| 1 | M | 56 | Low | 60.1 | Low | 217 Ų | 217 | 146.5 Ų | 146.5 | 100% | 1.069 | 70% | 0.696 | S | S | * | * | | | | 0 | -32 | 0 | -76.9 | -179.8 | 178.3 | 0 | 0 | 113.3 | W3 K4 | M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.17Å; M1-K4 PolarHBondContact O-N 2.78Å |
| 2 | L | 57.1 | Low | 60.8 | Low | 143 Ų | 143 | 145.1 Ų | 145.1 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.3 | -31.1 | 177.3 | -81.4 | 152.2 | 0 | 0 | 0 | 115.3 | K4 L5 | L2-K4 VanDerWaalsContact C-N 3.3Å; L2-K4 PolarHBondContact O-N 2.91Å; L2-L5 WeakPolarHBondContact O-CB 3.1Å; L2-L5 PolarHBondContact O-N 3.03Å; L2-L5 VanDerWaalsContact O-N 3.15Å |
| 3 | W | 49.3 | Very low | 61.9 | Low | 224 Ų | 224 | 140.7 Ų | 140.7 | 85% | 0.848 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -67 | -26.3 | 176.5 | -83.3 | 80.9 | 0 | 0 | 0 | 114 | M1 L5 | M1-W3 VanDerWaalsContact C-N 3.33Å; M1-W3 PolarHBondContact O-N 3.17Å; W3-L5 VanDerWaalsContact C-N 3.3Å |
| 4 | K | 54 | Low | 62.9 | Low | 150 Ų | 150 | 135.4 Ų | 135.4 | 65% | 0.652 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -78.2 | -14.9 | 174.4 | -68.7 | -170.8 | 100.9 | 83.7 | 0 | 113 | M1 L2 | M1-K4 PolarHBondContact O-N 2.78Å; L2-K4 VanDerWaalsContact C-N 3.3Å; L2-K4 PolarHBondContact O-N 2.91Å |
| 5 | L | 58.6 | Low | 63.8 | Low | 123 Ų | 123 | 134.1 Ų | 134.1 | 64% | 0.644 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -75.8 | -35.5 | 177.4 | -123.5 | 87.2 | 0 | 0 | 0 | 111.1 | L2 W3 E7 N8 | L2-L5 WeakPolarHBondContact O-CB 3.1Å; L2-L5 PolarHBondContact O-N 3.03Å; L2-L5 VanDerWaalsContact O-N 3.15Å; W3-L5 VanDerWaalsContact C-N 3.3Å; L5-E7 VanDerWaalsContact C-N 3.34Å; L5-N8 PolarHBondContact O-N 2.62Å |
| 6 | V | 59.6 | Low | 64.6 | Low | 112 Ų | 112 | 131.9 Ų | 131.9 | 68% | 0.679 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -67.6 | -35.2 | 179 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | N8 | V6-N8 VanDerWaalsContact C-N 3.29Å; V6-N8 PolarHBondContact O-N 3.45Å |
| 7 | E | 61 | Low | 65.5 | Low | 147 Ų | 147 | 131.1 Ų | 131.1 | 69% | 0.687 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -15.1 | 179.8 | -65.2 | -178.9 | 171 | 0 | 0 | 114 | L5 | L5-E7 VanDerWaalsContact C-N 3.34Š|
| 8 | N | 60.6 | Low | 66.4 | Low | 129 Ų | 129 | 129.3 Ų | 129.3 | 69% | 0.69 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.8 | -5.5 | -178.1 | -79.4 | 5.1 | 0 | 0 | 0 | 113.6 | L5 V6 K10 | L5-N8 PolarHBondContact O-N 2.62Å; V6-N8 VanDerWaalsContact C-N 3.29Å; V6-N8 PolarHBondContact O-N 3.45Å; N8-K10 PolarHBondContact O-N 3.24Å |
| 9 | V | 65.3 | Low | 67 | Low | 63 Ų | 63 | 126.9 Ų | 126.9 | 38% | 0.382 | 61% | 0.611 | S | S | . | * | S | Bend | trans | -77.7 | 109.4 | 172.5 | -171.7 | 0 | 0 | 0 | 0 | 107 | D13 I14 | V9-D13 HydrophobicContact CG1-CB 3.89Å; V9-I14 HydrophobicContact CB-CG1 4.42Å; V9-I14 HydrophobicContact CG1-CD1 4.14Å; V9-I14 HydrophobicContact CG1-CG1 3.5Å |
| 10 | K | 74.6 | Confident | 67.4 | Low | 149 Ų | 149 | 126.5 Ų | 126.5 | 65% | 0.648 | 61% | 0.607 | S | S | * | * | | | trans | -64.7 | 144.5 | 178.1 | -65.5 | 177.2 | -178.2 | 176.5 | 0 | 108 | N8 E12 D13 I14 | N8-K10 PolarHBondContact O-N 3.24Å; K10-E12 PolarHBondContact O-N 2.91Å; K10-E12 VanDerWaalsContact O-N 3.07Å; K10-D13 WeakPolarHBondContact O-CA 3.46Å; K10-D13 WeakPolarHBondContact O-CB 3.21Å; K10-D13 PolarHBondContact O-N 3.11Å; K10-I14 PolarHBondContact O-N 2.92Å |
| 11 | Y | 65.4 | Low | 67.8 | Low | 155 Ų | 155 | 123.8 Ų | 123.8 | 61% | 0.608 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -54.4 | -32.3 | 179.1 | -151 | -116.5 | 0 | 0 | 0 | 111.7 | I14 Y15 | Y11-I14 PolarHBondContact O-N 2.76Å; Y11-Y15 AromaticContact CD1-CD2 3.73Å; Y11-Y15 HydrophobicContact CD1-CD2 3.73Å; Y11-Y15 AromaticContact CD1-CE2 3.14Å; Y11-Y15 HydrophobicContact CD1-CE2 3.14Å; Y11-Y15 HydrophobicContact CE1-CD2 4.06Å; Y11-Y15 AromaticContact CE1-CE2 3.09Å; Y11-Y15 HydrophobicContact CE1-CE2 3.09Å; Y11-Y15 AromaticContact CE1-CZ 3.45Å; Y11-Y15 VanDerWaalsContact CE1-CZ 3.45Å; Y11-Y15 VanDerWaalsContact CE1-OH 3.26Å; Y11-Y15 WeakPolarHBondContact CE1-OH 3.43Å; Y11-Y15 HydrophobicContact CG-CD2 4.45Å; Y11-Y15 HydrophobicContact CG-CE2 4.2Å; Y11-Y15 VanDerWaalsContact O-CD2 3.25Å; Y11-Y15 WeakPolarHBondContact O-CD2 2.99Å; Y11-Y15 PolarHBondContact O-N 2.81Å |
| 12 | E | 68.6 | Low | 68.4 | Low | 129 Ų | 129 | 121.2 Ų | 121.2 | 60% | 0.603 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -59.2 | -42.9 | 170.5 | -57.7 | -57.9 | 113.2 | 0 | 0 | 113.4 | K10 I14 Y15 E16 | K10-E12 PolarHBondContact O-N 2.91Å; K10-E12 VanDerWaalsContact O-N 3.07Å; E12-I14 VanDerWaalsContact C-N 3.29Å; E12-I14 PolarHBondContact O-N 3.46Å; E12-Y15 PolarHBondContact O-N 3.21Å; E12-E16 WeakPolarHBondContact O-CB 3.26Å; E12-E16 WeakPolarHBondContact O-CG 3.23Å; E12-E16 PolarHBondContact O-N 3.06Å |
| 13 | D | 74.8 | Confident | 68.9 | Low | 88 Ų | 88 | 117.9 Ų | 117.9 | 47% | 0.471 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.9 | -32.3 | 178.7 | -67.6 | -39.2 | 0 | 0 | 0 | 111.4 | V9 K10 M17 | V9-D13 HydrophobicContact CG1-CB 3.89Å; K10-D13 WeakPolarHBondContact O-CA 3.46Å; K10-D13 WeakPolarHBondContact O-CB 3.21Å; K10-D13 PolarHBondContact O-N 3.11Å; D13-M17 VanDerWaalsContact O-CB 3.23Å; D13-M17 WeakPolarHBondContact O-CB 3.27Å; D13-M17 PolarHBondContact O-N 3.01Å |
| 14 | I | 76.2 | Confident | 69.6 | Low | 67 Ų | 67 | 110.1 Ų | 110.1 | 34% | 0.344 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.1 | -43.1 | 174.3 | -55.4 | 178.5 | 0 | 0 | 0 | 109.8 | V9 K10 Y11 E12 M17 L18 | V9-I14 HydrophobicContact CB-CG1 4.42Å; V9-I14 HydrophobicContact CG1-CD1 4.14Å; V9-I14 HydrophobicContact CG1-CG1 3.5Å; K10-I14 PolarHBondContact O-N 2.92Å; Y11-I14 PolarHBondContact O-N 2.76Å; E12-I14 VanDerWaalsContact C-N 3.29Å; E12-I14 PolarHBondContact O-N 3.46Å; I14-M17 PolarHBondContact O-N 2.75Å; I14-L18 HydrophobicContact CG2-CD1 3.88Å; I14-L18 WeakPolarHBondContact O-CB 3.35Å; I14-L18 WeakPolarHBondContact O-CD1 3.33Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 3.01Å |
| 15 | Y | 75.4 | Confident | 70.1 | Confident | 115 Ų | 115 | 108.5 Ų | 108.5 | 45% | 0.451 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.9 | -47 | 175.8 | -83.8 | -58.9 | 0 | 0 | 0 | 112.3 | Y11 E12 M17 L18 V19 | Y11-Y15 AromaticContact CD1-CD2 3.73Å; Y11-Y15 HydrophobicContact CD1-CD2 3.73Å; Y11-Y15 AromaticContact CD1-CE2 3.14Å; Y11-Y15 HydrophobicContact CD1-CE2 3.14Å; Y11-Y15 HydrophobicContact CE1-CD2 4.06Å; Y11-Y15 AromaticContact CE1-CE2 3.09Å; Y11-Y15 HydrophobicContact CE1-CE2 3.09Å; Y11-Y15 AromaticContact CE1-CZ 3.45Å; Y11-Y15 VanDerWaalsContact CE1-CZ 3.45Å; Y11-Y15 VanDerWaalsContact CE1-OH 3.26Å; Y11-Y15 WeakPolarHBondContact CE1-OH 3.43Å; Y11-Y15 HydrophobicContact CG-CD2 4.45Å; Y11-Y15 HydrophobicContact CG-CE2 4.2Å; Y11-Y15 VanDerWaalsContact O-CD2 3.25Å; Y11-Y15 WeakPolarHBondContact O-CD2 2.99Å; Y11-Y15 PolarHBondContact O-N 2.81Å; E12-Y15 PolarHBondContact O-N 3.21Å; Y15-M17 VanDerWaalsContact C-N 3.34Å; Y15-M17 PolarHBondContact O-N 3.28Å; Y15-L18 PolarHBondContact O-N 3.09Å; Y15-V19 WeakPolarHBondContact O-CB 3.4Å; Y15-V19 VanDerWaalsContact O-CG2 3.24Å; Y15-V19 WeakPolarHBondContact O-CG2 3.33Å; Y15-V19 PolarHBondContact O-N 3.42Å |
| 16 | E | 77 | Confident | 70.2 | Confident | 100 Ų | 100 | 108.4 Ų | 108.4 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 175.9 | -72.9 | -65.3 | 142.6 | 0 | 0 | 110.7 | E12 L18 V19 H20 | E12-E16 WeakPolarHBondContact O-CB 3.26Å; E12-E16 WeakPolarHBondContact O-CG 3.23Å; E12-E16 PolarHBondContact O-N 3.06Å; E16-L18 PolarHBondContact O-N 3.17Å; E16-V19 PolarHBondContact O-N 2.73Å; E16-H20 WeakPolarHBondContact O-CB 3.24Å; E16-H20 VanDerWaalsContact O-CG 3.27Å; E16-H20 PolarHBondContact O-N 2.98Å; E16-H20 PolarHBondContact O-ND1 2.72Å; E16-H20 IonicContact OE2-CE1 3.12Å; E16-H20 PolarHBondContact OE2-CE1 3.35Å; E16-H20 IonicContact OE2-ND1 3.78Å; E16-H20 IonicContact OE2-NE2 4Å |
| 17 | M | 80.4 | Confident | 70.2 | Confident | 117 Ų | 117 | 113.1 Ų | 113.1 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.1 | -44.9 | 175.2 | -173.4 | -156.4 | -52.1 | 0 | 0 | 111.9 | D13 I14 Y15 T21 | D13-M17 VanDerWaalsContact O-CB 3.23Å; D13-M17 WeakPolarHBondContact O-CB 3.27Å; D13-M17 PolarHBondContact O-N 3.01Å; I14-M17 PolarHBondContact O-N 2.75Å; Y15-M17 VanDerWaalsContact C-N 3.34Å; Y15-M17 PolarHBondContact O-N 3.28Å; M17-T21 VanDerWaalsContact O-CB 3.27Å; M17-T21 WeakPolarHBondContact O-CB 3.41Å; M17-T21 PolarHBondContact O-N 3.41Å; M17-T21 PolarHBondContact O-OG1 3.26Å |
| 18 | L | 81.1 | Confident | 70 | Confident | 100 Ų | 100 | 113.8 Ų | 113.8 | 52% | 0.524 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -64.1 | -45.5 | 178.2 | -84.9 | 159 | 0 | 0 | 0 | 111.6 | I14 Y15 E16 T21 Y22 | I14-L18 HydrophobicContact CG2-CD1 3.88Å; I14-L18 WeakPolarHBondContact O-CB 3.35Å; I14-L18 WeakPolarHBondContact O-CD1 3.33Å; I14-L18 WeakPolarHBondContact O-CG 3.36Å; I14-L18 PolarHBondContact O-N 3.01Å; Y15-L18 PolarHBondContact O-N 3.09Å; E16-L18 PolarHBondContact O-N 3.17Å; L18-T21 PolarHBondContact O-N 2.98Å; L18-Y22 WeakPolarHBondContact O-CB 3.49Å; L18-Y22 PolarHBondContact O-N 3.32Å |
| 19 | V | 78.7 | Confident | 69.7 | Low | 84 Ų | 84 | 115.1 Ų | 115.1 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.9 | -45.2 | 179 | 170.7 | 0 | 0 | 0 | 0 | 110.9 | Y15 E16 Y22 S23 | Y15-V19 WeakPolarHBondContact O-CB 3.4Å; Y15-V19 VanDerWaalsContact O-CG2 3.24Å; Y15-V19 WeakPolarHBondContact O-CG2 3.33Å; Y15-V19 PolarHBondContact O-N 3.42Å; E16-V19 PolarHBondContact O-N 2.73Å; V19-Y22 PolarHBondContact O-N 2.93Å; V19-S23 WeakPolarHBondContact O-CB 3.43Å; V19-S23 PolarHBondContact O-N 3.2Å |
| 20 | H | 73.9 | Confident | 69 | Low | 118 Ų | 118 | 114.7 Ų | 114.7 | 55% | 0.546 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.5 | -41 | 176.8 | -72.4 | 116.2 | 0 | 0 | 0 | 112.2 | E16 S24 | E16-H20 WeakPolarHBondContact O-CB 3.24Å; E16-H20 VanDerWaalsContact O-CG 3.27Å; E16-H20 PolarHBondContact O-N 2.98Å; E16-H20 PolarHBondContact O-ND1 2.72Å; E16-H20 IonicContact OE2-CE1 3.12Å; E16-H20 PolarHBondContact OE2-CE1 3.35Å; E16-H20 IonicContact OE2-ND1 3.78Å; E16-H20 IonicContact OE2-NE2 4Å; H20-S24 WeakPolarHBondContact O-CB 3.4Å; H20-S24 PolarHBondContact O-N 2.91Å; H20-S24 PolarHBondContact O-OG 2.98Å |
| 21 | T | 76.8 | Confident | 67.9 | Low | 70 Ų | 70 | 113.7 Ų | 113.7 | 43% | 0.429 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -63.4 | -45.2 | 176.4 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | M17 L18 S24 M25 | M17-T21 VanDerWaalsContact O-CB 3.27Å; M17-T21 WeakPolarHBondContact O-CB 3.41Å; M17-T21 PolarHBondContact O-N 3.41Å; M17-T21 PolarHBondContact O-OG1 3.26Å; L18-T21 PolarHBondContact O-N 2.98Å; T21-S24 PolarHBondContact O-N 3.44Å; T21-S24 PolarHBondContact O-OG 3.24Å; T21-M25 HydrophobicContact CG2-SD 4.07Å; T21-M25 PolarHBondContact O-N 2.84Å; T21-M25 VanDerWaalsContact O-N 3.11Å |
| 22 | Y | 68.4 | Low | 67.1 | Low | 162 Ų | 162 | 112.6 Ų | 112.6 | 64% | 0.635 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66 | -45.5 | 178.8 | -136.8 | -92.2 | 0 | 0 | 0 | 112.3 | L18 V19 S24 M25 D26 | L18-Y22 WeakPolarHBondContact O-CB 3.49Å; L18-Y22 PolarHBondContact O-N 3.32Å; V19-Y22 PolarHBondContact O-N 2.93Å; Y22-S24 PolarHBondContact O-N 2.74Å; Y22-M25 PolarHBondContact O-N 3.04Å; Y22-M25 VanDerWaalsContact O-N 3.13Å; Y22-D26 PolarHBondContact O-N 3.46Å; Y22-D26 VanDerWaalsContact O-N 3.17Å |
| 23 | S | 67.4 | Low | 66.2 | Low | 74 Ų | 74 | 110.5 Ų | 110.5 | 52% | 0.517 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61 | -31.5 | 174.1 | -98.3 | 0 | 0 | 0 | 0 | 113.3 | V19 | V19-S23 WeakPolarHBondContact O-CB 3.43Å; V19-S23 PolarHBondContact O-N 3.2Å |
| 24 | S | 63.4 | Low | 65.2 | Low | 60 Ų | 60 | 114 Ų | 114 | 42% | 0.42 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -71.8 | -35.7 | 176 | 76 | 0 | 0 | 0 | 0 | 112.1 | H20 T21 Y22 R27 H28 | H20-S24 WeakPolarHBondContact O-CB 3.4Å; H20-S24 PolarHBondContact O-N 2.91Å; H20-S24 PolarHBondContact O-OG 2.98Å; T21-S24 PolarHBondContact O-N 3.44Å; T21-S24 PolarHBondContact O-OG 3.24Å; Y22-S24 PolarHBondContact O-N 2.74Å; S24-R27 PolarHBondContact O-N 2.92Å; S24-H28 PolarHBondContact O-CD2 3.12Å; S24-H28 VanDerWaalsContact O-CD2 3.24Å |
| 25 | M | 64.5 | Low | 63.5 | Low | 117 Ų | 117 | 115.9 Ų | 115.9 | 58% | 0.576 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -70.4 | -33.2 | 178.1 | -88.3 | 151 | 66.3 | 0 | 0 | 112.8 | T21 Y22 R27 H28 | T21-M25 HydrophobicContact CG2-SD 4.07Å; T21-M25 PolarHBondContact O-N 2.84Å; T21-M25 VanDerWaalsContact O-N 3.11Å; Y22-M25 PolarHBondContact O-N 3.04Å; Y22-M25 VanDerWaalsContact O-N 3.13Å; M25-R27 PolarHBondContact O-N 2.84Å; M25-H28 PolarHBondContact O-N 3.05Å |
| 26 | D | 60.3 | Low | 62.3 | Low | 120 Ų | 120 | 115.1 Ų | 115.1 | 64% | 0.642 | 63% | 0.628 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -15 | 176 | -99.7 | -87.7 | 0 | 0 | 0 | 114.3 | Y22 | Y22-D26 PolarHBondContact O-N 3.46Å; Y22-D26 VanDerWaalsContact O-N 3.17Å |
| 27 | R | 60.5 | Low | 61.3 | Low | 212 Ų | 212 | 121.2 Ų | 121.2 | 80% | 0.8 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.6 | -1.7 | -178.3 | -69 | -169.4 | 174.4 | -150.6 | -0.7 | 114.6 | S24 M25 | S24-R27 PolarHBondContact O-N 2.92Å; M25-R27 PolarHBondContact O-N 2.84Å |
| 28 | H | 56.6 | Low | 59.9 | Low | 161 Ų | 161 | 123.2 Ų | 123.2 | 75% | 0.745 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -3.9 | -174.2 | -81.1 | -71 | 0 | 0 | 0 | 115.7 | S24 M25 | S24-H28 PolarHBondContact O-CD2 3.12Å; S24-H28 VanDerWaalsContact O-CD2 3.24Å; M25-H28 PolarHBondContact O-N 3.05Å |
| 29 | D | 54.3 | Low | 58.5 | Low | 157 Ų | 157 | 123 Ų | 123 | 84% | 0.84 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 0.5 | 173.4 | -79.8 | -66.6 | 0 | 0 | 0 | 114.2 | | |
| 30 | G | 50.1 | Low | 57.4 | Low | 53 Ų | 53 | 127.4 Ų | 127.4 | 55% | 0.546 | 68% | 0.681 | S | S | . | * | S | Bend | trans | -99.8 | 98.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P32 | G30-P32 WeakPolarHBondContact O-CD 3.25Š|
| 31 | V | 51.7 | Low | 56.3 | Low | 128 Ų | 128 | 129.9 Ų | 129.9 | 78% | 0.776 | 70% | 0.697 | S | S | * | * | | | trans | -45.2 | 121.1 | 164.6 | -156.6 | 0 | 0 | 0 | 0 | 109.4 | S33 | V31-S33 VanDerWaalsContact C-N 3.28Å; V31-S33 PolarHBondContact O-N 3.14Å |
| 32 | P | 49 | Very low | 55.1 | Low | 132 Ų | 132 | 130 Ų | 130 | 86% | 0.857 | 71% | 0.713 | S | S | * | * | | | trans | -76.3 | 83.6 | 177.6 | -12.1 | 27.8 | 0 | 0 | 0 | 109.7 | G30 H34 | G30-P32 WeakPolarHBondContact O-CD 3.25Å; P32-H34 PolarHBondContact O-N 3.1Å |
| 33 | S | 48.7 | Very low | 54.5 | Low | 85 Ų | 85 | 127.4 Ų | 127.4 | 59% | 0.594 | 72% | 0.718 | S | S | * | * | | | trans | -84.1 | 110.9 | 170.6 | -129.7 | 0 | 0 | 0 | 0 | 109.7 | V31 | V31-S33 VanDerWaalsContact C-N 3.28Å; V31-S33 PolarHBondContact O-N 3.14Å |
| 34 | H | 55.6 | Low | 53.7 | Low | 163 Ų | 163 | 130.7 Ų | 130.7 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | trans | 71.2 | 100.5 | 159 | -43.5 | -63.3 | 0 | 0 | 0 | 118.5 | P32 | P32-H34 PolarHBondContact O-N 3.1Š|
| 35 | S | 39.2 | Very low | 52.8 | Low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | | | | -141.1 | 93.4 | 127.3 | -164.2 | 0 | 0 | 0 | 0 | 109.9 | | |
| 36 | S | 51.6 | Low | 52.3 | Low | 99 Ų | 99 | 136.1 Ų | 136.1 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | | | trans | -58.7 | 131.1 | 157.6 | -56.1 | 0 | 0 | 0 | 0 | 108.1 | | |
| 37 | R | 54.5 | Low | 51.9 | Low | 227 Ų | 227 | 132.5 Ų | 132.5 | 86% | 0.857 | 76% | 0.756 | S | S | * | * | | | trans | 86.5 | 71.7 | 167.9 | -47.5 | 176.9 | -175.1 | -103 | 0.1 | 116.6 | | |
| 38 | L | 51 | Low | 51.8 | Low | 159 Ų | 159 | 128.6 Ų | 128.6 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | | | trans | -113.2 | 89.1 | 136.9 | -108.5 | 94.1 | 0 | 0 | 0 | 108.7 | | |
| 39 | S | 52.9 | Low | 51.7 | Low | 95 Ų | 95 | 130.9 Ų | 130.9 | 66% | 0.664 | 76% | 0.761 | S | S | * | * | | | trans | -77.6 | 133.8 | 161.6 | -61.6 | 0 | 0 | 0 | 0 | 108.4 | | |
| 40 | Q | 54 | Low | 51.5 | Low | 177 Ų | 177 | 128.5 Ų | 128.5 | 83% | 0.827 | 76% | 0.757 | S | S | * | * | | | trans | 68.5 | 77 | 152.1 | -57.2 | 171.4 | 24.3 | 0 | 0 | 117.9 | | |
| 41 | L | 52.1 | Low | 52.1 | Low | 170 Ų | 170 | 130.9 Ų | 130.9 | 89% | 0.89 | 77% | 0.765 | S | S | * | * | | | trans | -118.4 | 112.6 | 142.3 | -73.2 | 174.9 | 0 | 0 | 0 | 108.4 | | |
| 42 | G | 50.8 | Low | 52.6 | Low | 74 Ų | 74 | 128.6 Ų | 128.6 | 76% | 0.763 | 76% | 0.76 | S | S | * | * | | | trans | -71.7 | 149.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 43 | S | 55.4 | Low | 53.3 | Low | 106 Ų | 106 | 127.4 Ų | 127.4 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | | | trans | 28.2 | 117.5 | 145.8 | -171 | 0 | 0 | 0 | 0 | 118 | | |
| 44 | V | 51.3 | Low | 54 | Low | 144 Ų | 144 | 128.6 Ų | 128.6 | 87% | 0.873 | 76% | 0.758 | S | S | * | * | | | | -166.1 | 107.6 | 128.8 | 138.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 45 | S | 45.9 | Very low | 54.4 | Low | 115 Ų | 115 | 127.6 Ų | 127.6 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | 163.1 | 99.6 | 130.6 | -166.2 | 0 | 0 | 0 | 0 | 108.6 | G47 | S45-G47 PolarHBondContact O-N 2.74Š|
| 46 | Q | 52.8 | Low | 55.1 | Low | 175 Ų | 175 | 127.4 Ų | 127.4 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | | | trans | -79.7 | 105.5 | 174.6 | -70.5 | -91.5 | -12.8 | 0 | 0 | 108.3 | | |
| 47 | G | 52.9 | Low | 55.1 | Low | 44 Ų | 44 | 130.2 Ų | 130.2 | 45% | 0.454 | 76% | 0.758 | S | S | . | * | | | trans | -79.3 | 155.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | S45 Y49 | S45-G47 PolarHBondContact O-N 2.74Å; G47-Y49 PolarHBondContact O-N 2.82Å |
| 48 | P | 56.7 | Low | 55 | Low | 130 Ų | 130 | 124.3 Ų | 124.3 | 84% | 0.844 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -69.2 | -1.2 | -173.1 | 27.4 | -34.2 | 0 | 0 | 0 | 114.9 | | |
| 49 | Y | 55 | Low | 55.4 | Low | 209 Ų | 209 | 122.7 Ų | 122.7 | 82% | 0.82 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -106.9 | 105.3 | 167.6 | -61.7 | -77 | 0 | 0 | 0 | 107.4 | G47 S51 | G47-Y49 PolarHBondContact O-N 2.82Å; Y49-S51 PolarHBondContact O-N 3.43Å |
| 50 | S | 51.3 | Low | 55.6 | Low | 107 Ų | 107 | 122.2 Ų | 122.2 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | | | trans | -52.9 | 105.2 | 171.5 | -175.9 | 0 | 0 | 0 | 0 | 107.9 | A52 | S50-A52 PolarHBondContact O-N 2.86Å; S50-A52 VanDerWaalsContact O-N 3.15Å |
| 51 | S | 61.4 | Low | 55.9 | Low | 103 Ų | 103 | 117.7 Ų | 117.7 | 72% | 0.72 | 73% | 0.731 | S | S | * | * | | | trans | -55.3 | 126.5 | 170.7 | 64.2 | 0 | 0 | 0 | 0 | 106.4 | Y49 | Y49-S51 PolarHBondContact O-N 3.43Š|
| 52 | A | 63.1 | Low | 56.5 | Low | 81 Ų | 81 | 116.7 Ų | 116.7 | 67% | 0.669 | 73% | 0.726 | S | S | * | * | | | trans | -44.9 | 135.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | S50 | S50-A52 PolarHBondContact O-N 2.86Å; S50-A52 VanDerWaalsContact O-N 3.15Å |
| 53 | P | 63.9 | Low | 57.1 | Low | 106 Ų | 106 | 121.6 Ų | 121.6 | 69% | 0.688 | 73% | 0.727 | S | S | * | * | | | trans | -52.3 | 135.1 | 178.3 | 20.4 | -30.3 | 0 | 0 | 0 | 108.1 | L55 | P53-L55 PolarHBondContact O-N 3.3Å; P53-L55 VanDerWaalsContact O-N 3.1Å |
| 54 | P | 63.3 | Low | 58.1 | Low | 110 Ų | 110 | 124.8 Ų | 124.8 | 71% | 0.714 | 73% | 0.73 | S | S | * | * | | | trans | -53.5 | 126.7 | -178.4 | 22 | -32.2 | 0 | 0 | 0 | 107.9 | S56 | P54-S56 VanDerWaalsContact C-N 3.28Å; P54-S56 PolarHBondContact O-N 3.15Å; P54-S56 PolarHBondContact O-OG 3Å |
| 55 | L | 62.6 | Low | 59.5 | Low | 143 Ų | 143 | 122.8 Ų | 122.8 | 75% | 0.749 | 72% | 0.72 | S | S | * | * | | | trans | -55.3 | 100.6 | 173.3 | -115.9 | 89.1 | 0 | 0 | 0 | 106.5 | P53 H57 | P53-L55 PolarHBondContact O-N 3.3Å; P53-L55 VanDerWaalsContact O-N 3.1Å; L55-H57 PolarHBondContact O-N 2.91Å |
| 56 | S | 55 | Low | 61.2 | Low | 101 Ų | 101 | 122.2 Ų | 122.2 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | | | trans | -75.1 | 85.9 | 178.8 | -62.7 | 0 | 0 | 0 | 0 | 105.7 | P54 T58 | P54-S56 VanDerWaalsContact C-N 3.28Å; P54-S56 PolarHBondContact O-N 3.15Å; P54-S56 PolarHBondContact O-OG 3Å; S56-T58 PolarHBondContact O-N 3.39Å |
| 57 | H | 52 | Low | 62.7 | Low | 158 Ų | 158 | 123.1 Ų | 123.1 | 73% | 0.731 | 71% | 0.711 | S | S | * | * | | | trans | -64.2 | 88.1 | 161.1 | -71.4 | -83.8 | 0 | 0 | 0 | 105.9 | L55 P59 | L55-H57 PolarHBondContact O-N 2.91Å; H57-P59 WeakPolarHBondContact O-CD 3.49Å; H57-P59 VanDerWaalsContact O-N 3.16Å |
| 58 | T | 52.3 | Low | 64.3 | Low | 104 Ų | 104 | 129.2 Ų | 129.2 | 64% | 0.638 | 73% | 0.725 | S | S | * | * | | | trans | -54.9 | 118.2 | 159.4 | 46.1 | 0 | 0 | 0 | 0 | 105.3 | S56 S60 | S56-T58 PolarHBondContact O-N 3.39Å; T58-S60 PolarHBondContact O-N 3.45Å |
| 59 | P | 58.8 | Low | 65.8 | Low | 125 Ų | 125 | 127 Ų | 127 | 81% | 0.812 | 71% | 0.711 | S | S | * | * | | | trans | -73.6 | 63 | 168.8 | 34.1 | -34.3 | 0 | 0 | 0 | 107.2 | H57 S61 | H57-P59 WeakPolarHBondContact O-CD 3.49Å; H57-P59 VanDerWaalsContact O-N 3.16Å; P59-S61 PolarHBondContact O-N 3.24Å |
| 60 | S | 56.3 | Low | 67.3 | Low | 85 Ų | 85 | 121.2 Ų | 121.2 | 59% | 0.594 | 70% | 0.699 | S | S | * | * | | | trans | -71.1 | 62.5 | 153.7 | -75.3 | 0 | 0 | 0 | 0 | 106.5 | T58 D62 | T58-S60 PolarHBondContact O-N 3.45Å; S60-D62 PolarHBondContact O-N 2.74Å |
| 61 | S | 61.4 | Low | 68.9 | Low | 82 Ų | 82 | 121.8 Ų | 121.8 | 57% | 0.573 | 70% | 0.7 | S | S | * | * | | | trans | -71.9 | 69.8 | 152.9 | -170.3 | 0 | 0 | 0 | 0 | 105.5 | P59 F63 | P59-S61 PolarHBondContact O-N 3.24Å; S61-F63 CarbonylContact O-C 3.39Å; S61-F63 PolarHBondContact O-N 3.12Å; S61-F63 VanDerWaalsContact O-N 3.12Å; S61-F63 PolarHBondContact OG-O 2.96Å |
| 62 | D | 64.5 | Low | 69.9 | Low | 148 Ų | 148 | 127.2 Ų | 127.2 | 79% | 0.791 | 71% | 0.706 | S | S | * | * | | | trans | -57.7 | -14.9 | 164.8 | -82 | -57.8 | 0 | 0 | 0 | 110.8 | S60 Q64 | S60-D62 PolarHBondContact O-N 2.74Å; D62-Q64 PolarHBondContact O-N 3.38Å |
| 63 | F | 62.8 | Low | 71 | Confident | 178 Ų | 178 | 131.6 Ų | 131.6 | 78% | 0.781 | 71% | 0.713 | S | S | * | * | | | trans | -73.6 | 74.8 | 158.9 | -122.9 | -94.4 | 0 | 0 | 0 | 110.3 | S61 | S61-F63 CarbonylContact O-C 3.39Å; S61-F63 PolarHBondContact O-N 3.12Å; S61-F63 VanDerWaalsContact O-N 3.12Å; S61-F63 PolarHBondContact OG-O 2.96Å |
| 64 | Q | 77.9 | Confident | 71.6 | Confident | 172 Ų | 172 | 132.3 Ų | 132.3 | 80% | 0.804 | 72% | 0.718 | S | S | * | * | | | trans | -68.8 | 122.4 | 153.3 | -84.4 | 177.8 | -37.1 | 0 | 0 | 107 | D62 | D62-Q64 PolarHBondContact O-N 3.38Š|
| 65 | P | 78.8 | Confident | 72.1 | Confident | 103 Ų | 103 | 133.3 Ų | 133.3 | 67% | 0.669 | 72% | 0.717 | S | S | * | * | | | trans | -57 | 143.3 | 171.7 | 25.3 | -32.7 | 0 | 0 | 0 | 108.6 | Y67 | P65-Y67 PolarHBondContact O-N 2.87Š|
| 66 | P | 82.7 | Confident | 72.4 | Confident | 102 Ų | 102 | 131.4 Ų | 131.4 | 66% | 0.662 | 71% | 0.713 | S | S | * | * | | | trans | -56.2 | 115.4 | -177.7 | 20.8 | -30.9 | 0 | 0 | 0 | 109.4 | F68 | P66-F68 PolarHBondContact O-N 3.29Š|
| 67 | Y | 83.2 | Confident | 72.4 | Confident | 195 Ų | 195 | 136.6 Ų | 136.6 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 116.4 | 175.1 | -177.1 | -99.7 | 0 | 0 | 0 | 108.4 | P65 | P65-Y67 PolarHBondContact O-N 2.87Š|
| 68 | F | 87.7 | Confident | 72.7 | Confident | 171 Ų | 171 | 136.8 Ų | 136.8 | 75% | 0.75 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 128.1 | 170.6 | -78.8 | -91 | 0 | 0 | 0 | 108.9 | P66 | P66-F68 PolarHBondContact O-N 3.29Š|
| 69 | P | 88.6 | Confident | 72.9 | Confident | 84 Ų | 84 | 140.5 Ų | 140.5 | 55% | 0.545 | 73% | 0.729 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 145.1 | 175 | 26.5 | -33.2 | 0 | 0 | 0 | 109.3 | | |
| 70 | P | 85.4 | Confident | 72.5 | Confident | 88 Ų | 88 | 139.1 Ų | 139.1 | 57% | 0.571 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 144.7 | 174.1 | 25.2 | -33.3 | 0 | 0 | 0 | 109.6 | Y72 | P70-Y72 PolarHBondContact O-N 3.26Š|
| 71 | P | 85.8 | Confident | 72.4 | Confident | 119 Ų | 119 | 144 Ų | 144 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -57 | 134.4 | -179.3 | 23.4 | -33.1 | 0 | 0 | 0 | 110.1 | Q73 | P71-Q73 PolarHBondContact O-N 3.23Å; P71-Q73 VanDerWaalsContact O-N 3.09Å |
| 72 | Y | 82.6 | Confident | 72.1 | Confident | 216 Ų | 216 | 145.5 Ų | 145.5 | 85% | 0.847 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 119.5 | 176 | -64.5 | -74 | 0 | 0 | 0 | 109.1 | P70 | P70-Y72 PolarHBondContact O-N 3.26Š|
| 73 | Q | 84.6 | Confident | 71.9 | Confident | 173 Ų | 173 | 142.7 Ų | 142.7 | 81% | 0.808 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 135.7 | 171.7 | -67.5 | -173.9 | -9.6 | 0 | 0 | 108.1 | P71 L75 | P71-Q73 PolarHBondContact O-N 3.23Å; P71-Q73 VanDerWaalsContact O-N 3.09Å; Q73-L75 PolarHBondContact O-N 3.17Å |
| 74 | P | 76.8 | Confident | 71.3 | Confident | 121 Ų | 121 | 142.8 Ų | 142.8 | 79% | 0.786 | 72% | 0.724 | S | S | * | * | | | trans | -61.2 | 114.5 | 172.5 | 25.2 | -31.1 | 0 | 0 | 0 | 107.4 | | |
| 75 | L | 74.2 | Confident | 70.3 | Confident | 132 Ų | 132 | 139.1 Ų | 139.1 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | | | trans | -56.4 | 130.1 | 168 | -73.7 | 156.2 | 0 | 0 | 0 | 106.4 | Q73 Y77 | Q73-L75 PolarHBondContact O-N 3.17Å; L75-Y77 WeakPolarHBondContact O-CD2 3.44Å; L75-Y77 PolarHBondContact O-N 2.68Å |
| 76 | P | 69.3 | Low | 69.3 | Low | 103 Ų | 103 | 140.4 Ų | 140.4 | 67% | 0.669 | 71% | 0.714 | S | S | * | * | | | trans | -61.8 | 97 | 167.1 | 24 | -28.3 | 0 | 0 | 0 | 106 | H78 | P76-H78 PolarHBondContact O-N 3.47Š|
| 77 | Y | 55.4 | Low | 68.1 | Low | 210 Ų | 210 | 140.5 Ų | 140.5 | 82% | 0.824 | 71% | 0.712 | S | S | * | * | | | trans | -60.1 | 95.5 | 156.1 | -68.5 | -81.6 | 0 | 0 | 0 | 103.6 | L75 Q79 | L75-Y77 WeakPolarHBondContact O-CD2 3.44Å; L75-Y77 PolarHBondContact O-N 2.68Å; Y77-Q79 PolarHBondContact O-N 2.93Å |
| 78 | H | 57.9 | Low | 66.7 | Low | 161 Ų | 161 | 138.3 Ų | 138.3 | 75% | 0.745 | 71% | 0.714 | S | S | * | * | | | trans | -58.3 | 96.2 | 157.5 | -83.1 | -85.9 | 0 | 0 | 0 | 103.8 | P76 S80 | P76-H78 PolarHBondContact O-N 3.47Å; H78-S80 PolarHBondContact O-N 3.44Å |
| 79 | Q | 55.9 | Low | 65.2 | Low | 183 Ų | 183 | 134.3 Ų | 134.3 | 86% | 0.855 | 70% | 0.7 | S | S | * | * | | | trans | -41.3 | 114.1 | 161.4 | -172.6 | 171.6 | 9.7 | 0 | 0 | 104 | Y77 Q81 | Y77-Q79 PolarHBondContact O-N 2.93Å; Q79-Q81 PolarHBondContact O-N 3.46Å |
| 80 | S | 50.6 | Low | 63.8 | Low | 96 Ų | 96 | 136 Ų | 136 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | | | trans | -32.8 | 126.5 | -177.5 | -45.4 | 0 | 0 | 0 | 0 | 107.7 | H78 D82 | H78-S80 PolarHBondContact O-N 3.44Å; S80-D82 PolarHBondContact O-N 3.39Å |
| 81 | Q | 55.5 | Low | 62.3 | Low | 188 Ų | 188 | 141.1 Ų | 141.1 | 88% | 0.879 | 72% | 0.721 | S | S | * | * | | | trans | -60.1 | 79 | 167 | -82.1 | 166 | -31.8 | 0 | 0 | 106.6 | Q79 P83 | Q79-Q81 PolarHBondContact O-N 3.46Å; Q81-P83 WeakPolarHBondContact O-CD 3.36Å; Q81-P83 VanDerWaalsContact O-N 3.12Å |
| 82 | D | 54.9 | Low | 61.1 | Low | 112 Ų | 112 | 139.1 Ų | 139.1 | 60% | 0.599 | 71% | 0.709 | S | S | * | * | | | trans | -61.7 | 113.7 | 166.6 | -103.4 | -33 | 0 | 0 | 0 | 103.8 | S80 Y84 S85 | S80-D82 PolarHBondContact O-N 3.39Å; D82-Y84 PolarHBondContact O-N 2.69Å; D82-S85 PolarHBondContact O-N 2.9Å |
| 83 | P | 59.6 | Low | 59.9 | Low | 90 Ų | 90 | 136.4 Ų | 136.4 | 58% | 0.584 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | 2 | -175.2 | -22 | 34.4 | 0 | 0 | 0 | 113.3 | Q81 H86 | Q81-P83 WeakPolarHBondContact O-CD 3.36Å; Q81-P83 VanDerWaalsContact O-N 3.12Å; P83-H86 PolarHBondContact O-CE1 3.45Å |
| 84 | Y | 50.4 | Low | 58.3 | Low | 180 Ų | 180 | 132.9 Ų | 132.9 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -121.3 | 8.3 | -178.4 | -62.9 | -80.4 | 0 | 0 | 0 | 113.2 | D82 H86 V87 | D82-Y84 PolarHBondContact O-N 2.69Å; Y84-H86 PolarHBondContact O-N 2.92Å; Y84-V87 HydrophobicContact CD1-CG2 4.34Å; Y84-V87 WeakPolarHBondContact O-CG2 3.26Å; Y84-V87 PolarHBondContact O-N 3.37Å |
| 85 | S | 57.2 | Low | 57.3 | Low | 95 Ų | 95 | 132.4 Ų | 132.4 | 66% | 0.664 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -17 | -179.6 | -165.7 | 0 | 0 | 0 | 0 | 114 | D82 | D82-S85 PolarHBondContact O-N 2.9Š|
| 86 | H | 56.3 | Low | 56.3 | Low | 130 Ų | 130 | 133.3 Ų | 133.3 | 60% | 0.602 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.5 | -5.6 | -177.3 | 58 | -86.8 | 0 | 0 | 0 | 113.8 | P83 Y84 | P83-H86 PolarHBondContact O-CE1 3.45Å; Y84-H86 PolarHBondContact O-N 2.92Å |
| 87 | V | 58.3 | Low | 55.4 | Low | 103 Ų | 103 | 135.3 Ų | 135.3 | 62% | 0.624 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -87.7 | -4.3 | 179.4 | -75.3 | 0 | 0 | 0 | 0 | 113.6 | Y84 | Y84-V87 HydrophobicContact CD1-CG2 4.34Å; Y84-V87 WeakPolarHBondContact O-CG2 3.26Å; Y84-V87 PolarHBondContact O-N 3.37Å |
| 88 | N | 52.9 | Low | 55.3 | Low | 149 Ų | 149 | 133 Ų | 133 | 80% | 0.797 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -109.7 | -0.1 | -172.4 | -149.7 | 18.1 | 0 | 0 | 0 | 115.4 | | |
| 89 | D | 57 | Low | 54.9 | Low | 87 Ų | 87 | 129.7 Ų | 129.7 | 47% | 0.465 | 69% | 0.687 | S | S | . | * | | | trans | -133.4 | 105.9 | -179.4 | -161 | -15.3 | 0 | 0 | 0 | 112.1 | Y91 S92 | D89-Y91 PolarHBondContact O-N 2.9Å; D89-Y91 PolarHBondContact OD1-N 3.23Å; D89-Y91 VanDerWaalsContact OD1-N 3.11Å; D89-S92 PolarHBondContact O-N 3.13Å |
| 90 | P | 59.1 | Low | 54.8 | Low | 121 Ų | 121 | 128.9 Ų | 128.9 | 79% | 0.786 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -5.2 | 178.5 | 27.5 | -33.2 | 0 | 0 | 0 | 113.6 | | |
| 91 | Y | 55 | Low | 55.1 | Low | 195 Ų | 195 | 130.2 Ų | 130.2 | 77% | 0.765 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | 19.6 | 176.2 | -64.3 | -79.4 | 0 | 0 | 0 | 113.8 | D89 L93 | D89-Y91 PolarHBondContact O-N 2.9Å; D89-Y91 PolarHBondContact OD1-N 3.23Å; D89-Y91 VanDerWaalsContact OD1-N 3.11Å; Y91-L93 VanDerWaalsContact C-N 3.33Å; Y91-L93 PolarHBondContact O-N 2.89Å |
| 92 | S | 59.3 | Low | 54.9 | Low | 76 Ų | 76 | 127.4 Ų | 127.4 | 53% | 0.531 | 67% | 0.665 | S | S | . | * | | | trans | -62.4 | 93.2 | 179.2 | 66.5 | 0 | 0 | 0 | 0 | 111.2 | D89 N94 | D89-S92 PolarHBondContact O-N 3.13Å; S92-N94 PolarHBondContact O-N 3.11Å |
| 93 | L | 57.3 | Low | 54.8 | Low | 160 Ų | 160 | 127.3 Ų | 127.3 | 84% | 0.838 | 67% | 0.671 | S | S | * | * | | | trans | -64.7 | 130.5 | 172.7 | -78.2 | 156.2 | 0 | 0 | 0 | 108.5 | Y91 | Y91-L93 VanDerWaalsContact C-N 3.33Å; Y91-L93 PolarHBondContact O-N 2.89Å |
| 94 | N | 50.7 | Low | 54.4 | Low | 99 Ų | 99 | 134.6 Ų | 134.6 | 53% | 0.529 | 69% | 0.687 | S | S | . | * | | | trans | -41.9 | 125.9 | -178.9 | -160 | 0.7 | 0 | 0 | 0 | 111.2 | S92 L96 H97 | S92-N94 PolarHBondContact O-N 3.11Å; N94-L96 PolarHBondContact O-N 2.82Å; N94-H97 PolarHBondContact O-N 3.23Å |
| 95 | P | 55.8 | Low | 54.4 | Low | 111 Ų | 111 | 128.4 Ų | 128.4 | 72% | 0.721 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -57.4 | -16.4 | -178.3 | -24.8 | 32.7 | 0 | 0 | 0 | 114.3 | H97 Q98 | P95-H97 PolarHBondContact O-N 2.82Å; P95-Q98 PolarHBondContact O-N 3.41Å |
| 96 | L | 54.5 | Low | 54.2 | Low | 150 Ų | 150 | 129 Ų | 129 | 79% | 0.785 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -61.4 | -15.8 | 173.7 | -129.2 | 76.4 | 0 | 0 | 0 | 114 | N94 | N94-L96 PolarHBondContact O-N 2.82Š|
| 97 | H | 50.9 | Low | 54 | Low | 145 Ų | 145 | 133.9 Ų | 133.9 | 67% | 0.671 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -107.6 | 13.6 | -177.3 | -71.7 | -94.1 | 0 | 0 | 0 | 114.7 | N94 P95 P99 | N94-H97 PolarHBondContact O-N 3.23Å; P95-H97 PolarHBondContact O-N 2.82Å; H97-P99 VanDerWaalsContact O-CD 3.26Å; H97-P99 WeakPolarHBondContact O-CD 3.42Å |
| 98 | Q | 52.9 | Low | 53.6 | Low | 161 Ų | 161 | 137.7 Ų | 137.7 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -69.2 | 120.6 | 164.1 | -77.6 | -158.6 | 22.3 | 0 | 0 | 108.7 | P95 Q100 | P95-Q98 PolarHBondContact O-N 3.41Å; Q98-Q100 PolarHBondContact O-N 3.07Å |
| 99 | P | 49.9 | Very low | 53.5 | Low | 92 Ų | 92 | 140.3 Ų | 140.3 | 60% | 0.597 | 69% | 0.693 | S | S | * | * | | | trans | -59.9 | 116.1 | 164.6 | 25.9 | -30.2 | 0 | 0 | 0 | 105.7 | H97 Q101 | H97-P99 VanDerWaalsContact O-CD 3.26Å; H97-P99 WeakPolarHBondContact O-CD 3.42Å; P99-Q101 HydrophobicContact CG-CG 4.41Å; P99-Q101 PolarHBondContact O-N 2.96Å |
| 100 | Q | 53.7 | Low | 53 | Low | 167 Ų | 167 | 144.6 Ų | 144.6 | 78% | 0.78 | 71% | 0.71 | S | S | * | * | | | trans | -63.9 | 87.8 | 172 | -154.6 | 157.4 | 44.3 | 0 | 0 | 106.2 | Q98 H102 | Q98-Q100 PolarHBondContact O-N 3.07Å; Q100-H102 VanDerWaalsContact C-N 3.33Å; Q100-H102 PolarHBondContact O-CD2 2.82Å; Q100-H102 VanDerWaalsContact O-CD2 3.28Å; Q100-H102 PolarHBondContact O-N 3.25Å |
| 101 | Q | 55.6 | Low | 52.5 | Low | 123 Ų | 123 | 147.4 Ų | 147.4 | 58% | 0.575 | 71% | 0.713 | S | S | * | * | | | trans | -71.2 | 94.6 | -178.4 | -74.1 | -76.9 | -41.2 | 0 | 0 | 106.6 | P99 Q106 | P99-Q101 HydrophobicContact CG-CG 4.41Å; P99-Q101 PolarHBondContact O-N 2.96Å; Q101-Q106 VanDerWaalsContact OE1-NE2 3.17Å |
| 102 | H | 51 | Low | 52.1 | Low | 130 Ų | 130 | 144.8 Ų | 144.8 | 60% | 0.602 | 72% | 0.717 | S | S | * | * | | | trans | -58.5 | 128.7 | 170.7 | -65.2 | -82.1 | 0 | 0 | 0 | 108.8 | Q100 W104 G105 | Q100-H102 VanDerWaalsContact C-N 3.33Å; Q100-H102 PolarHBondContact O-CD2 2.82Å; Q100-H102 VanDerWaalsContact O-CD2 3.28Å; Q100-H102 PolarHBondContact O-N 3.25Å; H102-W104 PolarHBondContact O-N 3.28Å; H102-G105 PolarHBondContact O-N 3.27Å |
| 103 | P | 52.5 | Low | 51.1 | Low | 110 Ų | 110 | 144.4 Ų | 144.4 | 71% | 0.714 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -17.9 | -177.5 | -25.7 | 32.8 | 0 | 0 | 0 | 114.7 | | |
| 104 | W | 51.4 | Low | 50.5 | Low | 243 Ų | 243 | 142.6 Ų | 142.6 | 92% | 0.92 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.6 | -16.7 | -176.5 | -65.4 | 77.5 | 0 | 0 | 0 | 114 | H102 | H102-W104 PolarHBondContact O-N 3.28Š|
| 105 | G | 51.4 | Low | 50.2 | Low | 50 Ų | 50 | 146.5 Ų | 146.5 | 52% | 0.515 | 74% | 0.74 | S | S | . | * | S | Bend | trans | -89.8 | -17.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.2 | H102 | H102-G105 PolarHBondContact O-N 3.27Š|
| 106 | Q | 52.5 | Low | 49.3 | Very low | 106 Ų | 106 | 146 Ų | 146 | 50% | 0.495 | 75% | 0.746 | S | S | . | * | G | 310 helix | trans | -78.1 | -20.5 | -174 | -74.7 | -71.2 | -30.2 | 0 | 0 | 113.5 | Q101 Q108 R109 | Q101-Q106 VanDerWaalsContact OE1-NE2 3.17Å; Q106-Q108 VanDerWaalsContact C-N 3.28Å; Q106-Q108 PolarHBondContact O-N 3.33Å; Q106-R109 PolarHBondContact O-N 2.75Å |
| 107 | R | 51.6 | Low | 48.6 | Very low | 234 Ų | 234 | 142.3 Ų | 142.3 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -73.3 | -13.9 | -178.5 | -78.1 | -125.5 | -94.4 | -89.4 | 1.2 | 114.9 | | |
| 108 | Q | 51.1 | Low | 48.3 | Very low | 182 Ų | 182 | 140.5 Ų | 140.5 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -95.6 | -13.8 | 178.1 | -165 | 172.1 | -15.7 | 0 | 0 | 113.2 | Q106 | Q106-Q108 VanDerWaalsContact C-N 3.28Å; Q106-Q108 PolarHBondContact O-N 3.33Å |
| 109 | R | 49.8 | Very low | 47.9 | Very low | 204 Ų | 204 | 140 Ų | 140 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 19.8 | -174 | -151.2 | -153.4 | -167.1 | -76.3 | -1 | 114 | Q106 | Q106-R109 PolarHBondContact O-N 2.75Š|
| 110 | Q | 48.2 | Very low | 47.8 | Very low | 178 Ų | 178 | 143.7 Ų | 143.7 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114 | 7.2 | -179.1 | -158.2 | 142.7 | 9.9 | 0 | 0 | 113.8 | | |
| 111 | E | 47 | Very low | 47.7 | Very low | 179 Ų | 179 | 141.4 Ų | 141.4 | 84% | 0.836 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -133.6 | 74.6 | 175.1 | -159.8 | 174.8 | -151.3 | 0 | 0 | 109.1 | | |
| 112 | V | 46.4 | Very low | 46.8 | Very low | 141 Ų | 141 | 144 Ų | 144 | 86% | 0.855 | 77% | 0.774 | S | S | * | * | S | Bend | trans | 174.5 | 120.3 | 152.1 | 149 | 0 | 0 | 0 | 0 | 108.3 | | |
| 113 | G | 39.6 | Very low | 46.9 | Very low | 67 Ų | 67 | 143 Ų | 143 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | trans | 85.9 | 72.6 | 148 | 0 | 0 | 0 | 0 | 0 | 117 | E115 | G113-E115 PolarHBondContact O-N 3.15Š|
| 114 | S | 43.8 | Very low | 46.6 | Very low | 122 Ų | 122 | 148.8 Ų | 148.8 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -70.4 | 79.4 | 146.6 | 46.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 115 | E | 44.5 | Very low | 46.2 | Very low | 182 Ų | 182 | 142 Ų | 142 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | trans | 167.6 | 109 | 147.4 | 57.1 | -157.8 | 163.4 | 0 | 0 | 110 | G113 | G113-E115 PolarHBondContact O-N 3.15Š|
| 116 | A | 37.8 | Very low | 45.7 | Very low | 101 Ų | 101 | 144.3 Ų | 144.3 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | 169.2 | 110.3 | 137.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 117 | G | 39.3 | Very low | 45.5 | Very low | 72 Ų | 72 | 147.4 Ų | 147.4 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | | | trans | -58 | 160 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L119 | G117-L119 PolarHBondContact O-N 3.39Š|
| 118 | S | 44.2 | Very low | 45.4 | Very low | 107 Ų | 107 | 141 Ų | 141 | 75% | 0.748 | 81% | 0.805 | S | S | * | * | | | trans | -27.8 | 130.1 | 141.4 | -160.9 | 0 | 0 | 0 | 0 | 109.8 | | |
| 119 | L | 45.3 | Very low | 45.2 | Very low | 150 Ų | 150 | 140.7 Ų | 140.7 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | | -176 | 100.9 | 84.6 | -77.2 | 163.2 | 0 | 0 | 0 | 109.8 | G117 | G117-L119 PolarHBondContact O-N 3.39Š|
| 120 | L | 47.1 | Very low | 45.6 | Very low | 169 Ų | 169 | 138.7 Ų | 138.7 | 89% | 0.885 | 81% | 0.807 | S | S | * | * | | | trans | 43.3 | -173.9 | 155.8 | -54.7 | 174.6 | 0 | 0 | 0 | 119.4 | | |
| 121 | P | 52.1 | Low | 45.7 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | | -109.8 | 155.9 | -94.9 | 36.7 | -21.4 | 0 | 0 | 0 | 114.4 | | |
| 122 | Q | 36.5 | Very low | 45.8 | Very low | 177 Ų | 177 | 131.3 Ų | 131.3 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | | | trans | -159.3 | 129.3 | 155.2 | -127.4 | -145.4 | 76.4 | 0 | 0 | 115.2 | | |
| 123 | P | 52.7 | Low | 46.3 | Very low | 111 Ų | 111 | 133 Ų | 133 | 72% | 0.721 | 81% | 0.811 | S | S | * | * | | | trans | -103.5 | 134.2 | 162.4 | 34 | -22.7 | 0 | 0 | 0 | 111.8 | | |
| 124 | R | 45.9 | Very low | 46.9 | Very low | 231 Ų | 231 | 137 Ų | 137 | 87% | 0.872 | 82% | 0.816 | S | S | * | * | | | trans | 104.6 | 121.9 | 160.8 | -67.9 | -172.6 | 164.7 | 124.8 | -2.4 | 119.8 | | |
| 125 | A | 44.4 | Very low | 47.4 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | 75 | 114.6 | 135.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 126 | A | 39.7 | Very low | 48.1 | Very low | 100 Ų | 100 | 138 Ų | 138 | 83% | 0.826 | 81% | 0.806 | S | S | * | * | | | | 150.3 | 118.8 | 116.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 127 | L | 48.2 | Very low | 48.6 | Very low | 170 Ų | 170 | 144.1 Ų | 144.1 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | | | trans | -64 | 166.1 | 150.5 | -78.1 | 160.1 | 0 | 0 | 0 | 108.8 | | |
| 128 | P | 49.6 | Very low | 49.2 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | | | cis | -142.4 | 177.9 | 23.5 | 38.5 | -17.5 | 0 | 0 | 0 | 115 | | |
| 129 | Q | 46.6 | Very low | 49.2 | Very low | 175 Ų | 175 | 151 Ų | 151 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | | 177.2 | 123.3 | 128.5 | -86.7 | -42.9 | -32.4 | 0 | 0 | 111.5 | | |
| 130 | L | 59.8 | Low | 49.7 | Very low | 162 Ų | 162 | 152.1 Ų | 152.1 | 85% | 0.848 | 81% | 0.806 | S | S | * | * | | | trans | -88.4 | 128.5 | 167.7 | -69.4 | 164.4 | 0 | 0 | 0 | 108.6 | | |
| 131 | S | 48.8 | Very low | 50.2 | Low | 128 Ų | 128 | 148.2 Ų | 148.2 | 90% | 0.895 | 79% | 0.793 | S | S | * | * | | | trans | -176.3 | 128.7 | 162.7 | -79.2 | 0 | 0 | 0 | 0 | 107.8 | | |
| 132 | G | 49.9 | Very low | 50.3 | Low | 75 Ų | 75 | 147.9 Ų | 147.9 | 77% | 0.773 | 79% | 0.788 | S | S | * | * | | | cis | -163.9 | -176.3 | 11.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 133 | L | 56.7 | Low | 51.1 | Low | 176 Ų | 176 | 150.1 Ų | 150.1 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | | | trans | -84.3 | 164.4 | -154.8 | -62.8 | 153.2 | 0 | 0 | 0 | 114.4 | | |
| 134 | D | 52.1 | Low | 51 | Low | 151 Ų | 151 | 155.2 Ų | 155.2 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | | | trans | 109.6 | 150.7 | 150.2 | -128.2 | 33.2 | 0 | 0 | 0 | 119.3 | | |
| 135 | P | 54.7 | Low | 51.7 | Low | 95 Ų | 95 | 150.2 Ų | 150.2 | 62% | 0.617 | 79% | 0.792 | S | S | * | * | | | | -139.9 | 64.7 | -83.1 | 42.3 | -24.7 | 0 | 0 | 0 | 111.6 | | |
| 136 | R | 58.2 | Low | 51.7 | Low | 229 Ų | 229 | 150.4 Ų | 150.4 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | | | trans | -157.1 | 43.9 | -166.9 | -127.3 | 172.5 | 175.8 | 177.1 | -1.1 | 120.9 | | |
| 137 | R | 49.3 | Very low | 52.3 | Low | 231 Ų | 231 | 152 Ų | 152 | 87% | 0.872 | 78% | 0.778 | S | S | * | * | | | trans | -146 | 104.8 | 151.7 | -82.9 | -152.1 | -178.5 | -108.4 | 2.2 | 112.4 | Y139 | R137-Y139 PolarHBondContact O-N 3.41Š|
| 138 | D | 52.3 | Low | 52.6 | Low | 124 Ų | 124 | 151 Ų | 151 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | | | trans | -48.6 | 116.2 | 165.3 | -48.8 | -79.3 | 0 | 0 | 0 | 111.2 | | |
| 139 | Y | 42.3 | Very low | 52.8 | Low | 198 Ų | 198 | 153.4 Ų | 153.4 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | | | trans | -121.2 | 99.3 | 150.5 | -90.5 | -87 | 0 | 0 | 0 | 106.5 | R137 S141 | R137-Y139 PolarHBondContact O-N 3.41Å; Y139-S141 PolarHBondContact O-N 3.39Å |
| 140 | H | 55.8 | Low | 52.6 | Low | 174 Ų | 174 | 154.3 Ų | 154.3 | 81% | 0.806 | 78% | 0.783 | S | S | * | * | | | trans | -63.4 | 42.7 | 166.1 | -53.9 | -64.7 | 0 | 0 | 0 | 111.9 | | |
| 141 | S | 58 | Low | 51.7 | Low | 87 Ų | 87 | 152.2 Ų | 152.2 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | | | trans | -82.6 | 120.9 | 167.6 | -62.6 | 0 | 0 | 0 | 0 | 106.4 | Y139 | Y139-S141 PolarHBondContact O-N 3.39Š|
| 142 | V | 54.3 | Low | 51.5 | Low | 112 Ų | 112 | 150 Ų | 150 | 68% | 0.679 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 105.6 | 85.5 | 165.1 | -168.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 143 | R | 53.7 | Low | 51.4 | Low | 224 Ų | 224 | 154.4 Ų | 154.4 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | | | trans | 101.3 | 100.1 | 141.4 | -47.9 | -122.4 | -143.5 | -91.5 | -0 | 117.2 | | |
| 144 | R | 51.3 | Low | 50.9 | Low | 218 Ų | 218 | 154.5 Ų | 154.5 | 82% | 0.823 | 77% | 0.767 | S | S | * | * | | | | -167.8 | 127.8 | 117.9 | -111.4 | 179 | -171.2 | -178.3 | 1.6 | 112.8 | D146 | R144-D146 VanDerWaalsContact CB-OD1 3.25Å; R144-D146 WeakPolarHBondContact CB-OD1 3.39Å; R144-D146 WeakPolarHBondContact CG-OD1 3.25Å |
| 145 | P | 59.6 | Low | 50.3 | Low | 127 Ų | 127 | 150.5 Ų | 150.5 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | | | trans | -95.6 | 100 | 168.5 | 34.3 | -22.1 | 0 | 0 | 0 | 109 | | |
| 146 | D | 45.3 | Very low | 49.9 | Very low | 103 Ų | 103 | 154.6 Ų | 154.6 | 55% | 0.551 | 78% | 0.777 | S | S | * | * | | | trans | -150.2 | 93 | 168.8 | 23.4 | -62.7 | 0 | 0 | 0 | 105.4 | R144 L148 | R144-D146 VanDerWaalsContact CB-OD1 3.25Å; R144-D146 WeakPolarHBondContact CB-OD1 3.39Å; R144-D146 WeakPolarHBondContact CG-OD1 3.25Å; D146-L148 PolarHBondContact O-N 3.35Å |
| 147 | V | 52.4 | Low | 49.3 | Very low | 134 Ų | 134 | 151.7 Ų | 151.7 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | | | | 33.1 | 88.8 | 103.3 | 179.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 148 | L | 54 | Low | 49.1 | Very low | 149 Ų | 149 | 144.9 Ų | 144.9 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | trans | 155.2 | 133.8 | 147.5 | -81.6 | 158.1 | 0 | 0 | 0 | 110.4 | D146 | D146-L148 PolarHBondContact O-N 3.35Š|
| 149 | L | 53.6 | Low | 48.7 | Very low | 150 Ų | 150 | 142.7 Ų | 142.7 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | | | trans | 81 | 79.2 | 166.8 | -76.9 | 72.3 | 0 | 0 | 0 | 118.4 | | |
| 150 | H | 42.6 | Very low | 49.1 | Very low | 193 Ų | 193 | 142.8 Ų | 142.8 | 89% | 0.894 | 79% | 0.789 | S | S | * | * | | | trans | -130.5 | 84.8 | 144.2 | -69 | 110.8 | 0 | 0 | 0 | 110.3 | | |
| 151 | S | 40.1 | Very low | 48.4 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | | | trans | -157.2 | 81.3 | 147.3 | -72 | 0 | 0 | 0 | 0 | 103.6 | | |
| 152 | A | 46.2 | Very low | 47.8 | Very low | 81 Ų | 81 | 140.3 Ų | 140.3 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | | | | 78.2 | 139 | 98.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 153 | H | 47.7 | Very low | 47.6 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | | | trans | 87.4 | 78.2 | 172.1 | -55.2 | -72.9 | 0 | 0 | 0 | 117.1 | | |
| 154 | H | 45.7 | Very low | 47.6 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | | | trans | -52.6 | 129.1 | 138.5 | 44.4 | -83.7 | 0 | 0 | 0 | 110.9 | | |
| 155 | G | 38.3 | Very low | 47.8 | Very low | 66 Ų | 66 | 131.9 Ų | 131.9 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | | | trans | 94.8 | 94.1 | 132.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 156 | L | 48.1 | Very low | 47.5 | Very low | 181 Ų | 181 | 132.4 Ų | 132.4 | 95% | 0.948 | 78% | 0.783 | S | S | * | * | | | trans | 69.8 | 101.3 | 136.5 | -45.5 | 178.3 | 0 | 0 | 0 | 118.9 | | |
| 157 | D | 43.9 | Very low | 47.5 | Very low | 168 Ų | 168 | 135.7 Ų | 135.7 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | | | | -167.5 | 146 | 114.5 | -167.2 | 32.6 | 0 | 0 | 0 | 110.9 | | |
| 158 | A | 46.6 | Very low | 47 | Very low | 89 Ų | 89 | 132.3 Ų | 132.3 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | | | trans | -97.2 | 142.5 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 159 | G | 43.9 | Very low | 46.5 | Very low | 78 Ų | 78 | 134.1 Ų | 134.1 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | 149.2 | 116.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 160 | M | 50.1 | Low | 45.9 | Very low | 200 Ų | 200 | 130.4 Ų | 130.4 | 99% | 0.985 | 79% | 0.794 | S | S | * | * | | | trans | -47 | 140.3 | 165.6 | -104.6 | 78.6 | 97.2 | 0 | 0 | 113.6 | | |
| 161 | G | 41.1 | Very low | 46.1 | Very low | 52 Ų | 52 | 129.5 Ų | 129.5 | 54% | 0.536 | 79% | 0.789 | S | S | . | * | | | trans | 172.7 | 113.1 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 162 | D | 46.2 | Very low | 46.5 | Very low | 156 Ų | 156 | 129 Ų | 129 | 83% | 0.834 | 78% | 0.784 | S | S | * | * | | | | 76.4 | 87.7 | 107.3 | 64.2 | 3.2 | 0 | 0 | 0 | 114.9 | | |
| 163 | S | 49.1 | Very low | 46.5 | Very low | 101 Ų | 101 | 129.1 Ų | 129.1 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | | | | 57.2 | 110.3 | 87.8 | -163.1 | 0 | 0 | 0 | 0 | 114.6 | | |
| 164 | L | 54.8 | Low | 46.5 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | | | trans | 60.2 | 104.5 | 148.2 | -57.9 | 172.9 | 0 | 0 | 0 | 118.6 | | |
| 165 | S | 54.4 | Low | 46.7 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | | | trans | -155.6 | 85.7 | 147.8 | -70.6 | 0 | 0 | 0 | 0 | 106.4 | | |
| 166 | L | 52.4 | Low | 47.1 | Very low | 138 Ų | 138 | 131 Ų | 131 | 72% | 0.723 | 79% | 0.791 | S | S | * | * | | | | 44.8 | 130.5 | 79.8 | -159.8 | 62.9 | 0 | 0 | 0 | 113.6 | | |
| 167 | H | 46.2 | Very low | 47.4 | Very low | 173 Ų | 173 | 129.3 Ų | 129.3 | 80% | 0.801 | 79% | 0.788 | S | S | * | * | | | trans | 93.7 | 121.4 | 168.5 | -47.4 | -73.5 | 0 | 0 | 0 | 116.1 | | |
| 168 | G | 42.2 | Very low | 47.6 | Very low | 62 Ų | 62 | 129.7 Ų | 129.7 | 64% | 0.639 | 78% | 0.784 | S | S | * | * | | | cis | 172.4 | 175.6 | 2.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 169 | L | 44.2 | Very low | 47.7 | Very low | 187 Ų | 187 | 131.1 Ų | 131.1 | 98% | 0.979 | 79% | 0.789 | S | S | * | * | | | trans | 75 | 117.4 | 152.8 | -53.2 | 159.2 | 0 | 0 | 0 | 115.9 | | |
| 170 | G | 40.4 | Very low | 48 | Very low | 72 Ų | 72 | 133.3 Ų | 133.3 | 74% | 0.742 | 79% | 0.786 | S | S | * | * | | | cis | -176.9 | 160.9 | 6.8 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 171 | H | 46 | Very low | 48.3 | Very low | 174 Ų | 174 | 132 Ų | 132 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | | | trans | 58.2 | 117.7 | 155.1 | -98.8 | -82.4 | 0 | 0 | 0 | 123.1 | | |
| 172 | P | 49 | Very low | 48.8 | Very low | 108 Ų | 108 | 137.6 Ų | 137.6 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 128.2 | 157.6 | 32.3 | -28.5 | 0 | 0 | 0 | 109.5 | M174 | P172-M174 PolarHBondContact O-N 3.38Š|
| 173 | G | 45.3 | Very low | 48.9 | Very low | 83 Ų | 83 | 135 Ų | 135 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 119.5 | 178 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 174 | M | 49 | Very low | 49.2 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 66% | 0.655 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 166.6 | 169.9 | -63.9 | 163 | 59 | 0 | 0 | 108.9 | P172 | P172-M174 PolarHBondContact O-N 3.38Š|
| 175 | E | 49.3 | Very low | 49.3 | Very low | 162 Ų | 162 | 137.4 Ų | 137.4 | 76% | 0.757 | 80% | 0.801 | S | S | * | * | | | trans | 60.9 | 91 | 158.4 | 73.5 | -113.9 | 134 | 0 | 0 | 120.7 | | |
| 176 | D | 47.7 | Very low | 49.4 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 85% | 0.845 | 80% | 0.801 | S | S | * | * | | | trans | -146.7 | 68.3 | 140.2 | -127.8 | -59.5 | 0 | 0 | 0 | 109.8 | | |
| 177 | V | 53.9 | Low | 49.2 | Very low | 146 Ų | 146 | 134.3 Ų | 134.3 | 89% | 0.885 | 80% | 0.803 | S | S | * | * | | | trans | -118.6 | 68.7 | 164.6 | -174 | 0 | 0 | 0 | 0 | 106.3 | | |
| 178 | Q | 47.6 | Very low | 49.6 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | | | trans | -140.3 | 137.1 | 165.7 | -75.9 | -163.3 | -24.7 | 0 | 0 | 111.3 | | |
| 179 | S | 48.1 | Very low | 50.2 | Low | 120 Ų | 120 | 139.1 Ų | 139.1 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | | | trans | 83.6 | 65.4 | 167.3 | -57.5 | 0 | 0 | 0 | 0 | 116.9 | | |
| 180 | V | 51.5 | Low | 50.7 | Low | 123 Ų | 123 | 137.6 Ų | 137.6 | 75% | 0.745 | 81% | 0.808 | S | S | * | * | | | trans | -58.4 | 136.7 | 142.1 | -153.3 | 0 | 0 | 0 | 0 | 109.1 | | |
| 181 | E | 55.1 | Low | 51.4 | Low | 172 Ų | 172 | 139 Ų | 139 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 91.9 | 6.5 | 135.7 | -114.4 | 164 | 134.5 | 0 | 0 | 126.1 | | |
| 182 | D | 52.2 | Low | 51.9 | Low | 171 Ų | 171 | 138.9 Ų | 138.9 | 91% | 0.914 | 80% | 0.803 | S | S | * | * | | | trans | -127.4 | 32.3 | -172.6 | -115.9 | -26.8 | 0 | 0 | 0 | 119.2 | | |
| 183 | A | 48.1 | Very low | 52.3 | Low | 100 Ų | 100 | 141.3 Ų | 141.3 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -127.6 | 19.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 184 | N | 55.1 | Low | 53 | Low | 148 Ų | 148 | 143.1 Ų | 143.1 | 79% | 0.791 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -89.6 | 22.5 | 176.4 | -169.6 | 27.1 | 0 | 0 | 0 | 113.9 | | |
| 185 | N | 57.1 | Low | 53.5 | Low | 159 Ų | 159 | 143.1 Ų | 143.1 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -149.4 | 32.3 | -170.5 | -105.6 | -38.7 | 0 | 0 | 0 | 118.6 | | |
| 186 | S | 56.3 | Low | 54.3 | Low | 121 Ų | 121 | 143.3 Ų | 143.3 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -159 | 76.4 | 171.2 | 52.8 | 0 | 0 | 0 | 0 | 113.6 | | |
| 187 | G | 48.3 | Very low | 54.2 | Low | 73 Ų | 73 | 145.3 Ų | 145.3 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | | | trans | 178 | -7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117 | N189 | G187-N189 PolarHBondContact O-N 3.24Š|
| 188 | M | 55.3 | Low | 53.7 | Low | 191 Ų | 191 | 151.5 Ų | 151.5 | 94% | 0.941 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -65 | 122.9 | 164.3 | -142.6 | 88.4 | 86.6 | 0 | 0 | 107.6 | | |
| 189 | N | 54.1 | Low | 54 | Low | 145 Ų | 145 | 150.3 Ų | 150.3 | 78% | 0.775 | 83% | 0.833 | S | S | * | * | | | trans | 91.1 | 70.3 | 167.1 | -144.7 | -68.8 | 0 | 0 | 0 | 117.9 | G187 | G187-N189 PolarHBondContact O-N 3.24Š|
| 190 | L | 55.4 | Low | 54.3 | Low | 156 Ų | 156 | 151.9 Ų | 151.9 | 82% | 0.817 | 83% | 0.833 | S | S | * | * | | | trans | -141.1 | 87.1 | 149.7 | -155.1 | 80.2 | 0 | 0 | 0 | 111.8 | | |
| 191 | L | 55.1 | Low | 54.5 | Low | 101 Ų | 101 | 153.5 Ų | 153.5 | 53% | 0.529 | 84% | 0.838 | S | S | . | * | | | trans | 58.5 | 99.5 | 143.4 | -76.9 | 63.1 | 0 | 0 | 0 | 116.6 | Q193 | L191-Q193 HydrophobicContact CB-CB 4.3Å; L191-Q193 HydrophobicContact CB-CG 4.47Å; L191-Q193 HydrophobicContact CD2-CG 4.47Å; L191-Q193 HydrophobicContact CG-CG 4.48Å; L191-Q193 PolarHBondContact O-N 3.38Å; L191-Q193 VanDerWaalsContact O-N 3.14Å |
| 192 | D | 55.9 | Low | 54.5 | Low | 171 Ų | 171 | 152.4 Ų | 152.4 | 91% | 0.914 | 84% | 0.84 | S | S | * | * | | | | 48.5 | 17.4 | 60.7 | -146.9 | 3.2 | 0 | 0 | 0 | 115.8 | | |
| 193 | Q | 57.1 | Low | 54.6 | Low | 159 Ų | 159 | 151.3 Ų | 151.3 | 74% | 0.743 | 84% | 0.835 | S | S | * | * | | | trans | -149 | 50.1 | -178.8 | -75 | -155 | 90.3 | 0 | 0 | 117.5 | L191 | L191-Q193 HydrophobicContact CB-CB 4.3Å; L191-Q193 HydrophobicContact CB-CG 4.47Å; L191-Q193 HydrophobicContact CD2-CG 4.47Å; L191-Q193 HydrophobicContact CG-CG 4.48Å; L191-Q193 PolarHBondContact O-N 3.38Å; L191-Q193 VanDerWaalsContact O-N 3.14Å |
| 194 | S | 60.4 | Low | 55 | Low | 121 Ų | 121 | 154.7 Ų | 154.7 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | | | trans | -153.8 | 64 | 155.3 | 69.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 195 | V | 60.8 | Low | 55 | Low | 134 Ų | 134 | 155.1 Ų | 155.1 | 81% | 0.812 | 84% | 0.839 | S | S | * | * | | | trans | -105 | 111.7 | 147.7 | -175.6 | 0 | 0 | 0 | 0 | 106.9 | | |
| 196 | I | 64.5 | Low | 54.9 | Low | 166 Ų | 166 | 154.8 Ų | 154.8 | 85% | 0.851 | 84% | 0.838 | S | S | * | * | | | trans | -151.5 | 119 | 141.7 | -100.2 | 144.8 | 0 | 0 | 0 | 108.6 | | |
| 197 | K | 45.8 | Very low | 54.7 | Low | 200 Ų | 200 | 157.7 Ų | 157.7 | 87% | 0.87 | 84% | 0.837 | S | S | * | * | | | trans | -65.8 | 132.7 | 162.8 | -74.9 | 167.7 | 159.7 | 172.3 | 0 | 109.5 | | |
| 198 | K | 44.2 | Very low | 55.3 | Low | 275 Ų | 275 | 165.4 Ų | 165.4 | 100% | 1.196 | 85% | 0.845 | S | S | * | * | | | | -177.6 | 0 | 113.6 | -169.5 | 168.7 | 76.2 | 177.5 | 0 | 109.6 | | |