% | 0.687 | 81% | 0.808 | S | S | * | * | | | trans | -37.7 | 131.9 | 139.5 | -61.1 | 0 | 0 | 0 | 0 | 110.2 | S155 | S155-T157 PolarHBondContact OG-N 2.79Š|
| 158 | L | 40.8 | Very low | 45.3 | Very low | 149 Ų | 149 | 144 Ų | 144 | 78% | 0.78 | 80% | 0.803 | S | S | * | * | | | trans | 166.9 | 130.2 | 132.3 | -84.3 | -176.2 | 0 | 0 | 0 | 111.9 | | |
| 159 | T | 43.6 | Very low | 46.3 | Very low | 119 Ų | 119 | 145.3 Ų | 145.3 | 73% | 0.73 | 81% | 0.808 | S | S | * | * | | | trans | 78.9 | 119.1 | 160 | 68.5 | 0 | 0 | 0 | 0 | 120.9 | G161 | T159-G161 PolarHBondContact O-N 2.84Š|
| 160 | P | 46.6 | Very low | 47.2 | Very low | 147 Ų | 147 | 145 Ų | 145 | 96% | 0.955 | 80% | 0.8 | S | S | * | * | | | trans | -82.5 | 75.3 | 146.4 | 26 | -12.9 | 0 | 0 | 0 | 108.1 | | |
| 161 | G | 44.3 | Very low | 47.8 | Very low | 48 Ų | 48 | 140.6 Ų | 140.6 | 50% | 0.495 | 79% | 0.793 | S | S | . | * | | | trans | -108.5 | 121.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | T159 | T159-G161 PolarHBondContact O-N 2.84Š|
| 162 | E | 52.8 | Low | 48.6 | Very low | 194 Ų | 194 | 140.9 Ų | 140.9 | 91% | 0.907 | 79% | 0.793 | S | S | * | * | | | trans | 49.3 | 82.5 | 152 | -70.4 | 174.2 | 122.6 | 0 | 0 | 118 | | |
| 163 | R | 49.3 | Very low | 49.5 | Very low | 243 Ų | 243 | 141.4 Ų | 141.4 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | | | trans | -116 | 102.4 | 143.3 | -68.7 | -168.9 | 74.6 | 140.4 | 1.2 | 109.6 | Q165 | R163-Q165 PolarHBondContact O-N 3.37Š|
| 164 | Q | 48.8 | Very low | 50.4 | Low | 190 Ų | 190 | 142.5 Ų | 142.5 | 89% | 0.888 | 79% | 0.792 | S | S | * | * | | | trans | 5.9 | 104.1 | 159.7 | -72.9 | 178.1 | -17.9 | 0 | 0 | 116 | N166 | Q164-N166 PolarHBondContact O-N 3.39Å; Q164-N166 VanDerWaalsContact O-N 3.07Å |
| 165 | Q | 55 | Low | 51 | Low | 199 Ų | 199 | 139.9 Ų | 139.9 | 93% | 0.93 | 79% | 0.788 | S | S | * | * | | | trans | -62.6 | 96.1 | 160.4 | -65.2 | 169 | -11.8 | 0 | 0 | 109.3 | R163 | R163-Q165 PolarHBondContact O-N 3.37Š|
| 166 | N | 48 | Very low | 51.7 | Low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | | | trans | -118.7 | 38.6 | 163.9 | -154 | 92.5 | 0 | 0 | 0 | 112.3 | Q164 | Q164-N166 PolarHBondContact O-N 3.39Å; Q164-N166 VanDerWaalsContact O-N 3.07Å |
| 167 | R | 64.4 | Low | 52.1 | Low | 222 Ų | 222 | 135.9 Ų | 135.9 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -122.5 | 117.8 | 156.3 | -93.4 | -168.3 | 174.9 | -141.6 | 0.6 | 108 | S169 | R167-S169 PolarHBondContact O-N 3Š|
| 168 | P | 51.7 | Low | 52.7 | Low | 122 Ų | 122 | 134.9 Ų | 134.9 | 79% | 0.792 | 78% | 0.78 | S | S | * | * | | | trans | -61.1 | 106 | 162.1 | 26 | -29.8 | 0 | 0 | 0 | 106.7 | V170 | P168-V170 VanDerWaalsContact C-N 3.28Å; P168-V170 PolarHBondContact O-N 3.41Å |
| 169 | S | 57.1 | Low | 53.7 | Low | 109 Ų | 109 | 137.2 Ų | 137.2 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | | | trans | -73.5 | 84.6 | 177.3 | 49 | 0 | 0 | 0 | 0 | 109.1 | R167 | R167-S169 PolarHBondContact O-N 3Š|
| 170 | V | 55.1 | Low | 54.4 | Low | 119 Ų | 119 | 138.2 Ų | 138.2 | 72% | 0.721 | 78% | 0.779 | S | S | * | * | | | trans | -98.7 | 87.2 | 156 | -176.2 | 0 | 0 | 0 | 0 | 106.3 | P168 | P168-V170 VanDerWaalsContact C-N 3.28Å; P168-V170 PolarHBondContact O-N 3.41Å |
| 171 | I | 61.3 | Low | 54.8 | Low | 146 Ų | 146 | 136.1 Ų | 136.1 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | | | trans | -105.2 | 88.3 | 160.1 | -58.7 | 175.6 | 0 | 0 | 0 | 104.9 | C173 | I171-C173 PolarHBondContact O-N 2.87Å; I171-C173 VanDerWaalsContact O-N 3.09Å |
| 172 | T | 61.8 | Low | 55.4 | Low | 120 Ų | 120 | 141.2 Ų | 141.2 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | | | trans | -69.9 | 101.1 | 166.8 | -58.3 | 0 | 0 | 0 | 0 | 107 | A174 | T172-A174 PolarHBondContact O-N 3.26Å; T172-A174 VanDerWaalsContact O-N 3.08Å |
| 173 | C | 55.7 | Low | 56 | Low | 112 Ų | 112 | 138.4 Ų | 138.4 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | | | trans | -64.1 | 108.9 | 168.6 | -62.9 | 0 | 0 | 0 | 0 | 108.2 | I171 S175 | I171-C173 PolarHBondContact O-N 2.87Å; I171-C173 VanDerWaalsContact O-N 3.09Å; C173-S175 PolarHBondContact O-N 3.04Å |
| 174 | A | 56.9 | Low | 56.5 | Low | 91 Ų | 91 | 132.2 Ų | 132.2 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | | | trans | -65.3 | 132.7 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | T172 A176 | T172-A174 PolarHBondContact O-N 3.26Å; T172-A174 VanDerWaalsContact O-N 3.08Å; A174-A176 PolarHBondContact O-N 3.41Å; A174-A176 VanDerWaalsContact O-N 3.13Å |
| 175 | S | 51.3 | Low | 56.6 | Low | 119 Ų | 119 | 131.4 Ų | 131.4 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | -53.2 | 115.5 | -177 | 178.1 | 0 | 0 | 0 | 0 | 111.5 | C173 G177 | C173-S175 PolarHBondContact O-N 3.04Å; S175-G177 PolarHBondContact O-N 3.26Å; S175-G177 VanDerWaalsContact O-N 3.11Å |
| 176 | A | 51.4 | Low | 56.5 | Low | 84 Ų | 84 | 125.3 Ų | 125.3 | 69% | 0.694 | 74% | 0.742 | S | S | * | * | | | trans | -66.6 | 109.8 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | A174 A178 | A174-A176 PolarHBondContact O-N 3.41Å; A174-A176 VanDerWaalsContact O-N 3.13Å; A176-A178 PolarHBondContact O-N 3.46Å |
| 177 | G | 53.4 | Low | 56.9 | Low | 56 Ų | 56 | 123.5 Ų | 123.5 | 58% | 0.577 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -52.5 | 133.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | S175 | S175-G177 PolarHBondContact O-N 3.26Å; S175-G177 VanDerWaalsContact O-N 3.11Å |
| 178 | A | 58.3 | Low | 56.6 | Low | 91 Ų | 91 | 120.3 Ų | 120.3 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | S | Bend | trans | 54.1 | 62.3 | 160.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | A176 | A176-A178 PolarHBondContact O-N 3.46Š|
| 179 | R | 62 | Low | 56.5 | Low | 198 Ų | 198 | 118.4 Ų | 118.4 | 75% | 0.747 | 73% | 0.731 | S | S | * | * | | | trans | -125.9 | 128.9 | 154.6 | -48.5 | -68.1 | 166.7 | -124.5 | 3.2 | 107.2 | C181 | R179-C181 PolarHBondContact O-N 2.97Š|
| 180 | N | 58.3 | Low | 55.8 | Low | 140 Ų | 140 | 121.7 Ų | 121.7 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | | | trans | -58.9 | 103.8 | -178.8 | 48.6 | 10.3 | 0 | 0 | 0 | 111.3 | N182 | N180-N182 PolarHBondContact O-N 2.86Š|
| 181 | C | 54.1 | Low | 55.7 | Low | 103 Ų | 103 | 122 Ų | 122 | 70% | 0.696 | 74% | 0.742 | S | S | * | * | | | trans | -75.6 | 108.6 | 170.6 | -66.9 | 0 | 0 | 0 | 0 | 109.1 | R179 L183 | R179-C181 PolarHBondContact O-N 2.97Å; C181-L183 PolarHBondContact O-N 3.4Å; C181-L183 VanDerWaalsContact O-N 3.17Å |
| 182 | N | 56.3 | Low | 55.3 | Low | 155 Ų | 155 | 119 Ų | 119 | 83% | 0.829 | 75% | 0.746 | S | S | * | * | | | trans | -81.7 | 30.3 | 173.1 | -74.5 | -60 | 0 | 0 | 0 | 112.8 | N180 | N180-N182 PolarHBondContact O-N 2.86Š|
| 183 | L | 65.5 | Low | 54.3 | Low | 134 Ų | 134 | 119.2 Ų | 119.2 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | | | trans | -100.6 | 115.1 | 177.5 | -149 | 70.8 | 0 | 0 | 0 | 108.3 | C181 H185 | C181-L183 PolarHBondContact O-N 3.4Å; C181-L183 VanDerWaalsContact O-N 3.17Å; L183-H185 PolarHBondContact O-N 3.23Å |
| 184 | S | 59.3 | Low | 54 | Low | 114 Ų | 114 | 118.5 Ų | 118.5 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -68.3 | 3 | -168.5 | 43.7 | 0 | 0 | 0 | 0 | 115.8 | | |
| 185 | H | 52.6 | Low | 53.8 | Low | 172 Ų | 172 | 118.5 Ų | 118.5 | 80% | 0.796 | 75% | 0.754 | S | S | * | * | | | trans | -144.1 | 80.3 | 176.5 | -84.6 | -75.7 | 0 | 0 | 0 | 112.1 | L183 | L183-H185 PolarHBondContact O-N 3.23Š|
| 186 | C | 51.9 | Low | 53.5 | Low | 71 Ų | 71 | 118.9 Ų | 118.9 | 48% | 0.48 | 75% | 0.753 | S | S | . | * | | | trans | -97.8 | 119.8 | 160.8 | -67.4 | 0 | 0 | 0 | 0 | 108.4 | I188 | C186-I188 VanDerWaalsContact C-N 3.29Å; C186-I188 PolarHBondContact O-N 2.97Å |
| 187 | P | 56.8 | Low | 53.5 | Low | 115 Ų | 115 | 117.7 Ų | 117.7 | 75% | 0.747 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -79.3 | -4.9 | -174.9 | 29.6 | -32.4 | 0 | 0 | 0 | 114.3 | | |
| 188 | I | 57.2 | Low | 53.4 | Low | 155 Ų | 155 | 121.8 Ų | 121.8 | 80% | 0.795 | 77% | 0.766 | S | S | * | * | | | trans | -115 | 75.7 | 175 | -83.2 | 80.7 | 0 | 0 | 0 | 109 | C186 | C186-I188 VanDerWaalsContact C-N 3.29Å; C186-I188 PolarHBondContact O-N 2.97Å |
| 189 | A | 50.2 | Low | 52.4 | Low | 83 Ų | 83 | 121.3 Ų | 121.3 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | | | trans | -135.9 | 76.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 190 | H | 42.8 | Very low | 51.7 | Low | 178 Ų | 178 | 117.3 Ų | 117.3 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | | | trans | -107.2 | 112.4 | 168 | -78.5 | -74.7 | 0 | 0 | 0 | 109.9 | | |
| 191 | S | 53.6 | Low | 50.7 | Low | 126 Ų | 126 | 120.8 Ų | 120.8 | 88% | 0.881 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 69.6 | 104.3 | 146 | -166.9 | 0 | 0 | 0 | 0 | 118.7 | | |
| 192 | G | 52.1 | Low | 50.5 | Low | 82 Ų | 82 | 127.9 Ų | 127.9 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | | | trans | 101.6 | 68 | 146.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 193 | C | 40.3 | Very low | 49.6 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 84% | 0.838 | 78% | 0.781 | S | S | * | * | | | trans | -127.7 | 96.5 | 162.8 | -168 | 0 | 0 | 0 | 0 | 109.2 | | |
| 194 | A | 50.6 | Low | 48.4 | Very low | 98 Ų | 98 | 129.7 Ų | 129.7 | 81% | 0.81 | 78% | 0.779 | S | S | * | * | | | trans | -68.3 | 128.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 195 | A | 51.4 | Low | 47.8 | Very low | 91 Ų | 91 | 130.3 Ų | 130.3 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | | | trans | -59.9 | 136.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G197 | A195-G197 PolarHBondContact O-N 3.41Š|
| 196 | P | 46.1 | Very low | 47.3 | Very low | 127 Ų | 127 | 126.6 Ų | 126.6 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | -84.8 | 106.2 | 163.5 | 29.5 | -23.3 | 0 | 0 | 0 | 108.7 | | |
| 197 | G | 50.3 | Low | 47.4 | Very low | 58 Ų | 58 | 128.1 Ų | 128.1 | 60% | 0.598 | 79% | 0.792 | S | S | * | * | | | trans | -67.1 | 156.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 111 | A195 A199 | A195-G197 PolarHBondContact O-N 3.41Å; G197-A199 PolarHBondContact O-N 3.13Å |
| 198 | P | 52.2 | Low | 47.3 | Very low | 143 Ų | 143 | 127 Ų | 127 | 93% | 0.929 | 79% | 0.792 | S | S | * | * | | | trans | -80.1 | 104.8 | -175.2 | 32.4 | -29.9 | 0 | 0 | 0 | 109.2 | | |
| 199 | A | 37 | Very low | 47 | Very low | 80 Ų | 80 | 125 Ų | 125 | 66% | 0.661 | 79% | 0.787 | S | S | * | * | | | trans | -127.9 | 101.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110 | G197 Y201 | G197-A199 PolarHBondContact O-N 3.13Å; A199-Y201 PolarHBondContact O-N 2.89Å |
| 200 | S | 47.1 | Very low | 47.6 | Very low | 115 Ų | 115 | 128 Ų | 128 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | | | trans | -51.7 | 93.9 | 161.2 | 165.1 | 0 | 0 | 0 | 0 | 110.8 | | |
| 201 | Y | 38.3 | Very low | 48.7 | Very low | 212 Ų | 212 | 122.8 Ų | 122.8 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | | | trans | -141.9 | 112.5 | 151 | -72.3 | -76.3 | 0 | 0 | 0 | 109.2 | A199 R203 | A199-Y201 PolarHBondContact O-N 2.89Å; Y201-R203 VanDerWaalsContact C-N 3.32Å; Y201-R203 PolarHBondContact O-N 3.2Å |
| 202 | R | 48.1 | Very low | 50.2 | Low | 252 Ų | 252 | 120.8 Ų | 120.8 | 95% | 0.951 | 76% | 0.759 | S | S | * | * | | | trans | -52.6 | 91.9 | 165.1 | -169.8 | -162.5 | -138.2 | -121.9 | 9.3 | 108.8 | | |
| 203 | R | 38.9 | Very low | 51.8 | Low | 225 Ų | 225 | 121.8 Ų | 121.8 | 85% | 0.849 | 75% | 0.751 | S | S | * | * | | | trans | -74.6 | 125.7 | 169.6 | -178.6 | 170.6 | -87.9 | 169.9 | -6.3 | 107.6 | Y201 | Y201-R203 VanDerWaalsContact C-N 3.32Å; Y201-R203 PolarHBondContact O-N 3.2Å |
| 204 | P | 38.9 | Very low | 54.2 | Low | 103 Ų | 103 | 120.6 Ų | 120.6 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | | | trans | -57.5 | 136 | 171.4 | -17.2 | 28.9 | 0 | 0 | 0 | 108.5 | S206 | P204-S206 PolarHBondContact O-N 3.46Š|
| 205 | P | 46.3 | Very low | 56.1 | Low | 126 Ų | 126 | 119 Ų | 119 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | | | trans | -63.7 | 105.9 | 171.5 | 25.5 | -29.1 | 0 | 0 | 0 | 107.1 | A207 | P205-A207 VanDerWaalsContact C-N 3.32Å; P205-A207 PolarHBondContact O-N 2.93Å |
| 206 | S | 44.1 | Very low | 58.1 | Low | 95 Ų | 95 | 116.6 Ų | 116.6 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | | | trans | -64.3 | 99.6 | 165.9 | 52.3 | 0 | 0 | 0 | 0 | 106.7 | P204 A208 | P204-S206 PolarHBondContact O-N 3.46Å; S206-A208 PolarHBondContact O-N 2.72Å |
| 207 | A | 53.6 | Low | 60.3 | Low | 103 Ų | 103 | 114 Ų | 114 | 85% | 0.851 | 67% | 0.67 | S | S | * | * | S | Bend | trans | -68.5 | 73.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | P205 | P205-A207 VanDerWaalsContact C-N 3.32Å; P205-A207 PolarHBondContact O-N 2.93Å |
| 208 | A | 54.1 | Low | 62.4 | Low | 90 Ų | 90 | 116.9 Ų | 116.9 | 74% | 0.744 | 67% | 0.667 | S | S | * | * | | | trans | -168.4 | 59.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | S206 | S206-A208 PolarHBondContact O-N 2.72Š|
| 209 | T | 51.1 | Low | 64.4 | Low | 113 Ų | 113 | 114.4 Ų | 114.4 | 69% | 0.693 | 64% | 0.642 | S | S | * | * | | | trans | -114.3 | 116.1 | 161 | 22 | 0 | 0 | 0 | 0 | 105.9 | C211 | T209-C211 PolarHBondContact O-N 3.27Š|
| 210 | T | 61.9 | Low | 67.1 | Low | 147 Ų | 147 | 116 Ų | 116 | 90% | 0.902 | 63% | 0.631 | S | S | * | * | | | trans | -58.2 | 81.6 | 172.5 | -54.1 | 0 | 0 | 0 | 0 | 108.3 | D212 | T210-D212 PolarHBondContact O-N 2.94Š|
| 211 | C | 66.4 | Low | 69.3 | Low | 68 Ų | 68 | 119.7 Ų | 119.7 | 46% | 0.459 | 63% | 0.627 | S | S | . | * | | | trans | -62.5 | 133.7 | 168 | -71.4 | 0 | 0 | 0 | 0 | 107.5 | T209 | T209-C211 PolarHBondContact O-N 3.27Š|
| 212 | D | 84.8 | Confident | 72 | Confident | 84 Ų | 84 | 113.1 Ų | 113.1 | 45% | 0.449 | 61% | 0.612 | S | S | . | * | | | trans | -53.5 | 124.6 | 174.2 | 173.7 | -7.3 | 0 | 0 | 0 | 109.2 | T210 V214 V215 E216 | T210-D212 PolarHBondContact O-N 2.94Å; D212-V214 PolarHBondContact O-N 3.18Å; D212-V214 VanDerWaalsContact O-N 3.08Å; D212-V214 PolarHBondContact OD1-N 3.43Å; D212-V215 HydrophobicContact CB-CB 4.05Å; D212-V215 HydrophobicContact CB-CG2 3.86Å; D212-V215 WeakPolarHBondContact O-CB 3.48Å; D212-V215 PolarHBondContact O-N 3Å; D212-E216 PolarHBondContact O-N 3.34Å |
| 213 | P | 86.2 | Confident | 74.1 | Confident | 103 Ų | 103 | 104.9 Ų | 104.9 | 67% | 0.669 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -52.1 | -32.6 | -179.2 | -27.3 | 34.3 | 0 | 0 | 0 | 114.2 | E217 | P213-E217 WeakPolarHBondContact O-CB 3.25Å; P213-E217 PolarHBondContact O-N 2.83Å |
| 214 | V | 91.1 | Very high | 76.5 | Confident | 99 Ų | 99 | 96.3 Ų | 96.3 | 60% | 0.6 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -72.4 | -42.3 | 179.6 | -179.6 | 0 | 0 | 0 | 0 | 110.8 | D212 E216 E217 H218 | D212-V214 PolarHBondContact O-N 3.18Å; D212-V214 VanDerWaalsContact O-N 3.08Å; D212-V214 PolarHBondContact OD1-N 3.43Å; V214-E216 VanDerWaalsContact C-N 3.32Å; V214-E217 PolarHBondContact O-N 3.2Å; V214-H218 PolarHBondContact O-N 3.38Å |
| 215 | V | 91.2 | Very high | 78.8 | Confident | 66 Ų | 66 | 101.1 Ų | 101.1 | 40% | 0.4 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.8 | -41.3 | 175.7 | 174.8 | 0 | 0 | 0 | 0 | 109.8 | D212 H218 F219 | D212-V215 HydrophobicContact CB-CB 4.05Å; D212-V215 HydrophobicContact CB-CG2 3.86Å; D212-V215 WeakPolarHBondContact O-CB 3.48Å; D212-V215 PolarHBondContact O-N 3Å; V215-H218 WeakPolarHBondContact O-CB 3.35Å; V215-H218 PolarHBondContact O-N 3.14Å; V215-F219 HydrophobicContact CG1-CD2 3.71Å; V215-F219 HydrophobicContact CG1-CE2 3.4Å; V215-F219 VanDerWaalsContact CG1-CE2 3.4Å; V215-F219 WeakPolarHBondContact O-CD2 3.31Å; V215-F219 PolarHBondContact O-N 3.26Å |
| 216 | E | 91.8 | Very high | 81 | Confident | 39 Ų | 39 | 101.3 Ų | 101.3 | 18% | 0.182 | 57% | 0.573 | C | S | . | * | H | α-helix | trans | -62.7 | -43.8 | 177.3 | -166.5 | 76.6 | 138.8 | 0 | 0 | 111.9 | D212 V214 H218 F219 R220 Y227 P230 | D212-E216 PolarHBondContact O-N 3.34Å; V214-E216 VanDerWaalsContact C-N 3.32Å; E216-H218 VanDerWaalsContact C-N 3.33Å; E216-H218 PolarHBondContact O-N 3.28Å; E216-F219 PolarHBondContact O-N 3.17Å; E216-R220 WeakPolarHBondContact O-CG 3.42Å; E216-R220 PolarHBondContact O-N 2.91Å; E216-Y227 PolarHBondContact OE1-OH 3.24Å; E216-Y227 PolarHBondContact OE2-OH 3.36Å; E216-P230 WeakPolarHBondContact OE1-CG 3.22Å |
| 217 | E | 92.3 | Very high | 83.2 | Confident | 73 Ų | 73 | 98.7 Ų | 98.7 | 34% | 0.341 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -59.6 | -43.5 | 172.9 | -164.9 | -155.6 | 157.5 | 0 | 0 | 111.9 | P213 V214 F219 R220 R221 | P213-E217 WeakPolarHBondContact O-CB 3.25Å; P213-E217 PolarHBondContact O-N 2.83Å; V214-E217 PolarHBondContact O-N 3.2Å; E217-F219 VanDerWaalsContact C-N 3.31Å; E217-F219 PolarHBondContact O-N 3.13Å; E217-R220 PolarHBondContact O-N 3.09Å; E217-R221 HydrophobicContact CG-CG 4.48Å; E217-R221 WeakPolarHBondContact O-CG 3.39Å; E217-R221 PolarHBondContact O-N 2.98Å; E217-R221 WeakPolarHBondContact OE1-CD 3.32Å; E217-R221 IonicContact OE1-CZ 3.71Å; E217-R221 IonicContact OE1-NE 3.94Å; E217-R221 IonicContact OE1-NH1 2.77Å; E217-R221 PolarHBondContact OE1-NH1 3.5Å |
| 218 | H | 95.7 | Very high | 84.8 | Confident | 118 Ų | 118 | 102.5 Ų | 102.5 | 55% | 0.546 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.1 | -43.7 | 176.1 | 174.1 | -82.5 | 0 | 0 | 0 | 111.4 | V214 V215 E216 S222 | V214-H218 PolarHBondContact O-N 3.38Å; V215-H218 WeakPolarHBondContact O-CB 3.35Å; V215-H218 PolarHBondContact O-N 3.14Å; E216-H218 VanDerWaalsContact C-N 3.33Å; E216-H218 PolarHBondContact O-N 3.28Å; H218-S222 PolarHBondContact CE1-OG 3.2Å; H218-S222 WeakPolarHBondContact O-CB 3.47Å; H218-S222 PolarHBondContact O-N 3.39Å; H218-S222 PolarHBondContact O-OG 3.5Å |
| 219 | F | 93.9 | Very high | 86 | Confident | 91 Ų | 91 | 103.3 Ų | 103.3 | 40% | 0.399 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.8 | -43 | 176.1 | -78.5 | -70.8 | 0 | 0 | 0 | 112.5 | V215 E216 E217 R221 S222 L223 Y227 | V215-F219 HydrophobicContact CG1-CD2 3.71Å; V215-F219 HydrophobicContact CG1-CE2 3.4Å; V215-F219 VanDerWaalsContact CG1-CE2 3.4Å; V215-F219 WeakPolarHBondContact O-CD2 3.31Å; V215-F219 PolarHBondContact O-N 3.26Å; E216-F219 PolarHBondContact O-N 3.17Å; E217-F219 VanDerWaalsContact C-N 3.31Å; E217-F219 PolarHBondContact O-N 3.13Å; F219-R221 PolarHBondContact O-N 2.98Å; F219-S222 PolarHBondContact O-N 2.94Å; F219-L223 HydrophobicContact CD1-CD1 4.11Å; F219-L223 WeakPolarHBondContact O-CB 3.35Å; F219-L223 PolarHBondContact O-N 2.75Å; F219-Y227 HydrophobicContact CB-CD2 4.07Å; F219-Y227 HydrophobicContact CB-CE2 3.74Å |
| 220 | R | 92.5 | Very high | 87 | Confident | 113 Ų | 113 | 101.1 Ų | 101.1 | 43% | 0.426 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.6 | -44 | 175.8 | -71.6 | -173.1 | -44.7 | 121.8 | 5 | 112.3 | E216 E217 G224 Y227 E229 | E216-R220 WeakPolarHBondContact O-CG 3.42Å; E216-R220 PolarHBondContact O-N 2.91Å; E217-R220 PolarHBondContact O-N 3.09Å; R220-G224 WeakPolarHBondContact O-CA 3.39Å; R220-G224 PolarHBondContact O-N 3.36Å; R220-Y227 HydrophobicContact CG-CD1 3.6Å; R220-Y227 HydrophobicContact CG-CE1 3.44Å; R220-Y227 VanDerWaalsContact CG-CE1 3.44Å; R220-Y227 HydrophobicContact CG-CG 4.21Å; R220-E229 WeakPolarHBondContact CD-OE2 3.34Å |
| 221 | R | 93.3 | Very high | 87.3 | Confident | 193 Ų | 193 | 101 Ų | 101 | 73% | 0.728 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.9 | -37 | 178 | -68.1 | 173.9 | 86.6 | 157.2 | 1.1 | 112.4 | E217 F219 | E217-R221 HydrophobicContact CG-CG 4.48Å; E217-R221 WeakPolarHBondContact O-CG 3.39Å; E217-R221 PolarHBondContact O-N 2.98Å; E217-R221 WeakPolarHBondContact OE1-CD 3.32Å; E217-R221 IonicContact OE1-CZ 3.71Å; E217-R221 IonicContact OE1-NE 3.94Å; E217-R221 IonicContact OE1-NH1 2.77Å; E217-R221 PolarHBondContact OE1-NH1 3.5Å; F219-R221 PolarHBondContact O-N 2.98Å |
| 222 | S | 95.3 | Very high | 87.1 | Confident | 74 Ų | 74 | 102.6 Ų | 102.6 | 52% | 0.517 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -76.1 | -40 | -177.1 | -61.7 | 0 | 0 | 0 | 0 | 113 | H218 F219 | H218-S222 PolarHBondContact CE1-OG 3.2Å; H218-S222 WeakPolarHBondContact O-CB 3.47Å; H218-S222 PolarHBondContact O-N 3.39Å; H218-S222 PolarHBondContact O-OG 3.5Å; F219-S222 PolarHBondContact O-N 2.94Å |
| 223 | L | 92.1 | Very high | 86 | Confident | 80 Ų | 80 | 101.2 Ų | 101.2 | 42% | 0.419 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -98 | -19.3 | -173.7 | -63.5 | 175.5 | 0 | 0 | 0 | 112.7 | F219 K225 N226 Y227 | F219-L223 HydrophobicContact CD1-CD1 4.11Å; F219-L223 WeakPolarHBondContact O-CB 3.35Å; F219-L223 PolarHBondContact O-N 2.75Å; L223-K225 PolarHBondContact O-N 3.31Å; L223-N226 WeakPolarHBondContact O-CB 3.12Å; L223-N226 PolarHBondContact O-N 3.32Å; L223-Y227 HydrophobicContact CB-CD2 4.48Å; L223-Y227 HydrophobicContact CD1-CD2 4.11Å |
| 224 | G | 89.1 | Confident | 84.5 | Confident | 45 Ų | 45 | 100.9 Ų | 100.9 | 46% | 0.464 | 52% | 0.52 | S | S | . | . | G | 310 helix | trans | 50.9 | -123.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R220 N226 Y227 | R220-G224 WeakPolarHBondContact O-CA 3.39Å; R220-G224 PolarHBondContact O-N 3.36Å; G224-N226 PolarHBondContact O-N 3.25Å; G224-N226 VanDerWaalsContact O-N 3.16Å; G224-Y227 WeakPolarHBondContact O-CB 3.33Å; G224-Y227 PolarHBondContact O-N 2.65Å |
| 225 | K | 88.6 | Confident | 82.9 | Confident | 203 Ų | 203 | 102.9 Ų | 102.9 | 88% | 0.883 | 53% | 0.527 | S | S | * | . | G | 310 helix | trans | -65.1 | -14.3 | 178.7 | 65.7 | 177.5 | 178.7 | -178.1 | 0 | 115.4 | L223 Y227 | L223-K225 PolarHBondContact O-N 3.31Å; K225-Y227 VanDerWaalsContact C-N 3.32Å |
| 226 | N | 91.9 | Very high | 81.3 | Confident | 131 Ų | 131 | 104 Ų | 104 | 70% | 0.701 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -89.2 | -4.8 | 176.8 | -55.9 | -41.6 | 0 | 0 | 0 | 112 | L223 G224 | L223-N226 WeakPolarHBondContact O-CB 3.12Å; L223-N226 PolarHBondContact O-N 3.32Å; G224-N226 PolarHBondContact O-N 3.25Å; G224-N226 VanDerWaalsContact O-N 3.16Å |
| 227 | Y | 90.1 | Very high | 79.9 | Confident | 40 Ų | 40 | 108.2 Ų | 108.2 | 16% | 0.157 | 57% | 0.565 | C | S | . | * | | | trans | -73.6 | 129.9 | 175.1 | -174.9 | -108.7 | 0 | 0 | 0 | 110.5 | E216 F219 R220 L223 G224 K225 E229 P230 | E216-Y227 PolarHBondContact OE1-OH 3.24Å; E216-Y227 PolarHBondContact OE2-OH 3.36Å; F219-Y227 HydrophobicContact CB-CD2 4.07Å; F219-Y227 HydrophobicContact CB-CE2 3.74Å; R220-Y227 HydrophobicContact CG-CD1 3.6Å; R220-Y227 HydrophobicContact CG-CE1 3.44Å; R220-Y227 VanDerWaalsContact CG-CE1 3.44Å; R220-Y227 HydrophobicContact CG-CG 4.21Å; L223-Y227 HydrophobicContact CB-CD2 4.48Å; L223-Y227 HydrophobicContact CD1-CD2 4.11Å; G224-Y227 WeakPolarHBondContact O-CB 3.33Å; G224-Y227 PolarHBondContact O-N 2.65Å; K225-Y227 VanDerWaalsContact C-N 3.32Å; Y227-E229 HydrophobicContact CD1-CB 4.36Å; Y227-E229 WeakPolarHBondContact CD1-OE2 3.4Å; Y227-E229 HydrophobicContact CE1-CB 4.22Å; Y227-E229 WeakPolarHBondContact CE1-OE2 3.23Å; Y227-E229 PolarHBondContact O-N 3.05Å; Y227-P230 WeakPolarHBondContact OH-CD 3.21Å |
| 228 | K | 86.8 | Confident | 78.2 | Confident | 182 Ų | 182 | 109 Ų | 109 | 79% | 0.791 | 58% | 0.579 | S | S | * | * | | | trans | -88.8 | 93.4 | 171.8 | 179.8 | 74.3 | -179 | 179.8 | 0 | 107.2 | P230 | K228-P230 WeakPolarHBondContact O-CD 3.38Š|
| 229 | E | 79.6 | Confident | 76.9 | Confident | 107 Ų | 107 | 110.4 Ų | 110.4 | 50% | 0.5 | 59% | 0.589 | S | S | . | * | P | Polyproline II helix | trans | -55.2 | 126.1 | 172.1 | -161.6 | 75.9 | -156 | 0 | 0 | 108.4 | R220 Y227 E231 | R220-E229 WeakPolarHBondContact CD-OE2 3.34Å; Y227-E229 HydrophobicContact CD1-CB 4.36Å; Y227-E229 WeakPolarHBondContact CD1-OE2 3.4Å; Y227-E229 HydrophobicContact CE1-CB 4.22Å; Y227-E229 WeakPolarHBondContact CE1-OE2 3.23Å; Y227-E229 PolarHBondContact O-N 3.05Å; E229-E231 PolarHBondContact O-N 3.09Å; E229-E231 VanDerWaalsContact O-N 3.16Å |
| 230 | P | 73.1 | Confident | 75.7 | Confident | 67 Ų | 67 | 112.6 Ų | 112.6 | 44% | 0.435 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -54.7 | 123 | 167.3 | -19.7 | 30.7 | 0 | 0 | 0 | 107.2 | E216 Y227 K228 P232 | E216-P230 WeakPolarHBondContact OE1-CG 3.22Å; Y227-P230 WeakPolarHBondContact OH-CD 3.21Å; K228-P230 WeakPolarHBondContact O-CD 3.38Å; P230-P232 WeakPolarHBondContact O-CD 3.41Å; P230-P232 VanDerWaalsContact O-N 3.15Å |
| 231 | E | 67.9 | Low | 74.8 | Confident | 144 Ų | 144 | 109.3 Ų | 109.3 | 67% | 0.673 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 123.2 | 174.8 | -172.7 | -108.9 | 171.6 | 0 | 0 | 107 | E229 A233 | E229-E231 PolarHBondContact O-N 3.09Å; E229-E231 VanDerWaalsContact O-N 3.16Å; E231-A233 PolarHBondContact O-N 2.83Å |
| 232 | P | 61.8 | Low | 74.3 | Confident | 102 Ų | 102 | 103.1 Ų | 103.1 | 66% | 0.662 | 60% | 0.598 | S | S | * | * | | | trans | -59.7 | 114.6 | 173.4 | 24.1 | -31.1 | 0 | 0 | 0 | 105.7 | P230 | P230-P232 WeakPolarHBondContact O-CD 3.41Å; P230-P232 VanDerWaalsContact O-N 3.15Å |
| 233 | A | 62.1 | Low | 74 | Confident | 56 Ų | 56 | 104.6 Ų | 104.6 | 46% | 0.463 | 60% | 0.603 | S | S | . | * | | | trans | -45.4 | 137.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | E231 N235 | E231-A233 PolarHBondContact O-N 2.83Å; A233-N235 PolarHBondContact O-N 2.95Å; A233-N235 PolarHBondContact O-ND2 3.23Å; A233-N235 PolarHBondContact O-OD1 3.04Å |
| 234 | P | 55.3 | Low | 73.9 | Confident | 96 Ų | 96 | 103.4 Ų | 103.4 | 62% | 0.623 | 60% | 0.598 | S | S | * | * | | | trans | -64.5 | 87.5 | 179.7 | 25.5 | -33.7 | 0 | 0 | 0 | 108.8 | S236 | P234-S236 PolarHBondContact O-N 2.91Š|
| 235 | N | 57.5 | Low | 74.1 | Confident | 141 Ų | 141 | 105.8 Ų | 105.8 | 75% | 0.754 | 60% | 0.6 | S | S | * | * | | | trans | -78.8 | 24.9 | 175.9 | -58.1 | -39.4 | 0 | 0 | 0 | 110.3 | A233 V237 | A233-N235 PolarHBondContact O-N 2.95Å; A233-N235 PolarHBondContact O-ND2 3.23Å; A233-N235 PolarHBondContact O-OD1 3.04Å; N235-V237 PolarHBondContact O-N 3.17Å |
| 236 | S | 57.3 | Low | 74.3 | Confident | 89 Ų | 89 | 102.3 Ų | 102.3 | 62% | 0.622 | 59% | 0.586 | S | S | * | * | | | trans | -85.3 | 89.6 | 170 | 57.9 | 0 | 0 | 0 | 0 | 107.6 | P234 S238 | P234-S236 PolarHBondContact O-N 2.91Å; S236-S238 PolarHBondContact O-N 3.18Å; S236-S238 VanDerWaalsContact O-N 3.09Å |
| 237 | V | 60.9 | Low | 74.4 | Confident | 127 Ų | 127 | 100 Ų | 100 | 77% | 0.77 | 57% | 0.57 | S | S | * | * | | | trans | -69 | 101.8 | 162.7 | 179.9 | 0 | 0 | 0 | 0 | 106.9 | N235 I239 | N235-V237 PolarHBondContact O-N 3.17Å; V237-I239 HydrophobicContact CG1-CG1 4.42Å; V237-I239 PolarHBondContact O-N 3.02Å; V237-I239 VanDerWaalsContact O-N 3.13Å |
| 238 | S | 58 | Low | 74.5 | Confident | 90 Ų | 90 | 99.7 Ų | 99.7 | 63% | 0.629 | 58% | 0.576 | S | S | * | * | | | trans | -70.7 | 104.2 | 168.8 | -60.3 | 0 | 0 | 0 | 0 | 108.3 | S236 T240 | S236-S238 PolarHBondContact O-N 3.18Å; S236-S238 VanDerWaalsContact O-N 3.09Å; S238-T240 PolarHBondContact O-N 2.87Å |
| 239 | I | 68.2 | Low | 74.7 | Confident | 148 Ų | 148 | 100 Ų | 100 | 76% | 0.759 | 58% | 0.578 | S | S | * | * | | | trans | -72.6 | 83.8 | 170.8 | -56.4 | 179.9 | 0 | 0 | 0 | 107.2 | V237 G241 | V237-I239 HydrophobicContact CG1-CG1 4.42Å; V237-I239 PolarHBondContact O-N 3.02Å; V237-I239 VanDerWaalsContact O-N 3.13Å; I239-G241 WeakPolarHBondContact CG2-O 3.21Å; I239-G241 PolarHBondContact O-N 3.03Å; I239-G241 VanDerWaalsContact O-N 3.09Å |
| 240 | T | 67.6 | Low | 75.4 | Confident | 136 Ų | 136 | 98.2 Ų | 98.2 | 83% | 0.834 | 58% | 0.581 | S | S | * | * | | | trans | -84.9 | 48 | -179.1 | 59.7 | 0 | 0 | 0 | 0 | 112.1 | S238 | S238-T240 PolarHBondContact O-N 2.87Š|
| 241 | G | 74.3 | Confident | 76.3 | Confident | 44 Ų | 44 | 99 Ų | 99 | 45% | 0.454 | 58% | 0.581 | S | S | . | * | S | Bend | trans | -175.1 | 135.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | I239 | I239-G241 WeakPolarHBondContact CG2-O 3.21Å; I239-G241 PolarHBondContact O-N 3.03Å; I239-G241 VanDerWaalsContact O-N 3.09Å |
| 242 | S | 82.3 | Confident | 77.5 | Confident | 64 Ų | 64 | 93.7 Ų | 93.7 | 45% | 0.448 | 57% | 0.565 | S | S | . | * | | | trans | -73.5 | 138.5 | 170.1 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | D244 D245 H246 | S242-D244 PolarHBondContact O-N 3.08Å; S242-D244 WeakPolarHBondContact OG-CB 3.39Å; S242-D244 PolarHBondContact OG-N 2.95Å; S242-D245 WeakPolarHBondContact CB-OD2 3.48Å; S242-D245 PolarHBondContact O-N 2.86Å; S242-H246 PolarHBondContact O-N 2.95Å |
| 243 | V | 89.5 | Confident | 78.9 | Confident | 104 Ų | 104 | 95.4 Ų | 95.4 | 63% | 0.63 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -56.5 | -35.1 | 170.2 | 174 | 0 | 0 | 0 | 0 | 110.3 | D245 H246 F247 | V243-D245 PolarHBondContact O-N 3.45Å; V243-H246 WeakPolarHBondContact O-CB 3.49Å; V243-H246 PolarHBondContact O-N 3.13Å; V243-F247 HydrophobicContact CG1-CD2 3.76Å; V243-F247 HydrophobicContact CG1-CE2 3.49Å; V243-F247 VanDerWaalsContact CG1-CE2 3.49Å; V243-F247 WeakPolarHBondContact O-CD2 3.46Å; V243-F247 PolarHBondContact O-N 2.86Å |
| 244 | D | 90.4 | Very high | 80.3 | Confident | 56 Ų | 56 | 96.3 Ų | 96.3 | 30% | 0.299 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.4 | -41 | 178.6 | -157.4 | 95.9 | 0 | 0 | 0 | 112 | S242 H246 F247 A248 W255 K259 | S242-D244 PolarHBondContact O-N 3.08Å; S242-D244 WeakPolarHBondContact OG-CB 3.39Å; S242-D244 PolarHBondContact OG-N 2.95Å; D244-H246 VanDerWaalsContact C-N 3.28Å; D244-H246 PolarHBondContact O-N 3.11Å; D244-F247 PolarHBondContact O-N 2.93Å; D244-A248 WeakPolarHBondContact O-CB 3.43Å; D244-A248 PolarHBondContact O-N 3.09Å; D244-W255 PolarHBondContact O-NE1 3.36Å; D244-W255 VanDerWaalsContact OD1-CZ2 3.23Å; D244-W255 WeakPolarHBondContact OD1-CZ2 3.41Å; D244-W255 PolarHBondContact OD1-NE1 3.49Å; D244-W255 PolarHBondContact OD2-NE1 3.16Å; D244-K259 WeakPolarHBondContact OD1-CE 3.42Å |
| 245 | D | 92.5 | Very high | 82.2 | Confident | 94 Ų | 94 | 93.5 Ų | 93.5 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -63.1 | -35.8 | 176.5 | -67.1 | -29.8 | 0 | 0 | 0 | 111.8 | S242 V243 K249 | S242-D245 WeakPolarHBondContact CB-OD2 3.48Å; S242-D245 PolarHBondContact O-N 2.86Å; V243-D245 PolarHBondContact O-N 3.45Å; D245-K249 WeakPolarHBondContact O-CB 3.43Å; D245-K249 WeakPolarHBondContact O-CG 3.5Å; D245-K249 PolarHBondContact O-N 2.71Å |
| 246 | H | 93.4 | Very high | 83.8 | Confident | 130 Ų | 130 | 91.8 Ų | 91.8 | 60% | 0.602 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.8 | -46.2 | 175.7 | 179.2 | 74.4 | 0 | 0 | 0 | 111.1 | S242 V243 D244 K249 A250 | S242-H246 PolarHBondContact O-N 2.95Å; V243-H246 WeakPolarHBondContact O-CB 3.49Å; V243-H246 PolarHBondContact O-N 3.13Å; D244-H246 VanDerWaalsContact C-N 3.28Å; D244-H246 PolarHBondContact O-N 3.11Å; H246-K249 PolarHBondContact O-N 3.42Å; H246-A250 WeakPolarHBondContact O-CB 3.5Å; H246-A250 PolarHBondContact O-N 2.97Å |
| 247 | F | 93.5 | Very high | 85.4 | Confident | 82 Ų | 82 | 94.6 Ų | 94.6 | 36% | 0.36 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.5 | -40.5 | 177.2 | -77.3 | -75.9 | 0 | 0 | 0 | 112.6 | V243 D244 K249 A250 L251 W255 | V243-F247 HydrophobicContact CG1-CD2 3.76Å; V243-F247 HydrophobicContact CG1-CE2 3.49Å; V243-F247 VanDerWaalsContact CG1-CE2 3.49Å; V243-F247 WeakPolarHBondContact O-CD2 3.46Å; V243-F247 PolarHBondContact O-N 2.86Å; D244-F247 PolarHBondContact O-N 2.93Å; F247-K249 VanDerWaalsContact C-N 3.3Å; F247-K249 PolarHBondContact O-N 2.92Å; F247-A250 PolarHBondContact O-N 2.77Å; F247-L251 HydrophobicContact CD1-CD1 4.12Å; F247-L251 WeakPolarHBondContact O-CB 3.34Å; F247-L251 PolarHBondContact O-N 3.44Å; F247-W255 HydrophobicContact CB-CD2 3.36Å; F247-W255 VanDerWaalsContact CB-CE2 3.43Å; F247-W255 HydrophobicContact CB-CE3 3.62Å; F247-W255 HydrophobicContact CB-CG 3.82Å; F247-W255 HydrophobicContact CB-CH2 3.97Å; F247-W255 HydrophobicContact CB-CZ2 3.74Å; F247-W255 HydrophobicContact CB-CZ3 3.92Å; F247-W255 HydrophobicContact CD1-CE3 4.18Å; F247-W255 HydrophobicContact CD1-CH2 4.46Å; F247-W255 HydrophobicContact CD1-CZ3 4.02Å; F247-W255 AromaticContact CD2-CH2 3.89Å; F247-W255 HydrophobicContact CD2-CH2 3.89Å; F247-W255 HydrophobicContact CD2-CZ2 4.1Å; F247-W255 HydrophobicContact CD2-CZ3 4.27Å; F247-W255 HydrophobicContact CG-CD2 4.21Å; F247-W255 AromaticContact CG-CE3 3.99Å; F247-W255 HydrophobicContact CG-CE3 3.99Å; F247-W255 AromaticContact CG-CH2 3.86Å; F247-W255 HydrophobicContact CG-CH2 3.86Å; F247-W255 HydrophobicContact CG-CZ2 4.08Å; F247-W255 AromaticContact CG-CZ3 3.82Å; F247-W255 HydrophobicContact CG-CZ3 3.82Å |
| 248 | A | 92.3 | Very high | 86.8 | Confident | 35 Ų | 35 | 92.6 Ų | 92.6 | 29% | 0.289 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.6 | -40.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | D244 G252 | D244-A248 WeakPolarHBondContact O-CB 3.43Å; D244-A248 PolarHBondContact O-N 3.09Å; A248-G252 WeakPolarHBondContact O-CA 3.38Å; A248-G252 PolarHBondContact O-N 3.4Å |
| 249 | K | 91.8 | Very high | 88.3 | Confident | 189 Ų | 189 | 90.7 Ų | 90.7 | 82% | 0.822 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.6 | -34 | 176.4 | -71 | 172.8 | 76.6 | 173.1 | 0 | 113.3 | D245 H246 F247 | D245-K249 WeakPolarHBondContact O-CB 3.43Å; D245-K249 WeakPolarHBondContact O-CG 3.5Å; D245-K249 PolarHBondContact O-N 2.71Å; H246-K249 PolarHBondContact O-N 3.42Å; F247-K249 VanDerWaalsContact C-N 3.3Å; F247-K249 PolarHBondContact O-N 2.92Å |
| 250 | A | 93.8 | Very high | 89.3 | Confident | 69 Ų | 69 | 86.6 Ų | 86.6 | 57% | 0.57 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -81.3 | -39.3 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | H246 F247 | H246-A250 WeakPolarHBondContact O-CB 3.5Å; H246-A250 PolarHBondContact O-N 2.97Å; F247-A250 PolarHBondContact O-N 2.77Å |
| 251 | L | 92.3 | Very high | 90.1 | Very high | 82 Ų | 82 | 84 Ų | 84 | 43% | 0.429 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -113.2 | -10.4 | -172 | -60.3 | 176.2 | 0 | 0 | 0 | 113.2 | F247 D253 T254 W255 | F247-L251 HydrophobicContact CD1-CD1 4.12Å; F247-L251 WeakPolarHBondContact O-CB 3.34Å; F247-L251 PolarHBondContact O-N 3.44Å; L251-D253 PolarHBondContact O-N 3.25Å; L251-T254 VanDerWaalsContact O-CB 3.25Å; L251-T254 WeakPolarHBondContact O-CB 3.38Å; L251-T254 PolarHBondContact O-N 2.91Å; L251-T254 PolarHBondContact O-OG1 3.44Å; L251-W255 HydrophobicContact CB-CB 4.06Å |
| 252 | G | 91.8 | Very high | 90.6 | Very high | 34 Ų | 34 | 89.7 Ų | 89.7 | 35% | 0.351 | 50% | 0.496 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | -133.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A248 T254 W255 | A248-G252 WeakPolarHBondContact O-CA 3.38Å; A248-G252 PolarHBondContact O-N 3.4Å; G252-T254 PolarHBondContact O-N 3.22Å; G252-T254 VanDerWaalsContact O-N 3.13Å; G252-W255 WeakPolarHBondContact O-CB 3.11Å; G252-W255 PolarHBondContact O-N 3.2Å |
| 253 | D | 91.3 | Very high | 90.3 | Very high | 137 Ų | 137 | 92 Ų | 92 | 73% | 0.733 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -59.2 | -25.4 | 179.8 | -60.9 | -35.1 | 0 | 0 | 0 | 113.3 | L251 W255 L256 Q257 | L251-D253 PolarHBondContact O-N 3.25Å; D253-W255 VanDerWaalsContact C-N 3.28Å; D253-W255 PolarHBondContact O-N 2.92Å; D253-L256 PolarHBondContact O-N 3.07Å; D253-Q257 PolarHBondContact O-N 3.45Å |
| 254 | T | 92.3 | Very high | 88.9 | Confident | 76 Ų | 76 | 90 Ų | 90 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.4 | -36.5 | 175.2 | -47.7 | 0 | 0 | 0 | 0 | 111 | L251 G252 Q257 I258 | L251-T254 VanDerWaalsContact O-CB 3.25Å; L251-T254 WeakPolarHBondContact O-CB 3.38Å; L251-T254 PolarHBondContact O-N 2.91Å; L251-T254 PolarHBondContact O-OG1 3.44Å; G252-T254 PolarHBondContact O-N 3.22Å; G252-T254 VanDerWaalsContact O-N 3.13Å; T254-Q257 PolarHBondContact O-N 2.99Å; T254-I258 HydrophobicContact CG2-CD1 4.06Å; T254-I258 WeakPolarHBondContact O-CD1 3.4Å; T254-I258 VanDerWaalsContact O-CG1 3.22Å; T254-I258 WeakPolarHBondContact O-CG1 3.2Å; T254-I258 PolarHBondContact O-N 2.73Å |
| 255 | W | 94.8 | Very high | 86.9 | Confident | 37 Ų | 37 | 90.8 Ų | 90.8 | 14% | 0.14 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -66.2 | -44 | 175.2 | 176.7 | -117.9 | 0 | 0 | 0 | 111.8 | D244 F247 L251 G252 D253 Q257 I258 K259 | D244-W255 PolarHBondContact O-NE1 3.36Å; D244-W255 VanDerWaalsContact OD1-CZ2 3.23Å; D244-W255 WeakPolarHBondContact OD1-CZ2 3.41Å; D244-W255 PolarHBondContact OD1-NE1 3.49Å; D244-W255 PolarHBondContact OD2-NE1 3.16Å; F247-W255 HydrophobicContact CB-CD2 3.36Å; F247-W255 VanDerWaalsContact CB-CE2 3.43Å; F247-W255 HydrophobicContact CB-CE3 3.62Å; F247-W255 HydrophobicContact CB-CG 3.82Å; F247-W255 HydrophobicContact CB-CH2 3.97Å; F247-W255 HydrophobicContact CB-CZ2 3.74Å; F247-W255 HydrophobicContact CB-CZ3 3.92Å; F247-W255 HydrophobicContact CD1-CE3 4.18Å; F247-W255 HydrophobicContact CD1-CH2 4.46Å; F247-W255 HydrophobicContact CD1-CZ3 4.02Å; F247-W255 AromaticContact CD2-CH2 3.89Å; F247-W255 HydrophobicContact CD2-CH2 3.89Å; F247-W255 HydrophobicContact CD2-CZ2 4.1Å; F247-W255 HydrophobicContact CD2-CZ3 4.27Å; F247-W255 HydrophobicContact CG-CD2 4.21Å; F247-W255 AromaticContact CG-CE3 3.99Å; F247-W255 HydrophobicContact CG-CE3 3.99Å; F247-W255 AromaticContact CG-CH2 3.86Å; F247-W255 HydrophobicContact CG-CH2 3.86Å; F247-W255 HydrophobicContact CG-CZ2 4.08Å; F247-W255 AromaticContact CG-CZ3 3.82Å; F247-W255 HydrophobicContact CG-CZ3 3.82Å; L251-W255 HydrophobicContact CB-CB 4.06Å; G252-W255 WeakPolarHBondContact O-CB 3.11Å; G252-W255 PolarHBondContact O-N 3.2Å; D253-W255 VanDerWaalsContact C-N 3.28Å; D253-W255 PolarHBondContact O-N 2.92Å; W255-Q257 VanDerWaalsContact C-N 3.3Å; W255-Q257 PolarHBondContact O-N 3.08Å; W255-I258 PolarHBondContact O-N 2.94Å; W255-K259 HydrophobicContact CD2-CG 3.97Å; W255-K259 HydrophobicContact CE3-CG 4.49Å; W255-K259 HydrophobicContact CG-CG 4.44Å; W255-K259 HydrophobicContact CH2-CD 4.2Å; W255-K259 HydrophobicContact CH2-CG 4.38Å; W255-K259 HydrophobicContact CZ2-CD 3.73Å; W255-K259 HydrophobicContact CZ2-CG 3.83Å; W255-K259 WeakPolarHBondContact O-CB 3.45Å; W255-K259 WeakPolarHBondContact O-CG 3.37Å; W255-K259 PolarHBondContact O-N 3.45Å |
| 256 | L | 91.1 | Very high | 85 | Confident | 105 Ų | 105 | 92.3 Ų | 92.3 | 55% | 0.55 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 177 | -67.8 | 173.5 | 0 | 0 | 0 | 111.6 | D253 K259 A260 | D253-L256 PolarHBondContact O-N 3.07Å; L256-K259 PolarHBondContact O-N 2.99Å; L256-A260 WeakPolarHBondContact O-CB 3.38Å; L256-A260 PolarHBondContact O-N 2.89Å |
| 257 | Q | 91 | Very high | 83 | Confident | 148 Ų | 148 | 91 Ų | 91 | 69% | 0.692 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.3 | -41.5 | 177.1 | -163.6 | 172.2 | 41.1 | 0 | 0 | 112.1 | D253 T254 W255 A261 | D253-Q257 PolarHBondContact O-N 3.45Å; T254-Q257 PolarHBondContact O-N 2.99Å; W255-Q257 VanDerWaalsContact C-N 3.3Å; W255-Q257 PolarHBondContact O-N 3.08Å; Q257-A261 WeakPolarHBondContact O-CB 3.21Å; Q257-A261 PolarHBondContact O-N 3.16Å |
| 258 | I | 91.7 | Very high | 80.5 | Confident | 84 Ų | 84 | 91.4 Ų | 91.4 | 43% | 0.431 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.7 | -40.9 | 174.8 | -68.1 | 164.9 | 0 | 0 | 0 | 110.8 | T254 W255 A261 K262 | T254-I258 HydrophobicContact CG2-CD1 4.06Å; T254-I258 WeakPolarHBondContact O-CD1 3.4Å; T254-I258 VanDerWaalsContact O-CG1 3.22Å; T254-I258 WeakPolarHBondContact O-CG1 3.2Å; T254-I258 PolarHBondContact O-N 2.73Å; W255-I258 PolarHBondContact O-N 2.94Å; I258-A261 PolarHBondContact O-N 3.31Å; I258-K262 WeakPolarHBondContact O-CB 3.38Å; I258-K262 PolarHBondContact O-N 3.43Å |
| 259 | K | 88.7 | Confident | 78.4 | Confident | 51 Ų | 51 | 95.1 Ų | 95.1 | 22% | 0.222 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -64 | -46 | 176.5 | -79.3 | -73.9 | -71 | 132.2 | 0 | 111.9 | D244 W255 L256 A261 K262 D263 | D244-K259 WeakPolarHBondContact OD1-CE 3.42Å; W255-K259 HydrophobicContact CD2-CG 3.97Å; W255-K259 HydrophobicContact CE3-CG 4.49Å; W255-K259 HydrophobicContact CG-CG 4.44Å; W255-K259 HydrophobicContact CH2-CD 4.2Å; W255-K259 HydrophobicContact CH2-CG 4.38Å; W255-K259 HydrophobicContact CZ2-CD 3.73Å; W255-K259 HydrophobicContact CZ2-CG 3.83Å; W255-K259 WeakPolarHBondContact O-CB 3.45Å; W255-K259 WeakPolarHBondContact O-CG 3.37Å; W255-K259 PolarHBondContact O-N 3.45Å; L256-K259 PolarHBondContact O-N 2.99Å; K259-A261 VanDerWaalsContact C-N 3.31Å; K259-A261 PolarHBondContact O-N 3Å; K259-K262 PolarHBondContact O-N 3.3Å; K259-K262 VanDerWaalsContact O-N 3.15Å; K259-D263 IonicContact NZ-OD1 3.64Å; K259-D263 IonicContact NZ-OD2 2.72Å; K259-D263 PolarHBondContact NZ-OD2 3.29Å; K259-D263 PolarHBondContact O-N 3.38Å |
| 260 | A | 88.2 | Confident | 75.9 | Confident | 61 Ų | 61 | 94.8 Ų | 94.8 | 50% | 0.504 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -62.1 | -37.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L256 G264 | L256-A260 WeakPolarHBondContact O-CB 3.38Å; L256-A260 PolarHBondContact O-N 2.89Å; A260-G264 PolarHBondContact O-N 3.07Å |
| 261 | A | 86.2 | Confident | 73.4 | Confident | 81 Ų | 81 | 95.9 Ų | 95.9 | 67% | 0.669 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -69.7 | -33.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q257 I258 K259 | Q257-A261 WeakPolarHBondContact O-CB 3.21Å; Q257-A261 PolarHBondContact O-N 3.16Å; I258-A261 PolarHBondContact O-N 3.31Å; K259-A261 VanDerWaalsContact C-N 3.31Å; K259-A261 PolarHBondContact O-N 3Å |
| 262 | K | 84.3 | Confident | 71.2 | Confident | 165 Ų | 165 | 96.7 Ų | 96.7 | 72% | 0.717 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -75.8 | -37.3 | 178.4 | 175.3 | 170.8 | 169.2 | 176.3 | 0 | 113.2 | I258 K259 G264 | I258-K262 WeakPolarHBondContact O-CB 3.38Å; I258-K262 PolarHBondContact O-N 3.43Å; K259-K262 PolarHBondContact O-N 3.3Å; K259-K262 VanDerWaalsContact O-N 3.15Å; K262-G264 VanDerWaalsContact C-N 3.26Å; K262-G264 PolarHBondContact O-N 3.09Å |
| 263 | D | 76.1 | Confident | 69.2 | Low | 112 Ų | 112 | 100 Ų | 100 | 60% | 0.599 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | 3.8 | -177.2 | -62.1 | -33.6 | 0 | 0 | 0 | 112.9 | K259 | K259-D263 IonicContact NZ-OD1 3.64Å; K259-D263 IonicContact NZ-OD2 2.72Å; K259-D263 PolarHBondContact NZ-OD2 3.29Å; K259-D263 PolarHBondContact O-N 3.38Å |
| 264 | G | 59.5 | Low | 66.9 | Low | 63 Ų | 63 | 104.8 Ų | 104.8 | 65% | 0.649 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 69 | 61 | 159.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | A260 K262 | A260-G264 PolarHBondContact O-N 3.07Å; K262-G264 VanDerWaalsContact C-N 3.26Å; K262-G264 PolarHBondContact O-N 3.09Å |
| 265 | A | 49.1 | Very low | 64.8 | Low | 72 Ų | 72 | 113.2 Ų | 113.2 | 60% | 0.595 | 65% | 0.649 | S | S | * | * | | | trans | -114.4 | 108.3 | 145.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | S267 | A265-S267 PolarHBondContact O-N 2.92Š|
| 266 | S | 52.3 | Low | 62.4 | Low | 126 Ų | 126 | 114.4 Ų | 114.4 | 88% | 0.881 | 67% | 0.672 | S | S | * | * | | | trans | -64.7 | 50.6 | 162.4 | 63.6 | 0 | 0 | 0 | 0 | 111.6 | S268 | S266-S268 PolarHBondContact O-N 3.22Š|
| 267 | S | 50.9 | Low | 60 | Low | 101 Ų | 101 | 119.1 Ų | 119.1 | 71% | 0.706 | 69% | 0.691 | S | S | * | * | | | trans | -81.9 | 83.2 | 163.8 | 60.6 | 0 | 0 | 0 | 0 | 107.5 | A265 | A265-S267 PolarHBondContact O-N 2.92Š|
| 268 | S | 42.3 | Very low | 57.7 | Low | 92 Ų | 92 | 117.7 Ų | 117.7 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | | | trans | -20 | 127.2 | 158.3 | -175.2 | 0 | 0 | 0 | 0 | 112.8 | S266 E270 | S266-S268 PolarHBondContact O-N 3.22Å; S268-E270 PolarHBondContact O-N 3.28Å |
| 269 | P | 47.4 | Very low | 55.2 | Low | 112 Ų | 112 | 118.5 Ų | 118.5 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | trans | -71.9 | 92 | 158.2 | 31.2 | -26.3 | 0 | 0 | 0 | 105.8 | S271 | P269-S271 PolarHBondContact O-N 3.46Å; P269-S271 PolarHBondContact O-OG 3.45Å |
| 270 | E | 39.3 | Very low | 53.1 | Low | 182 Ų | 182 | 122 Ų | 122 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | | | trans | -61.9 | 93.5 | 158.1 | -179.2 | 125.9 | 95.4 | 0 | 0 | 106.1 | S268 A272 | S268-E270 PolarHBondContact O-N 3.28Å; E270-A272 VanDerWaalsContact C-N 3.28Å; E270-A272 PolarHBondContact O-N 3.15Å |
| 271 | S | 40.4 | Very low | 51.4 | Low | 93 Ų | 93 | 124.8 Ų | 124.8 | 65% | 0.65 | 76% | 0.761 | S | S | * | * | | | trans | -61.1 | 93.7 | 171.7 | -62.3 | 0 | 0 | 0 | 0 | 106.9 | P269 S273 | P269-S271 PolarHBondContact O-N 3.46Å; P269-S271 PolarHBondContact O-OG 3.45Å; S271-S273 PolarHBondContact O-N 3.25Å; S271-S273 VanDerWaalsContact O-N 3.1Å |
| 272 | A | 46.2 | Very low | 49.4 | Very low | 98 Ų | 98 | 126.8 Ų | 126.8 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -56 | 117.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | E270 | E270-A272 VanDerWaalsContact C-N 3.28Å; E270-A272 PolarHBondContact O-N 3.15Å |
| 273 | S | 50 | Low | 47.7 | Very low | 105 Ų | 105 | 123.4 Ų | 123.4 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | 95.8 | 76.1 | 179.3 | -153.7 | 0 | 0 | 0 | 0 | 115.8 | S271 | S271-S273 PolarHBondContact O-N 3.25Å; S271-S273 VanDerWaalsContact O-N 3.1Å |
| 274 | R | 43.7 | Very low | 46.4 | Very low | 236 Ų | 236 | 125.6 Ų | 125.6 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | | | | -164.7 | 107.3 | 109.6 | -97.5 | 163.4 | -159.4 | -98.5 | 4.1 | 110.5 | G276 | R274-G276 PolarHBondContact O-N 3.3Š|
| 275 | R | 47.9 | Very low | 46 | Very low | 254 Ų | 254 | 130.3 Ų | 130.3 | 96% | 0.958 | 79% | 0.786 | S | S | * | * | | | trans | -53.1 | 118.1 | 167.5 | -171.2 | 178.9 | -155.9 | -117.2 | 3.5 | 110.1 | | |
| 276 | G | 43.7 | Very low | 46.1 | Very low | 62 Ų | 62 | 131 Ų | 131 | 64% | 0.639 | 78% | 0.782 | S | S | * | * | | | trans | 90.9 | 98.3 | 155.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | R274 | R274-G276 PolarHBondContact O-N 3.3Š|
| 277 | Q | 42.3 | Very low | 45.7 | Very low | 203 Ų | 203 | 129.8 Ų | 129.8 | 95% | 0.949 | 77% | 0.774 | S | S | * | * | | | | -179.1 | 125.6 | 112.9 | -95.8 | 168.1 | 46.6 | 0 | 0 | 110.3 | | |
| 278 | S | 42.2 | Very low | 45.7 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | | | trans | -80.5 | 130.8 | 174.3 | 47.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 279 | A | 39.6 | Very low | 45.6 | Very low | 102 Ų | 102 | 132.6 Ų | 132.6 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | | | | 171.8 | 115.1 | 128.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 280 | S | 44.3 | Very low | 45.9 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | | | trans | 4.9 | 158.9 | 156.3 | -82.9 | 0 | 0 | 0 | 0 | 125.3 | | |
| 281 | P | 52.2 | Low | 46.5 | Very low | 120 Ų | 120 | 132 Ų | 132 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | | | trans | -95.5 | 151.9 | -161.8 | 38.5 | -31.7 | 0 | 0 | 0 | 113.5 | | |
| 282 | S | 43.6 | Very low | 47.3 | Very low | 124 Ų | 124 | 133.6 Ų | 133.6 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | trans | -112.6 | 103.3 | 164.2 | -168.6 | 0 | 0 | 0 | 0 | 109.1 | | |
| 283 | A | 48.3 | Very low | 47.7 | Very low | 93 Ų | 93 | 134.8 Ų | 134.8 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | | | trans | -78.1 | 114.7 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 284 | H | 50.5 | Low | 48 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | -113.2 | 84.8 | 163.8 | -172 | -95.4 | 0 | 0 | 0 | 108.9 | V286 | H284-V286 WeakPolarHBondContact CE1-CG2 3.36Å; H284-V286 VanDerWaalsContact ND1-CG2 3.35Å; H284-V286 WeakPolarHBondContact ND1-CG2 3.21Å; H284-V286 PolarHBondContact O-N 2.87Å |
| 285 | M | 49.6 | Very low | 48.4 | Very low | 162 Ų | 162 | 130.8 Ų | 130.8 | 80% | 0.798 | 78% | 0.783 | S | S | * | * | | | trans | -74.1 | 103.5 | 165.3 | -74.4 | -62 | -47.8 | 0 | 0 | 108.4 | S287 | M285-S287 VanDerWaalsContact C-N 3.35Å; M285-S287 PolarHBondContact O-N 3.13Å |
| 286 | V | 52.4 | Low | 48.5 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 52% | 0.515 | 80% | 0.801 | S | S | . | * | | | trans | -71.8 | 96.2 | 164.3 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | H284 H288 | H284-V286 WeakPolarHBondContact CE1-CG2 3.36Å; H284-V286 VanDerWaalsContact ND1-CG2 3.35Å; H284-V286 WeakPolarHBondContact ND1-CG2 3.21Å; H284-V286 PolarHBondContact O-N 2.87Å; V286-H288 VanDerWaalsContact CG1-CE1 3.41Å; V286-H288 WeakPolarHBondContact CG1-CE1 3.37Å |
| 287 | S | 42.6 | Very low | 48.7 | Very low | 101 Ų | 101 | 131.1 Ų | 131.1 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | | | trans | -87.3 | 107.7 | 167.5 | -148.8 | 0 | 0 | 0 | 0 | 107.7 | M285 S289 | M285-S287 VanDerWaalsContact C-N 3.35Å; M285-S287 PolarHBondContact O-N 3.13Å; S287-S289 PolarHBondContact O-N 3.27Å |
| 288 | H | 50.7 | Low | 49 | Very low | 153 Ų | 153 | 127.3 Ų | 127.3 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | | | trans | -91.3 | 86.6 | 166.3 | -74.5 | -26.5 | 0 | 0 | 0 | 108.6 | V286 H290 | V286-H288 VanDerWaalsContact CG1-CE1 3.41Å; V286-H288 WeakPolarHBondContact CG1-CE1 3.37Å; H288-H290 PolarHBondContact O-N 3.36Å |
| 289 | S | 41.5 | Very low | 49.4 | Very low | 99 Ų | 99 | 127.8 Ų | 127.8 | 69% | 0.692 | 80% | 0.8 | S | S | * | * | | | trans | -79.9 | 102.6 | 164.9 | 47.6 | 0 | 0 | 0 | 0 | 109.4 | S287 | S287-S289 PolarHBondContact O-N 3.27Š|
| 290 | H | 52.6 | Low | 50 | Low | 174 Ų | 174 | 129.3 Ų | 129.3 | 81% | 0.806 | 80% | 0.798 | S | S | * | * | | | trans | -91.3 | 104.9 | 161.4 | -68 | -79.4 | 0 | 0 | 0 | 108.4 | H288 | H288-H290 PolarHBondContact O-N 3.36Š|
| 291 | S | 51.9 | Low | 50.3 | Low | 109 Ų | 109 | 129.7 Ų | 129.7 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | -79.1 | 155.5 | 169.3 | -75.3 | 0 | 0 | 0 | 0 | 111.5 | | |
| 292 | P | 57.5 | Low | 50.2 | Low | 125 Ų | 125 | 130.3 Ų | 130.3 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | | | trans | -82.9 | 142.7 | -171.3 | 34.3 | -33 | 0 | 0 | 0 | 111.4 | | |
| 293 | S | 54 | Low | 50.7 | Low | 123 Ų | 123 | 130.8 Ų | 130.8 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -106.6 | 115.2 | 165.9 | -165.3 | 0 | 0 | 0 | 0 | 109.4 | | |
| 294 | V | 58.1 | Low | 50.9 | Low | 125 Ų | 125 | 133.7 Ų | 133.7 | 76% | 0.758 | 79% | 0.791 | S | S | * | * | | | trans | -78.1 | 159.1 | 162.8 | -77.5 | 0 | 0 | 0 | 0 | 110.5 | | |
| 295 | V | 50 | Low | 50.9 | Low | 132 Ų | 132 | 131.6 Ų | 131.6 | 80% | 0.8 | 80% | 0.796 | S | S | * | * | | | trans | 85.4 | 102.4 | 159.3 | 99.4 | 0 | 0 | 0 | 0 | 119 | | |
| 296 | S | 50.1 | Low | 51 | Low | 191 Ų | 191 | 128.8 Ų | 128.8 | 100% | 1.336 | 80% | 0.796 | S | S | * | * | | | | -171.5 | 0 | 106.7 | -72.5 | 0 | 0 | 0 | 0 | 110.3 | | |