| 1 | R | 60.7 | Low | 77 | Confident | 272 Ų | 272 | 109.4 Ų | 109.4 | 100% | 1.026 | 53% | 0.527 | S | S | * | . | | | | 0 | -39 | 0 | -71.1 | -179.4 | 179 | -112.5 | 3.2 | 114.3 | R3 R4 | R1-R3 PolarHBondContact O-N 3.45Å; R1-R4 PolarHBondContact O-N 3.26Å |
| 2 | P | 67.1 | Low | 77.6 | Confident | 95 Ų | 95 | 113 Ų | 113 | 62% | 0.617 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.5 | -33.9 | -172 | 20.3 | -30.1 | 0 | 0 | 0 | 115.5 | R4 C5 E6 | P2-R4 PolarHBondContact O-N 3.2Å; P2-C5 PolarHBondContact O-N 3.02Å; P2-C5 VanDerWaalsContact O-N 3.12Å; P2-E6 PolarHBondContact O-N 3.12Å |
| 3 | R | 77.6 | Confident | 78.4 | Confident | 200 Ų | 200 | 110.4 Ų | 110.4 | 76% | 0.755 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -56 | -24.6 | 177.6 | -92 | -163.6 | -177.7 | -154.7 | 3.2 | 115.7 | R1 L7 | R1-R3 PolarHBondContact O-N 3.45Å; R3-L7 WeakPolarHBondContact O-CB 3.49Å; R3-L7 WeakPolarHBondContact O-CD1 3.47Å; R3-L7 PolarHBondContact O-N 2.96Å |
| 4 | R | 76.1 | Confident | 79.3 | Confident | 84 Ų | 84 | 107.9 Ų | 107.9 | 32% | 0.317 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -77.3 | -30.2 | -179 | -79.3 | -177.9 | 62.6 | -149.3 | -22 | 112.7 | R1 P2 A8 E15 I18 F22 | R1-R4 PolarHBondContact O-N 3.26Å; P2-R4 PolarHBondContact O-N 3.2Å; R4-A8 VanDerWaalsContact O-CB 3.32Å; R4-A8 WeakPolarHBondContact O-CB 3.48Å; R4-A8 PolarHBondContact O-N 3.01Å; R4-E15 PolarHBondContact NH2-O 3.35Å; R4-I18 HydrophobicContact CB-CG2 4.29Å; R4-I18 HydrophobicContact CG-CG2 4.05Å; R4-F22 HydrophobicContact CG-CD2 4.48Å; R4-F22 HydrophobicContact CG-CE2 4.26Å |
| 5 | C | 73.1 | Confident | 80 | Confident | 56 Ų | 56 | 107.8 Ų | 107.8 | 38% | 0.378 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -73.3 | -41.3 | 176.5 | -54.8 | 0 | 0 | 0 | 0 | 110.2 | P2 L7 A8 A9 E15 | P2-C5 PolarHBondContact O-N 3.02Å; P2-C5 VanDerWaalsContact O-N 3.12Å; C5-L7 PolarHBondContact O-N 3.5Å; C5-A8 WeakPolarHBondContact O-CB 3.45Å; C5-A8 PolarHBondContact O-N 3.32Å; C5-A9 PolarHBondContact O-N 3.32Å; C5-E15 PolarHBondContact SG-OE1 3.11Å |
| 6 | E | 78.8 | Confident | 80.6 | Confident | 105 Ų | 105 | 105.9 Ų | 105.9 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -60.6 | -45.6 | 174 | -68 | 164.6 | -169.8 | 0 | 0 | 111.8 | P2 A9 Q10 | P2-E6 PolarHBondContact O-N 3.12Å; E6-A9 PolarHBondContact O-N 3.36Å; E6-Q10 WeakPolarHBondContact O-CB 3.22Å; E6-Q10 VanDerWaalsContact O-CG 3.28Å; E6-Q10 WeakPolarHBondContact O-CG 3.36Å; E6-Q10 PolarHBondContact O-N 3.35Å |
| 7 | L | 80.9 | Confident | 81.3 | Confident | 57 Ų | 57 | 103.2 Ų | 103.2 | 30% | 0.298 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 175.5 | -85.2 | 162.4 | 0 | 0 | 0 | 112.7 | R3 C5 L11 I18 F22 | R3-L7 WeakPolarHBondContact O-CB 3.49Å; R3-L7 WeakPolarHBondContact O-CD1 3.47Å; R3-L7 PolarHBondContact O-N 2.96Å; C5-L7 PolarHBondContact O-N 3.5Å; L7-L11 HydrophobicContact CD2-CD1 4.26Å; L7-L11 VanDerWaalsContact O-CB 3.27Å; L7-L11 WeakPolarHBondContact O-CB 3.4Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 3.35Å; L7-I18 HydrophobicContact CB-CD1 4.36Å; L7-F22 HydrophobicContact CD1-CE2 4.15Å; L7-F22 HydrophobicContact CD1-CZ 3.96Å |
| 8 | A | 84.1 | Confident | 81.8 | Confident | 10 Ų | 10 | 97.8 Ų | 97.8 | 8% | 0.083 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R4 C5 N12 L13 E15 I18 | R4-A8 VanDerWaalsContact O-CB 3.32Å; R4-A8 WeakPolarHBondContact O-CB 3.48Å; R4-A8 PolarHBondContact O-N 3.01Å; C5-A8 WeakPolarHBondContact O-CB 3.45Å; C5-A8 PolarHBondContact O-N 3.32Å; A8-N12 WeakPolarHBondContact O-CA 3.27Å; A8-N12 PolarHBondContact O-N 3.27Å; A8-L13 WeakPolarHBondContact CA-O 3.28Å; A8-L13 WeakPolarHBondContact CB-O 3.32Å; A8-L13 PolarHBondContact O-N 3.47Å; A8-E15 HydrophobicContact CB-CG 3.92Å; A8-I18 HydrophobicContact CB-CG1 4Å |
| 9 | A | 77.9 | Confident | 82.3 | Confident | 73 Ų | 73 | 98.6 Ų | 98.6 | 60% | 0.603 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.7 | -44.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | C5 E6 L11 N12 | C5-A9 PolarHBondContact O-N 3.32Å; E6-A9 PolarHBondContact O-N 3.36Å; A9-L11 VanDerWaalsContact C-N 3.35Å; A9-L11 PolarHBondContact O-N 3.02Å; A9-N12 PolarHBondContact O-N 2.94Å |
| 10 | Q | 87.1 | Confident | 83 | Confident | 151 Ų | 151 | 97.8 Ų | 97.8 | 71% | 0.706 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.8 | -37.5 | 178.3 | -72.1 | 172.2 | 21.3 | 0 | 0 | 112.7 | E6 | E6-Q10 WeakPolarHBondContact O-CB 3.22Å; E6-Q10 VanDerWaalsContact O-CG 3.28Å; E6-Q10 WeakPolarHBondContact O-CG 3.36Å; E6-Q10 PolarHBondContact O-N 3.35Å |
| 11 | L | 83.9 | Confident | 83.5 | Confident | 100 Ų | 100 | 100.2 Ų | 100.2 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -91.2 | -2.1 | -179 | -63 | 170.6 | 0 | 0 | 0 | 113 | L7 A9 L13 I18 | L7-L11 HydrophobicContact CD2-CD1 4.26Å; L7-L11 VanDerWaalsContact O-CB 3.27Å; L7-L11 WeakPolarHBondContact O-CB 3.4Å; L7-L11 WeakPolarHBondContact O-CG 3.45Å; L7-L11 PolarHBondContact O-N 3.35Å; A9-L11 VanDerWaalsContact C-N 3.35Å; A9-L11 PolarHBondContact O-N 3.02Å; L11-L13 HydrophobicContact CB-CB 4.44Å; L11-L13 HydrophobicContact CB-CD1 4.05Å; L11-L13 HydrophobicContact CB-CG 4.26Å; L11-L13 WeakPolarHBondContact O-CG 3.33Å; L11-L13 PolarHBondContact O-N 3.02Å; L11-I18 HydrophobicContact CD1-CD1 3.85Å |
| 12 | N | 83.7 | Confident | 85 | Confident | 153 Ų | 153 | 90.4 Ų | 90.4 | 82% | 0.818 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 36.2 | -174.3 | -125.5 | -57.6 | 0 | 0 | 0 | 113.1 | A8 A9 | A8-N12 WeakPolarHBondContact O-CA 3.27Å; A8-N12 PolarHBondContact O-N 3.27Å; A9-N12 PolarHBondContact O-N 2.94Å |
| 13 | L | 87.9 | Confident | 86.2 | Confident | 79 Ų | 79 | 91.6 Ų | 91.6 | 41% | 0.414 | 46% | 0.463 | S | S | . | . | | | trans | -116.3 | 142.4 | -178.6 | -72.1 | 171 | 0 | 0 | 0 | 109.8 | A8 L11 T17 I18 | A8-L13 WeakPolarHBondContact CA-O 3.28Å; A8-L13 WeakPolarHBondContact CB-O 3.32Å; A8-L13 PolarHBondContact O-N 3.47Å; L11-L13 HydrophobicContact CB-CB 4.44Å; L11-L13 HydrophobicContact CB-CD1 4.05Å; L11-L13 HydrophobicContact CB-CG 4.26Å; L11-L13 WeakPolarHBondContact O-CG 3.33Å; L11-L13 PolarHBondContact O-N 3.02Å; L13-T17 HydrophobicContact CD1-CG2 4.5Å; L13-T17 HydrophobicContact CD2-CG2 4.49Å; L13-I18 HydrophobicContact CB-CD1 4.45Å |
| 14 | P | 91.5 | Very high | 87 | Confident | 75 Ų | 75 | 87.4 Ų | 87.4 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | | | trans | -61.5 | 147.1 | 177.8 | 12.5 | -16 | 0 | 0 | 0 | 111.8 | S16 T17 I18 | P14-S16 PolarHBondContact O-N 3.19Å; P14-T17 WeakPolarHBondContact O-CA 3.49Å; P14-T17 VanDerWaalsContact O-CB 3.31Å; P14-T17 WeakPolarHBondContact O-CB 3.37Å; P14-T17 PolarHBondContact O-N 2.93Å; P14-I18 PolarHBondContact O-N 3.16Å |
| 15 | E | 89.1 | Confident | 87.9 | Confident | 107 Ų | 107 | 90.1 Ų | 90.1 | 50% | 0.5 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -58 | -27.7 | -177.7 | -63.1 | -175.7 | 175.8 | 0 | 0 | 113.5 | R4 C5 A8 T17 I18 K19 | R4-E15 PolarHBondContact NH2-O 3.35Å; C5-E15 PolarHBondContact SG-OE1 3.11Å; A8-E15 HydrophobicContact CB-CG 3.92Å; E15-T17 VanDerWaalsContact C-N 3.33Å; E15-I18 PolarHBondContact O-N 3.25Å; E15-K19 WeakPolarHBondContact O-CA 3.16Å; E15-K19 WeakPolarHBondContact O-CB 3.42Å; E15-K19 PolarHBondContact O-N 3.48Å |
| 16 | S | 90.7 | Very high | 88.8 | Confident | 77 Ų | 77 | 96.2 Ų | 96.2 | 54% | 0.538 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.4 | -29.9 | 174.5 | 61 | 0 | 0 | 0 | 0 | 112.8 | P14 K19 V20 | P14-S16 PolarHBondContact O-N 3.19Å; S16-K19 WeakPolarHBondContact O-CA 3.5Å; S16-K19 WeakPolarHBondContact O-CB 3.3Å; S16-V20 PolarHBondContact O-N 3.34Å |
| 17 | T | 91.5 | Very high | 89.5 | Confident | 60 Ų | 60 | 94.9 Ų | 94.9 | 37% | 0.368 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -75.2 | -44.4 | 173.1 | -57.7 | 0 | 0 | 0 | 0 | 110.2 | L13 P14 E15 K19 V20 W21 | L13-T17 HydrophobicContact CD1-CG2 4.5Å; L13-T17 HydrophobicContact CD2-CG2 4.49Å; P14-T17 WeakPolarHBondContact O-CA 3.49Å; P14-T17 VanDerWaalsContact O-CB 3.31Å; P14-T17 WeakPolarHBondContact O-CB 3.37Å; P14-T17 PolarHBondContact O-N 2.93Å; E15-T17 VanDerWaalsContact C-N 3.33Å; T17-K19 CarbonylContact O-C 3.59Å; T17-V20 PolarHBondContact O-N 3.35Å; T17-W21 VanDerWaalsContact O-CB 3.3Å; T17-W21 WeakPolarHBondContact O-CB 3.23Å; T17-W21 PolarHBondContact O-N 3.39Å |
| 18 | I | 90.9 | Very high | 90 | Very high | 7 Ų | 7 | 97.7 Ų | 97.7 | 4% | 0.036 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -59.7 | -52 | 176.2 | -59.7 | -72.9 | 0 | 0 | 0 | 111.1 | R4 L7 A8 L11 L13 P14 E15 W21 F22 | R4-I18 HydrophobicContact CB-CG2 4.29Å; R4-I18 HydrophobicContact CG-CG2 4.05Å; L7-I18 HydrophobicContact CB-CD1 4.36Å; A8-I18 HydrophobicContact CB-CG1 4Å; L11-I18 HydrophobicContact CD1-CD1 3.85Å; L13-I18 HydrophobicContact CB-CD1 4.45Å; P14-I18 PolarHBondContact O-N 3.16Å; E15-I18 PolarHBondContact O-N 3.25Å; I18-W21 PolarHBondContact O-N 2.95Å; I18-F22 HydrophobicContact CG2-CD2 3.68Å; I18-F22 HydrophobicContact CG2-CE2 3.49Å; I18-F22 VanDerWaalsContact CG2-CE2 3.49Å; I18-F22 VanDerWaalsContact O-CD2 3.23Å; I18-F22 WeakPolarHBondContact O-CD2 3.47Å; I18-F22 PolarHBondContact O-N 2.92Å |
| 19 | K | 91.5 | Very high | 90.2 | Very high | 112 Ų | 112 | 100.2 Ų | 100.2 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | | 29.2 | -122.2 | 120.6 | -101.3 | 177.4 | 68.3 | 179.9 | 0 | 121.8 | E15 S16 T17 W21 F22 Q23 | E15-K19 WeakPolarHBondContact O-CA 3.16Å; E15-K19 WeakPolarHBondContact O-CB 3.42Å; E15-K19 PolarHBondContact O-N 3.48Å; S16-K19 WeakPolarHBondContact O-CA 3.5Å; S16-K19 WeakPolarHBondContact O-CB 3.3Å; T17-K19 CarbonylContact O-C 3.59Å; K19-W21 PolarHBondContact O-N 2.96Å; K19-F22 PolarHBondContact O-N 3.42Å; K19-Q23 PolarHBondContact O-N 3.45Å |
| 20 | V | 95 | Very high | 90.8 | Very high | 82 Ų | 82 | 102.5 Ų | 102.5 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -56.1 | -36.1 | 178.7 | 177.5 | 0 | 0 | 0 | 0 | 109.7 | S16 T17 F22 Q23 N24 | S16-V20 PolarHBondContact O-N 3.34Å; T17-V20 PolarHBondContact O-N 3.35Å; V20-F22 PolarHBondContact O-N 2.84Å; V20-Q23 CarbonylContact O-C 3.58Å; V20-Q23 WeakPolarHBondContact O-CB 3.47Å; V20-Q23 PolarHBondContact O-N 3.27Å; V20-Q23 VanDerWaalsContact O-N 3.16Å; V20-N24 VanDerWaalsContact O-CB 3.24Å; V20-N24 WeakPolarHBondContact O-CB 3.31Å; V20-N24 PolarHBondContact O-N 3.07Å |
| 21 | W | 93.5 | Very high | 90.9 | Very high | 149 Ų | 149 | 103.9 Ų | 103.9 | 56% | 0.564 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -59.5 | -49.1 | 178 | -172.9 | 88.9 | 0 | 0 | 0 | 112.5 | T17 I18 K19 Q23 N24 R25 | T17-W21 VanDerWaalsContact O-CB 3.3Å; T17-W21 WeakPolarHBondContact O-CB 3.23Å; T17-W21 PolarHBondContact O-N 3.39Å; I18-W21 PolarHBondContact O-N 2.95Å; K19-W21 PolarHBondContact O-N 2.96Å; W21-Q23 VanDerWaalsContact C-N 3.28Å; W21-Q23 PolarHBondContact O-N 2.86Å; W21-N24 PolarHBondContact O-N 2.87Å; W21-R25 VanDerWaalsContact O-CB 3.22Å; W21-R25 WeakPolarHBondContact O-CB 3.36Å; W21-R25 PolarHBondContact O-N 3.35Å |
| 22 | F | 93.1 | Very high | 90.9 | Very high | 67 Ų | 67 | 103.8 Ų | 103.8 | 29% | 0.294 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -34.8 | 175.9 | -83 | -64.1 | 0 | 0 | 0 | 112.3 | R4 L7 I18 K19 V20 R26 | R4-F22 HydrophobicContact CG-CD2 4.48Å; R4-F22 HydrophobicContact CG-CE2 4.26Å; L7-F22 HydrophobicContact CD1-CE2 4.15Å; L7-F22 HydrophobicContact CD1-CZ 3.96Å; I18-F22 HydrophobicContact CG2-CD2 3.68Å; I18-F22 HydrophobicContact CG2-CE2 3.49Å; I18-F22 VanDerWaalsContact CG2-CE2 3.49Å; I18-F22 VanDerWaalsContact O-CD2 3.23Å; I18-F22 WeakPolarHBondContact O-CD2 3.47Å; I18-F22 PolarHBondContact O-N 2.92Å; K19-F22 PolarHBondContact O-N 3.42Å; V20-F22 PolarHBondContact O-N 2.84Å; F22-R26 WeakPolarHBondContact O-CB 3.36Å; F22-R26 WeakPolarHBondContact O-CG 3.35Å; F22-R26 PolarHBondContact O-N 3.21Å |
| 23 | Q | 93.2 | Very high | 90.7 | Very high | 119 Ų | 119 | 104.7 Ų | 104.7 | 56% | 0.556 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.4 | -45.1 | 176.5 | -165.5 | 163.3 | 28.3 | 0 | 0 | 111.4 | K19 V20 W21 R25 R26 M27 | K19-Q23 PolarHBondContact O-N 3.45Å; V20-Q23 CarbonylContact O-C 3.58Å; V20-Q23 WeakPolarHBondContact O-CB 3.47Å; V20-Q23 PolarHBondContact O-N 3.27Å; V20-Q23 VanDerWaalsContact O-N 3.16Å; W21-Q23 VanDerWaalsContact C-N 3.28Å; W21-Q23 PolarHBondContact O-N 2.86Å; Q23-R25 VanDerWaalsContact C-N 3.34Å; Q23-R26 PolarHBondContact O-N 3Å; Q23-M27 WeakPolarHBondContact O-CB 3.24Å; Q23-M27 WeakPolarHBondContact O-CG 3.48Å; Q23-M27 PolarHBondContact O-N 3.19Å |
| 24 | N | 93.9 | Very high | 89.9 | Confident | 113 Ų | 113 | 105.4 Ų | 105.4 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67.9 | -37.5 | 178.7 | -143.9 | -3.1 | 0 | 0 | 0 | 110.6 | V20 W21 M27 K28 | V20-N24 VanDerWaalsContact O-CB 3.24Å; V20-N24 WeakPolarHBondContact O-CB 3.31Å; V20-N24 PolarHBondContact O-N 3.07Å; W21-N24 PolarHBondContact O-N 2.87Å; N24-M27 PolarHBondContact O-N 3.21Å; N24-K28 WeakPolarHBondContact O-CB 3.18Å; N24-K28 PolarHBondContact O-N 3.14Å |
| 25 | R | 94.7 | Very high | 88.6 | Confident | 141 Ų | 141 | 104.3 Ų | 104.3 | 53% | 0.532 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 173.4 | -174.5 | 64.7 | -175.9 | -180 | 4.4 | 111.9 | W21 Q23 M27 K28 D29 | W21-R25 VanDerWaalsContact O-CB 3.22Å; W21-R25 WeakPolarHBondContact O-CB 3.36Å; W21-R25 PolarHBondContact O-N 3.35Å; Q23-R25 VanDerWaalsContact C-N 3.34Å; R25-M27 VanDerWaalsContact C-N 3.35Å; R25-K28 PolarHBondContact O-N 3.21Å; R25-D29 PolarHBondContact O-N 3.3Å |
| 26 | R | 92.3 | Very high | 87.4 | Confident | 183 Ų | 183 | 104.8 Ų | 104.8 | 69% | 0.691 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.5 | -38.8 | 175.2 | -76.2 | -168.2 | -144 | 147.2 | 2.3 | 112.3 | F22 Q23 K28 D29 K30 | F22-R26 WeakPolarHBondContact O-CB 3.36Å; F22-R26 WeakPolarHBondContact O-CG 3.35Å; F22-R26 PolarHBondContact O-N 3.21Å; Q23-R26 PolarHBondContact O-N 3Å; R26-K28 VanDerWaalsContact C-N 3.32Å; R26-D29 PolarHBondContact O-N 2.94Å; R26-K30 WeakPolarHBondContact O-CB 3.22Å; R26-K30 PolarHBondContact O-N 3.43Å |
| 27 | M | 93.3 | Very high | 86 | Confident | 77 Ų | 77 | 105 Ų | 105 | 38% | 0.379 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 175.9 | -78.6 | -50.1 | -45.1 | 0 | 0 | 111.8 | Q23 N24 R25 K30 R31 | Q23-M27 WeakPolarHBondContact O-CB 3.24Å; Q23-M27 WeakPolarHBondContact O-CG 3.48Å; Q23-M27 PolarHBondContact O-N 3.19Å; N24-M27 PolarHBondContact O-N 3.21Å; R25-M27 VanDerWaalsContact C-N 3.35Å; M27-K30 HydrophobicContact CE-CD 4.27Å; M27-K30 PolarHBondContact O-N 2.86Å; M27-R31 WeakPolarHBondContact O-CB 3.36Å; M27-R31 VanDerWaalsContact O-CG 3.27Å; M27-R31 WeakPolarHBondContact O-CG 3.21Å; M27-R31 PolarHBondContact O-N 2.96Å |
| 28 | K | 92.1 | Very high | 84 | Confident | 116 Ų | 116 | 109.2 Ų | 109.2 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.8 | -46.7 | 174.4 | -168.1 | 173.1 | -169.7 | 176.1 | 0 | 111.5 | N24 R25 R26 K30 R31 Q32 | N24-K28 WeakPolarHBondContact O-CB 3.18Å; N24-K28 PolarHBondContact O-N 3.14Å; R25-K28 PolarHBondContact O-N 3.21Å; R26-K28 VanDerWaalsContact C-N 3.32Å; K28-K30 PolarHBondContact O-N 3.42Å; K28-R31 PolarHBondContact O-N 3.31Å; K28-Q32 HydrophobicContact CG-CG 4.47Å; K28-Q32 WeakPolarHBondContact O-CB 3.44Å; K28-Q32 VanDerWaalsContact O-CG 3.27Å; K28-Q32 WeakPolarHBondContact O-CG 3.27Å; K28-Q32 PolarHBondContact O-N 2.85Å |
| 29 | D | 88.3 | Confident | 82.6 | Confident | 63 Ų | 63 | 113.2 Ų | 113.2 | 34% | 0.337 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 176 | 177.5 | 75.5 | 0 | 0 | 0 | 111.6 | R25 R26 R31 Q32 R33 | R25-D29 PolarHBondContact O-N 3.3Å; R26-D29 PolarHBondContact O-N 2.94Å; D29-R31 PolarHBondContact O-N 3.49Å; D29-Q32 PolarHBondContact O-N 3.49Å; D29-R33 WeakPolarHBondContact O-CG 3.41Å; D29-R33 PolarHBondContact O-N 2.88Å; D29-R33 IonicContact OD1-CZ 2.94Å; D29-R33 IonicContact OD1-NE 3.88Å; D29-R33 PolarHBondContact OD1-NE 3.21Å; D29-R33 IonicContact OD1-NH2 3.3Å; D29-R33 IonicContact OD2-CZ 3.28Å; D29-R33 VanDerWaalsContact OD2-CZ 3.28Å; D29-R33 IonicContact OD2-NE 3.6Å; D29-R33 PolarHBondContact OD2-NE 3.39Å; D29-R33 IonicContact OD2-NH2 3.35Å; D29-R33 PolarHBondContact OD2-NH2 3.33Å |
| 30 | K | 90.6 | Very high | 80.8 | Confident | 121 Ų | 121 | 116 Ų | 116 | 53% | 0.526 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -57.9 | -48 | 174.1 | 178.3 | 177 | -74.5 | -168.7 | 0 | 111.7 | R26 M27 K28 Q32 R33 I34 | R26-K30 WeakPolarHBondContact O-CB 3.22Å; R26-K30 PolarHBondContact O-N 3.43Å; M27-K30 HydrophobicContact CE-CD 4.27Å; M27-K30 PolarHBondContact O-N 2.86Å; K28-K30 PolarHBondContact O-N 3.42Å; K30-Q32 VanDerWaalsContact C-N 3.32Å; K30-Q32 PolarHBondContact O-N 3.38Å; K30-R33 PolarHBondContact O-N 2.8Å; K30-I34 HydrophobicContact CD-CD1 4.45Å; K30-I34 HydrophobicContact CG-CD1 3.78Å; K30-I34 WeakPolarHBondContact O-CB 3.33Å; K30-I34 VanDerWaalsContact O-CG1 3.26Å; K30-I34 WeakPolarHBondContact O-CG1 3.39Å; K30-I34 PolarHBondContact O-N 2.74Å |
| 31 | R | 88.1 | Confident | 79 | Confident | 181 Ų | 181 | 114.1 Ų | 114.1 | 68% | 0.683 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.4 | -39.6 | 177.8 | -75.7 | 177.6 | -177.9 | -160.5 | 1.8 | 111.7 | M27 K28 D29 I34 A35 | M27-R31 WeakPolarHBondContact O-CB 3.36Å; M27-R31 VanDerWaalsContact O-CG 3.27Å; M27-R31 WeakPolarHBondContact O-CG 3.21Å; M27-R31 PolarHBondContact O-N 2.96Å; K28-R31 PolarHBondContact O-N 3.31Å; D29-R31 PolarHBondContact O-N 3.49Å; R31-I34 PolarHBondContact O-N 3.39Å; R31-A35 WeakPolarHBondContact O-CB 3.4Å; R31-A35 PolarHBondContact O-N 2.86Å |
| 32 | Q | 84.3 | Confident | 77.2 | Confident | 97 Ų | 97 | 109.1 Ų | 109.1 | 45% | 0.453 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -67.6 | -44.7 | 178.2 | -75.7 | 177.2 | -37.5 | 0 | 0 | 111.7 | K28 D29 K30 I34 A35 V36 | K28-Q32 HydrophobicContact CG-CG 4.47Å; K28-Q32 WeakPolarHBondContact O-CB 3.44Å; K28-Q32 VanDerWaalsContact O-CG 3.27Å; K28-Q32 WeakPolarHBondContact O-CG 3.27Å; K28-Q32 PolarHBondContact O-N 2.85Å; D29-Q32 PolarHBondContact O-N 3.49Å; K30-Q32 VanDerWaalsContact C-N 3.32Å; K30-Q32 PolarHBondContact O-N 3.38Å; Q32-I34 VanDerWaalsContact C-N 3.31Å; Q32-I34 PolarHBondContact O-N 3.06Å; Q32-A35 PolarHBondContact O-N 3.37Å; Q32-V36 WeakPolarHBondContact O-CB 3.38Å; Q32-V36 WeakPolarHBondContact O-CG2 3.5Å; Q32-V36 PolarHBondContact O-N 3.26Å |
| 33 | R | 78.4 | Confident | 75.6 | Confident | 173 Ų | 173 | 108.2 Ų | 108.2 | 65% | 0.653 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.6 | -40.6 | 175.3 | -70 | 177.3 | -170.8 | -154.2 | 0 | 112.4 | D29 K30 A37 | D29-R33 WeakPolarHBondContact O-CG 3.41Å; D29-R33 PolarHBondContact O-N 2.88Å; D29-R33 IonicContact OD1-CZ 2.94Å; D29-R33 IonicContact OD1-NE 3.88Å; D29-R33 PolarHBondContact OD1-NE 3.21Å; D29-R33 IonicContact OD1-NH2 3.3Å; D29-R33 IonicContact OD2-CZ 3.28Å; D29-R33 VanDerWaalsContact OD2-CZ 3.28Å; D29-R33 IonicContact OD2-NE 3.6Å; D29-R33 PolarHBondContact OD2-NE 3.39Å; D29-R33 IonicContact OD2-NH2 3.35Å; D29-R33 PolarHBondContact OD2-NH2 3.33Å; K30-R33 PolarHBondContact O-N 2.8Å; R33-A37 PolarHBondContact O-N 3.36Å |
| 34 | I | 72.8 | Confident | 73.7 | Confident | 93 Ų | 93 | 112.1 Ų | 112.1 | 48% | 0.477 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.7 | -48.1 | 175.6 | -65.1 | 167.9 | 0 | 0 | 0 | 109.6 | K30 R31 Q32 V36 A37 W38 | K30-I34 HydrophobicContact CD-CD1 4.45Å; K30-I34 HydrophobicContact CG-CD1 3.78Å; K30-I34 WeakPolarHBondContact O-CB 3.33Å; K30-I34 VanDerWaalsContact O-CG1 3.26Å; K30-I34 WeakPolarHBondContact O-CG1 3.39Å; K30-I34 PolarHBondContact O-N 2.74Å; R31-I34 PolarHBondContact O-N 3.39Å; Q32-I34 VanDerWaalsContact C-N 3.31Å; Q32-I34 PolarHBondContact O-N 3.06Å; I34-V36 PolarHBondContact O-N 3.42Å; I34-A37 CarbonylContact O-C 3.29Å; I34-A37 VanDerWaalsContact O-C 3.29Å; I34-A37 WeakPolarHBondContact O-CA 3.26Å; I34-A37 WeakPolarHBondContact O-CB 3.49Å; I34-A37 PolarHBondContact O-N 3.21Å; I34-W38 VanDerWaalsContact O-CD1 3.25Å; I34-W38 PolarHBondContact O-N 3.44Å; I34-W38 VanDerWaalsContact O-N 3.08Å |
| 35 | A | 64.4 | Low | 72.1 | Confident | 53 Ų | 53 | 111.2 Ų | 111.2 | 44% | 0.438 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.6 | -33.1 | -178 | 0 | 0 | 0 | 0 | 0 | 114.3 | R31 Q32 A37 W38 | R31-A35 WeakPolarHBondContact O-CB 3.4Å; R31-A35 PolarHBondContact O-N 2.86Å; Q32-A35 PolarHBondContact O-N 3.37Å; A35-A37 PolarHBondContact O-N 3.41Å; A35-W38 WeakPolarHBondContact O-CB 3.08Å; A35-W38 PolarHBondContact O-N 3.44Å; A35-W38 VanDerWaalsContact O-N 3.12Å |
| 36 | V | 63.3 | Low | 70.3 | Confident | 117 Ų | 117 | 108 Ų | 108 | 71% | 0.709 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -66.9 | -28.6 | 171.2 | 172.6 | 0 | 0 | 0 | 0 | 111 | Q32 I34 | Q32-V36 WeakPolarHBondContact O-CB 3.38Å; Q32-V36 WeakPolarHBondContact O-CG2 3.5Å; Q32-V36 PolarHBondContact O-N 3.26Å; I34-V36 PolarHBondContact O-N 3.42Å |
| 37 | A | 61.9 | Low | 69.1 | Low | 80 Ų | 80 | 104.4 Ų | 104.4 | 66% | 0.661 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.9 | 6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | R33 I34 A35 | R33-A37 PolarHBondContact O-N 3.36Å; I34-A37 CarbonylContact O-C 3.29Å; I34-A37 VanDerWaalsContact O-C 3.29Å; I34-A37 WeakPolarHBondContact O-CA 3.26Å; I34-A37 WeakPolarHBondContact O-CB 3.49Å; I34-A37 PolarHBondContact O-N 3.21Å; A35-A37 PolarHBondContact O-N 3.41Å |
| 38 | W | 48.2 | Very low | 67.9 | Low | 150 Ų | 150 | 103.9 Ų | 103.9 | 57% | 0.568 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -69.1 | 136.3 | 174.2 | -93.3 | 55 | 0 | 0 | 0 | 109.3 | I34 A35 Y40 A41 | I34-W38 VanDerWaalsContact O-CD1 3.25Å; I34-W38 PolarHBondContact O-N 3.44Å; I34-W38 VanDerWaalsContact O-N 3.08Å; A35-W38 WeakPolarHBondContact O-CB 3.08Å; A35-W38 PolarHBondContact O-N 3.44Å; A35-W38 VanDerWaalsContact O-N 3.12Å; W38-Y40 HydrophobicContact CE3-CD2 4.39Å; W38-Y40 PolarHBondContact O-N 2.96Å; W38-A41 PolarHBondContact O-N 3.45Å |
| 39 | P | 61.8 | Low | 66.7 | Low | 91 Ų | 91 | 102.9 Ų | 102.9 | 59% | 0.591 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -56.9 | -20.7 | -177.7 | 19.5 | -30.3 | 0 | 0 | 0 | 113.2 | A42 V43 | P39-A42 PolarHBondContact O-N 3.29Å; P39-V43 WeakPolarHBondContact O-CG2 3.38Å; P39-V43 PolarHBondContact O-N 2.78Å |
| 40 | Y | 54.6 | Low | 65.8 | Low | 169 Ų | 169 | 101.2 Ų | 101.2 | 66% | 0.663 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.6 | -29.1 | 174.1 | -85.9 | -84.2 | 0 | 0 | 0 | 114.9 | W38 Y44 | W38-Y40 HydrophobicContact CE3-CD2 4.39Å; W38-Y40 PolarHBondContact O-N 2.96Å; Y40-Y44 PolarHBondContact O-N 3.42Å |
| 41 | A | 56.6 | Low | 64.8 | Low | 44 Ų | 44 | 98.2 Ų | 98.2 | 36% | 0.364 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.8 | -40 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | W38 Y44 S45 | W38-A41 PolarHBondContact O-N 3.45Å; A41-Y44 PolarHBondContact O-N 2.85Å; A41-S45 VanDerWaalsContact O-CB 3.26Å; A41-S45 WeakPolarHBondContact O-CB 3.4Å; A41-S45 PolarHBondContact O-N 3.42Å; A41-S45 PolarHBondContact O-OG 3.49Å |
| 42 | A | 56.2 | Low | 64.2 | Low | 43 Ų | 43 | 93 Ų | 93 | 36% | 0.355 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.8 | -35.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | P39 Y44 S45 F49 | P39-A42 PolarHBondContact O-N 3.29Å; A42-Y44 VanDerWaalsContact C-N 3.26Å; A42-Y44 PolarHBondContact O-N 3Å; A42-S45 WeakPolarHBondContact CA-OG 3.26Å; A42-S45 PolarHBondContact O-OG 3.44Å; A42-F49 HydrophobicContact CB-CE1 4.43Å |
| 43 | V | 57.8 | Low | 63.9 | Low | 48 Ų | 48 | 92.6 Ų | 92.6 | 29% | 0.291 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.7 | -22.2 | 176.1 | 172.2 | 0 | 0 | 0 | 0 | 112.5 | P39 F49 A50 I53 | P39-V43 WeakPolarHBondContact O-CG2 3.38Å; P39-V43 PolarHBondContact O-N 2.78Å; V43-F49 HydrophobicContact CG2-CE1 4.37Å; V43-A50 HydrophobicContact CG1-CB 4.34Å; V43-A50 WeakPolarHBondContact O-CB 3.27Å; V43-I53 HydrophobicContact CG2-CD1 4.36Å |
| 44 | Y | 54 | Low | 63.8 | Low | 201 Ų | 201 | 90.7 Ų | 90.7 | 79% | 0.788 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -105.4 | -20.4 | 176.6 | -99.9 | -87.4 | 0 | 0 | 0 | 114.5 | Y40 A41 A42 | Y40-Y44 PolarHBondContact O-N 3.42Å; A41-Y44 PolarHBondContact O-N 2.85Å; A42-Y44 VanDerWaalsContact C-N 3.26Å; A42-Y44 PolarHBondContact O-N 3Å |
| 45 | S | 61.5 | Low | 63.8 | Low | 95 Ų | 95 | 91.6 Ų | 91.6 | 66% | 0.664 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -77.8 | -22.1 | 178.8 | 60.5 | 0 | 0 | 0 | 0 | 113.3 | A41 A42 | A41-S45 VanDerWaalsContact O-CB 3.26Å; A41-S45 WeakPolarHBondContact O-CB 3.4Å; A41-S45 PolarHBondContact O-N 3.42Å; A41-S45 PolarHBondContact O-OG 3.49Å; A42-S45 WeakPolarHBondContact CA-OG 3.26Å; A42-S45 PolarHBondContact O-OG 3.44Å |
| 46 | D | 56.8 | Low | 64 | Low | 73 Ų | 73 | 91.9 Ų | 91.9 | 39% | 0.39 | 53% | 0.527 | S | S | . | . | | | trans | -133.3 | 106.1 | 179 | -175.8 | 2.1 | 0 | 0 | 0 | 111.5 | A48 F49 A50 | D46-A48 PolarHBondContact O-N 3.24Å; D46-A48 WeakPolarHBondContact OD1-CB 3.43Å; D46-A48 PolarHBondContact OD1-N 2.88Å; D46-F49 HydrophobicContact CB-CB 4.01Å; D46-F49 PolarHBondContact O-N 3.38Å; D46-A50 PolarHBondContact O-N 2.81Å |
| 47 | P | 65.8 | Low | 64.2 | Low | 108 Ų | 108 | 88.7 Ų | 88.7 | 70% | 0.701 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -56.4 | -28.5 | 176 | -21.2 | 30.7 | 0 | 0 | 0 | 113.8 | A51 | P47-A51 WeakPolarHBondContact O-CB 3.44Å; P47-A51 PolarHBondContact O-N 3.46Å; P47-A51 VanDerWaalsContact O-N 3.12Å |
| 48 | A | 69.1 | Low | 64.4 | Low | 66 Ų | 66 | 87.6 Ų | 87.6 | 55% | 0.545 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75.8 | -39.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | D46 A51 S52 | D46-A48 PolarHBondContact O-N 3.24Å; D46-A48 WeakPolarHBondContact OD1-CB 3.43Å; D46-A48 PolarHBondContact OD1-N 2.88Å; A48-A51 PolarHBondContact O-N 3.44Å; A48-S52 PolarHBondContact O-N 3.43Å |
| 49 | F | 66.9 | Low | 65.4 | Low | 94 Ų | 94 | 86.5 Ų | 86.5 | 41% | 0.412 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -39.8 | 175.1 | -175.4 | -108.5 | 0 | 0 | 0 | 111.9 | A42 V43 D46 S52 I53 | A42-F49 HydrophobicContact CB-CE1 4.43Å; V43-F49 HydrophobicContact CG2-CE1 4.37Å; D46-F49 HydrophobicContact CB-CB 4.01Å; D46-F49 PolarHBondContact O-N 3.38Å; F49-S52 WeakPolarHBondContact O-CB 3.45Å; F49-S52 PolarHBondContact O-N 3.33Å; F49-I53 HydrophobicContact CD1-CD1 4.37Å; F49-I53 HydrophobicContact CE1-CD1 3.64Å; F49-I53 HydrophobicContact CE1-CG1 4.36Å; F49-I53 HydrophobicContact CZ-CD1 3.76Å; F49-I53 HydrophobicContact CZ-CG1 4.3Å; F49-I53 PolarHBondContact O-N 3.31Å |
| 50 | A | 68.3 | Low | 65.4 | Low | 29 Ų | 29 | 85.3 Ų | 85.3 | 24% | 0.24 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -60.3 | -46.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | V43 D46 S52 I53 L54 | V43-A50 HydrophobicContact CG1-CB 4.34Å; V43-A50 WeakPolarHBondContact O-CB 3.27Å; D46-A50 PolarHBondContact O-N 2.81Å; A50-S52 VanDerWaalsContact C-N 3.31Å; A50-S52 PolarHBondContact O-N 2.9Å; A50-I53 PolarHBondContact O-N 3.06Å; A50-L54 WeakPolarHBondContact O-CB 3.35Å; A50-L54 PolarHBondContact O-N 3.48Å |
| 51 | A | 69.6 | Low | 65.6 | Low | 57 Ų | 57 | 83.5 Ų | 83.5 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.2 | -38.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | P47 A48 L54 Q55 | P47-A51 WeakPolarHBondContact O-CB 3.44Å; P47-A51 PolarHBondContact O-N 3.46Å; P47-A51 VanDerWaalsContact O-N 3.12Å; A48-A51 PolarHBondContact O-N 3.44Å; A51-L54 PolarHBondContact O-N 3.19Å; A51-Q55 WeakPolarHBondContact O-CB 3.45Å; A51-Q55 PolarHBondContact O-N 3.19Å |
| 52 | S | 75.6 | Confident | 65.6 | Low | 73 Ų | 73 | 84.8 Ų | 84.8 | 51% | 0.51 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 176.3 | -174.7 | 0 | 0 | 0 | 0 | 112.7 | A48 F49 A50 A56 | A48-S52 PolarHBondContact O-N 3.43Å; F49-S52 WeakPolarHBondContact O-CB 3.45Å; F49-S52 PolarHBondContact O-N 3.33Å; A50-S52 VanDerWaalsContact C-N 3.31Å; A50-S52 PolarHBondContact O-N 2.9Å; S52-A56 VanDerWaalsContact O-CB 3.25Å; S52-A56 WeakPolarHBondContact O-CB 3.35Å; S52-A56 PolarHBondContact O-N 3.48Å |
| 53 | I | 77.8 | Confident | 65.6 | Low | 87 Ų | 87 | 90.2 Ų | 90.2 | 45% | 0.446 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.6 | -42.4 | 175.7 | -69.8 | -170.8 | 0 | 0 | 0 | 110.6 | V43 F49 A50 Q55 A56 A57 | V43-I53 HydrophobicContact CG2-CD1 4.36Å; F49-I53 HydrophobicContact CD1-CD1 4.37Å; F49-I53 HydrophobicContact CE1-CD1 3.64Å; F49-I53 HydrophobicContact CE1-CG1 4.36Å; F49-I53 HydrophobicContact CZ-CD1 3.76Å; F49-I53 HydrophobicContact CZ-CG1 4.3Å; F49-I53 PolarHBondContact O-N 3.31Å; A50-I53 PolarHBondContact O-N 3.06Å; I53-Q55 VanDerWaalsContact C-N 3.34Å; I53-Q55 PolarHBondContact O-N 3.18Å; I53-A56 PolarHBondContact O-N 3.33Å; I53-A57 VanDerWaalsContact O-CB 3.28Å; I53-A57 WeakPolarHBondContact O-CB 3.47Å; I53-A57 PolarHBondContact O-N 3.4Å |
| 54 | L | 76.9 | Confident | 65.3 | Low | 133 Ų | 133 | 93.2 Ų | 93.2 | 70% | 0.696 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.1 | -39.1 | 178.6 | -153.5 | 101.3 | 0 | 0 | 0 | 111.6 | A50 A51 A57 A58 | A50-L54 WeakPolarHBondContact O-CB 3.35Å; A50-L54 PolarHBondContact O-N 3.48Å; A51-L54 PolarHBondContact O-N 3.19Å; L54-A57 PolarHBondContact O-N 3.03Å; L54-A58 VanDerWaalsContact O-CB 3.3Å; L54-A58 WeakPolarHBondContact O-CB 3.16Å; L54-A58 PolarHBondContact O-N 2.86Å |
| 55 | Q | 72 | Confident | 64.8 | Low | 113 Ų | 113 | 93.9 Ų | 93.9 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.3 | -41.7 | 176.2 | -172.6 | 66 | 47.2 | 0 | 0 | 111.7 | A51 I53 A57 A58 N59 | A51-Q55 WeakPolarHBondContact O-CB 3.45Å; A51-Q55 PolarHBondContact O-N 3.19Å; I53-Q55 VanDerWaalsContact C-N 3.34Å; I53-Q55 PolarHBondContact O-N 3.18Å; Q55-A57 VanDerWaalsContact C-N 3.31Å; Q55-A58 PolarHBondContact O-N 3.35Å; Q55-N59 PolarHBondContact NE2-OD1 3.37Å; Q55-N59 WeakPolarHBondContact O-CB 3.45Å; Q55-N59 VanDerWaalsContact O-CG 3.26Å; Q55-N59 PolarHBondContact O-N 2.91Å |
| 56 | A | 69.3 | Low | 64.4 | Low | 58 Ų | 58 | 93.8 Ų | 93.8 | 48% | 0.479 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.9 | -40.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | S52 I53 N59 S60 | S52-A56 VanDerWaalsContact O-CB 3.25Å; S52-A56 WeakPolarHBondContact O-CB 3.35Å; S52-A56 PolarHBondContact O-N 3.48Å; I53-A56 PolarHBondContact O-N 3.33Å; A56-N59 PolarHBondContact O-N 3.32Å; A56-S60 WeakPolarHBondContact O-CB 3.13Å; A56-S60 PolarHBondContact O-N 3.28Å; A56-S60 VanDerWaalsContact O-N 3.12Å; A56-S60 PolarHBondContact O-OG 2.93Å |
| 57 | A | 67.8 | Low | 64.5 | Low | 50 Ų | 50 | 95.4 Ų | 95.4 | 41% | 0.413 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -64.6 | -44.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I53 L54 Q55 N59 S60 V61 | I53-A57 VanDerWaalsContact O-CB 3.28Å; I53-A57 WeakPolarHBondContact O-CB 3.47Å; I53-A57 PolarHBondContact O-N 3.4Å; L54-A57 PolarHBondContact O-N 3.03Å; Q55-A57 VanDerWaalsContact C-N 3.31Å; A57-N59 VanDerWaalsContact C-N 3.29Å; A57-N59 PolarHBondContact O-N 3.44Å; A57-S60 WeakPolarHBondContact CA-OG 3.33Å; A57-S60 PolarHBondContact O-N 2.91Å; A57-S60 PolarHBondContact O-OG 3.08Å; A57-V61 PolarHBondContact O-N 3.12Å |
| 58 | A | 66.6 | Low | 63.7 | Low | 57 Ų | 57 | 101 Ų | 101 | 47% | 0.471 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -63.1 | -32.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L54 Q55 S60 V61 | L54-A58 VanDerWaalsContact O-CB 3.3Å; L54-A58 WeakPolarHBondContact O-CB 3.16Å; L54-A58 PolarHBondContact O-N 2.86Å; Q55-A58 PolarHBondContact O-N 3.35Å; A58-S60 VanDerWaalsContact C-N 3.3Å; A58-V61 WeakPolarHBondContact O-CG2 3.44Å |
| 59 | N | 68.4 | Low | 62.7 | Low | 127 Ų | 127 | 100.3 Ų | 100.3 | 68% | 0.679 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -80.3 | -11.6 | 174.3 | -69.7 | -4.4 | 0 | 0 | 0 | 113.1 | Q55 A56 A57 | Q55-N59 PolarHBondContact NE2-OD1 3.37Å; Q55-N59 WeakPolarHBondContact O-CB 3.45Å; Q55-N59 VanDerWaalsContact O-CG 3.26Å; Q55-N59 PolarHBondContact O-N 2.91Å; A56-N59 PolarHBondContact O-N 3.32Å; A57-N59 VanDerWaalsContact C-N 3.29Å; A57-N59 PolarHBondContact O-N 3.44Å |
| 60 | S | 62.3 | Low | 62.1 | Low | 66 Ų | 66 | 101.7 Ų | 101.7 | 46% | 0.462 | 60% | 0.603 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.1 | 7 | -178.3 | 73 | 0 | 0 | 0 | 0 | 114.3 | A56 A57 A58 G62 M63 | A56-S60 WeakPolarHBondContact O-CB 3.13Å; A56-S60 PolarHBondContact O-N 3.28Å; A56-S60 VanDerWaalsContact O-N 3.12Å; A56-S60 PolarHBondContact O-OG 2.93Å; A57-S60 WeakPolarHBondContact CA-OG 3.33Å; A57-S60 PolarHBondContact O-N 2.91Å; A57-S60 PolarHBondContact O-OG 3.08Å; A58-S60 VanDerWaalsContact C-N 3.3Å; S60-G62 PolarHBondContact O-N 3.02Å; S60-M63 PolarHBondContact O-N 3.46Å |
| 61 | V | 57.7 | Low | 61.4 | Low | 131 Ų | 131 | 103.4 Ų | 103.4 | 79% | 0.794 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 82.5 | 176.6 | -171.2 | 0 | 0 | 0 | 0 | 109.1 | A57 A58 | A57-V61 PolarHBondContact O-N 3.12Å; A58-V61 WeakPolarHBondContact O-CG2 3.44Å |
| 62 | G | 57.6 | Low | 60.8 | Low | 72 Ų | 72 | 103.5 Ų | 103.5 | 74% | 0.742 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 165.7 | -12.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | S60 | S60-G62 PolarHBondContact O-N 3.02Š|
| 63 | M | 56.7 | Low | 59.9 | Low | 157 Ų | 157 | 103.4 Ų | 103.4 | 77% | 0.773 | 62% | 0.622 | S | S | * | * | S | Bend | trans | -97.7 | 130.2 | 177.8 | -72.1 | -59 | -67.4 | 0 | 0 | 112.7 | S60 Y65 | S60-M63 PolarHBondContact O-N 3.46Å; M63-Y65 PolarHBondContact O-N 2.94Å |
| 64 | P | 51.2 | Low | 58.9 | Low | 111 Ų | 111 | 102.1 Ų | 102.1 | 72% | 0.721 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 119.7 | 178 | 26.3 | -32.8 | 0 | 0 | 0 | 110 | P66 | P64-P66 WeakPolarHBondContact O-CD 3.41Š|
| 65 | Y | 42.3 | Very low | 57.9 | Low | 215 Ų | 215 | 98.8 Ų | 98.8 | 84% | 0.843 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 119 | -177.7 | -160.3 | -92.5 | 0 | 0 | 0 | 110.4 | M63 | M63-Y65 PolarHBondContact O-N 2.94Š|
| 66 | P | 53.2 | Low | 57.3 | Low | 92 Ų | 92 | 96.4 Ų | 96.4 | 60% | 0.597 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 130.4 | 170.2 | 26.9 | -30 | 0 | 0 | 0 | 110 | P64 Y68 | P64-P66 WeakPolarHBondContact O-CD 3.41Å; P66-Y68 PolarHBondContact O-N 3.03Å |
| 67 | P | 58.8 | Low | 56.9 | Low | 107 Ų | 107 | 96.5 Ų | 96.5 | 70% | 0.695 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -75.1 | 123.6 | 177.8 | 31.7 | -31 | 0 | 0 | 0 | 108.6 | | |
| 68 | Y | 50 | Low | 56.5 | Low | 226 Ų | 226 | 96.9 Ų | 96.9 | 89% | 0.886 | 62% | 0.62 | S | S | * | * | | | trans | 73 | 102.5 | 176.4 | -64 | -94 | 0 | 0 | 0 | 117.3 | P66 | P66-Y68 PolarHBondContact O-N 3.03Š|
| 69 | A | 46.7 | Very low | 56.1 | Low | 52 Ų | 52 | 97.3 Ų | 97.3 | 43% | 0.43 | 62% | 0.623 | S | S | . | * | | | | -167.5 | 134.6 | 125.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | A71 A72 | A69-A71 HydrophobicContact CB-CB 3.91Å; A69-A71 PolarHBondContact O-N 3.44Å; A69-A72 PolarHBondContact O-N 2.97Å; A69-A72 VanDerWaalsContact O-N 3.11Å |
| 70 | P | 56.3 | Low | 55.7 | Low | 122 Ų | 122 | 94 Ų | 94 | 79% | 0.792 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -59 | -7.6 | 163.2 | 26.1 | -33.6 | 0 | 0 | 0 | 113.3 | A74 | P70-A74 PolarHBondContact O-N 3.4Å |
| 71 | A | 53.6 | Low | 55.4 | Low | 66 Ų | 66 | 93.4 Ų | 93.4 | 55% | 0.545 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -75.3 | -31 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A69 A74 A75 | A69-A71 HydrophobicContact CB-CB 3.91Å; A69-A71 PolarHBondContact O-N 3.44Å; A71-A74 PolarHBondContact O-N 2.91Å; A71-A75 WeakPolarHBondContact O-CB 3.43Å; A71-A75 PolarHBondContact O-N 3.32Å |
| 72 | A | 55.6 | Low | 55.5 | Low | 59 Ų | 59 | 91.5 Ų | 91.5 | 49% | 0.488 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -71.4 | -36.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | A69 A75 A76 | A69-A72 PolarHBondContact O-N 2.97Å; A69-A72 VanDerWaalsContact O-N 3.11Å; A72-A75 PolarHBondContact O-N 3.39Å; A72-A76 WeakPolarHBondContact O-CB 3.37Å; A72-A76 PolarHBondContact O-N 3.11Å |
| 73 | A | 56.7 | Low | 55.6 | Low | 70 Ų | 70 | 92.1 Ų | 92.1 | 58% | 0.579 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.3 | -36.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A77 | A73-A77 WeakPolarHBondContact O-CB 3.25Å; A73-A77 PolarHBondContact O-N 2.98Å |
| 74 | A | 57.4 | Low | 55.8 | Low | 60 Ų | 60 | 89.6 Ų | 89.6 | 50% | 0.496 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.9 | -38.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | P70 A71 A77 A78 | P70-A74 PolarHBondContact O-N 3.4Å; A71-A74 PolarHBondContact O-N 2.91Å; A74-A77 PolarHBondContact O-N 3.17Å; A74-A78 WeakPolarHBondContact O-CB 3.28Å; A74-A78 PolarHBondContact O-N 2.93Å |
| 75 | A | 56.7 | Low | 55.9 | Low | 63 Ų | 63 | 89.4 Ų | 89.4 | 52% | 0.521 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -68.3 | -39.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A71 A72 A78 A79 | A71-A75 WeakPolarHBondContact O-CB 3.43Å; A71-A75 PolarHBondContact O-N 3.32Å; A72-A75 PolarHBondContact O-N 3.39Å; A75-A78 PolarHBondContact O-N 3.39Å; A75-A79 WeakPolarHBondContact O-CB 3.37Å; A75-A79 PolarHBondContact O-N 3.25Å |
| 76 | A | 59.4 | Low | 56.7 | Low | 63 Ų | 63 | 84.2 Ų | 84.2 | 52% | 0.521 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.4 | -39 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A72 A79 A80 | A72-A76 WeakPolarHBondContact O-CB 3.37Å; A72-A76 PolarHBondContact O-N 3.11Å; A76-A79 PolarHBondContact O-N 2.93Å; A76-A80 WeakPolarHBondContact O-CB 3.34Å; A76-A80 PolarHBondContact O-N 3.19Å |
| 77 | A | 60.1 | Low | 56.6 | Low | 61 Ų | 61 | 88.3 Ų | 88.3 | 50% | 0.504 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.6 | -37.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A73 A74 A80 A81 | A73-A77 WeakPolarHBondContact O-CB 3.25Å; A73-A77 PolarHBondContact O-N 2.98Å; A74-A77 PolarHBondContact O-N 3.17Å; A77-A80 PolarHBondContact O-N 3.4Å; A77-A81 PolarHBondContact O-N 3.4Å |
| 78 | A | 58.3 | Low | 56.5 | Low | 58 Ų | 58 | 91.5 Ų | 91.5 | 48% | 0.479 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -67.7 | -40.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A74 A75 A81 V82 | A74-A78 WeakPolarHBondContact O-CB 3.28Å; A74-A78 PolarHBondContact O-N 2.93Å; A75-A78 PolarHBondContact O-N 3.39Å; A78-A81 PolarHBondContact O-N 3.33Å; A78-V82 PolarHBondContact O-N 3.02Å |
| 79 | A | 58.5 | Low | 56.7 | Low | 65 Ų | 65 | 84.1 Ų | 84.1 | 54% | 0.537 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.8 | -38.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A75 A76 A81 V82 A83 | A75-A79 WeakPolarHBondContact O-CB 3.37Å; A75-A79 PolarHBondContact O-N 3.25Å; A76-A79 PolarHBondContact O-N 2.93Å; A79-A81 VanDerWaalsContact C-N 3.35Å; A79-V82 PolarHBondContact O-N 3.33Å; A79-A83 PolarHBondContact O-N 3.22Å |
| 80 | A | 59.7 | Low | 57.1 | Low | 57 Ų | 57 | 88.1 Ų | 88.1 | 47% | 0.471 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -67.8 | -32 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A76 A77 A83 T84 | A76-A80 WeakPolarHBondContact O-CB 3.34Å; A76-A80 PolarHBondContact O-N 3.19Å; A77-A80 PolarHBondContact O-N 3.4Å; A80-A83 PolarHBondContact O-N 3.19Å; A80-T84 PolarHBondContact O-N 3.06Å; A80-T84 PolarHBondContact O-OG1 2.78Å |
| 81 | A | 57.7 | Low | 56.9 | Low | 54 Ų | 54 | 85.2 Ų | 85.2 | 45% | 0.446 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.8 | -32.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A77 A78 A79 T84 N85 | A77-A81 PolarHBondContact O-N 3.4Å; A78-A81 PolarHBondContact O-N 3.33Å; A79-A81 VanDerWaalsContact C-N 3.35Å; A81-T84 WeakPolarHBondContact CA-OG1 3.35Å; A81-T84 PolarHBondContact O-OG1 3.5Å; A81-N85 PolarHBondContact O-N 3.45Å |
| 82 | V | 58.6 | Low | 57 | Low | 92 Ų | 92 | 90.8 Ų | 90.8 | 56% | 0.558 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -71.3 | -36.8 | 174.2 | 170.5 | 0 | 0 | 0 | 0 | 111.5 | A78 A79 T84 N85 | A78-V82 PolarHBondContact O-N 3.02Å; A79-V82 PolarHBondContact O-N 3.33Å; V82-T84 VanDerWaalsContact C-N 3.27Å; V82-T84 PolarHBondContact O-N 3.12Å; V82-N85 CarbonylContact O-C 3.56Å; V82-N85 PolarHBondContact O-N 3.37Å |
| 83 | A | 59.7 | Low | 57.3 | Low | 84 Ų | 84 | 92.8 Ų | 92.8 | 69% | 0.694 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -68.4 | -24.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A79 A80 | A79-A83 PolarHBondContact O-N 3.22Å; A80-A83 PolarHBondContact O-N 3.19Å |
| 84 | T | 61.4 | Low | 57.3 | Low | 104 Ų | 104 | 95.8 Ų | 95.8 | 64% | 0.638 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -93.3 | -9.8 | -179.5 | 41.9 | 0 | 0 | 0 | 0 | 113.8 | A80 A81 V82 | A80-T84 PolarHBondContact O-N 3.06Å; A80-T84 PolarHBondContact O-OG1 2.78Å; A81-T84 WeakPolarHBondContact CA-OG1 3.35Å; A81-T84 PolarHBondContact O-OG1 3.5Å; V82-T84 VanDerWaalsContact C-N 3.27Å; V82-T84 PolarHBondContact O-N 3.12Å |
| 85 | N | 53.7 | Low | 57.2 | Low | 107 Ų | 107 | 101.2 Ų | 101.2 | 57% | 0.572 | 65% | 0.652 | S | S | * | * | | | trans | -141.2 | 84.5 | 176 | -93 | -55.7 | 0 | 0 | 0 | 111.7 | A81 V82 M87 | A81-N85 PolarHBondContact O-N 3.45Å; V82-N85 CarbonylContact O-C 3.56Å; V82-N85 PolarHBondContact O-N 3.37Å; N85-M87 PolarHBondContact O-N 2.94Å |
| 86 | P | 58.9 | Low | 57 | Low | 107 Ų | 107 | 101.4 Ų | 101.4 | 70% | 0.695 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.9 | -6.4 | -179.2 | 26.9 | -34 | 0 | 0 | 0 | 114.2 | | |
| 87 | M | 51.8 | Low | 56.8 | Low | 178 Ų | 178 | 107 Ų | 107 | 88% | 0.877 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -12.1 | -176.8 | -146.1 | -169 | 177.2 | 0 | 0 | 114.6 | N85 | N85-M87 PolarHBondContact O-N 2.94Š|
| 88 | M | 56.1 | Low | 56.4 | Low | 173 Ų | 173 | 109.4 Ų | 109.4 | 85% | 0.852 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -94.6 | -6.4 | 176.7 | -81.9 | -105.8 | -164.8 | 0 | 0 | 113.7 | T90 | M88-T90 VanDerWaalsContact C-N 3.3Å; M88-T90 PolarHBondContact O-N 3.4Å |
| 89 | A | 53 | Low | 56 | Low | 72 Ų | 72 | 115.5 Ų | 115.5 | 60% | 0.595 | 71% | 0.707 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -9.9 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | G91 | A89-G91 VanDerWaalsContact C-N 3.32Å; A89-G91 PolarHBondContact O-N 2.85Å |
| 90 | T | 56.2 | Low | 55.8 | Low | 136 Ų | 136 | 120 Ų | 120 | 83% | 0.834 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | 13.3 | -171.6 | -33.6 | 0 | 0 | 0 | 0 | 114.1 | M88 | M88-T90 VanDerWaalsContact C-N 3.3Å; M88-T90 PolarHBondContact O-N 3.4Å |
| 91 | G | 52.5 | Low | 55.4 | Low | 60 Ų | 60 | 123.3 Ų | 123.3 | 62% | 0.619 | 74% | 0.735 | S | S | * | * | S | Bend | trans | -119.3 | -7.4 | -161.3 | 0 | 0 | 0 | 0 | 0 | 119.9 | A89 | A89-G91 VanDerWaalsContact C-N 3.32Å; A89-G91 PolarHBondContact O-N 2.85Å |
| 92 | M | 55.9 | Low | 55.1 | Low | 183 Ų | 183 | 126.7 Ų | 126.7 | 90% | 0.901 | 75% | 0.75 | S | S | * | * | | | trans | -131.5 | 117.4 | -174.9 | -60.9 | -150 | 93.7 | 0 | 0 | 113.5 | | |
| 93 | P | 60.6 | Low | 54.8 | Low | 102 Ų | 102 | 131 Ų | 131 | 66% | 0.662 | 77% | 0.767 | S | S | * | * | | | trans | -72.6 | 147.9 | 171.4 | 30.1 | -33.3 | 0 | 0 | 0 | 111.1 | M95 | P93-M95 PolarHBondContact O-N 2.9Š|
| 94 | P | 56.4 | Low | 54.3 | Low | 133 Ų | 133 | 134.4 Ų | 134.4 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | | | trans | -74.5 | 93.7 | 178.1 | 31.1 | -32.9 | 0 | 0 | 0 | 109.6 | G96 | P94-G96 PolarHBondContact O-N 3.4Š|
| 95 | M | 56.1 | Low | 53.5 | Low | 174 Ų | 174 | 137.7 Ų | 137.7 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | | | trans | -73.3 | 113.8 | 169.6 | -77.7 | -68.3 | -76.5 | 0 | 0 | 109 | P93 | P93-M95 PolarHBondContact O-N 2.9Š|
| 96 | G | 52.8 | Low | 53.4 | Low | 67 Ų | 67 | 137.8 Ų | 137.8 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 133.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | P94 | P94-G96 PolarHBondContact O-N 3.4Š|
| 97 | M | 55.3 | Low | 52.7 | Low | 181 Ų | 181 | 135.6 Ų | 135.6 | 89% | 0.892 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 126.4 | 167.7 | 51.7 | -163 | 142.1 | 0 | 0 | 111.3 | | |
| 98 | P | 52.2 | Low | 52.4 | Low | 111 Ų | 111 | 136.5 Ų | 136.5 | 72% | 0.721 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 124.3 | 166.5 | 29.7 | -28.9 | 0 | 0 | 0 | 109.5 | M100 | P98-M100 PolarHBondContact O-N 2.92Š|
| 99 | Q | 49.6 | Very low | 52.1 | Low | 186 Ų | 186 | 134 Ų | 134 | 87% | 0.869 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 118.8 | 176.3 | -178 | -179 | 2.2 | 0 | 0 | 110.8 | | |
| 100 | M | 53.2 | Low | 51.8 | Low | 159 Ų | 159 | 133.5 Ų | 133.5 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -91.8 | 136 | 167.4 | -33.6 | -70.4 | -90.2 | 0 | 0 | 108.1 | P98 T102 | P98-M100 PolarHBondContact O-N 2.92Å; M100-T102 PolarHBondContact O-N 3.34Å |
| 101 | P | 51.1 | Low | 51.3 | Low | 127 Ų | 127 | 136.4 Ų | 136.4 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 122.8 | -179 | -8.8 | 23.3 | 0 | 0 | 0 | 111.3 | M103 | P101-M103 PolarHBondContact O-N 3.34Š|
| 102 | T | 53.1 | Low | 51.1 | Low | 124 Ų | 124 | 138.3 Ų | 138.3 | 76% | 0.761 | 80% | 0.799 | S | S | * | * | | | trans | -66.8 | 111.1 | 167.5 | 168.1 | 0 | 0 | 0 | 0 | 109.6 | M100 Q104 | M100-T102 PolarHBondContact O-N 3.34Å; T102-Q104 PolarHBondContact O-N 2.79Å |
| 103 | M | 51.7 | Low | 51 | Low | 184 Ų | 184 | 133 Ų | 133 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | | | trans | -75.7 | 102.4 | 166.1 | -105.5 | -168.5 | 172 | 0 | 0 | 109.2 | P101 M105 | P101-M103 PolarHBondContact O-N 3.34Å; M103-M105 PolarHBondContact O-N 3.12Å |
| 104 | Q | 49.6 | Very low | 50.3 | Low | 154 Ų | 154 | 136.7 Ų | 136.7 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 116.1 | 167.8 | -172.1 | 75.2 | 23.2 | 0 | 0 | 110.2 | T102 | T102-Q104 PolarHBondContact O-N 2.79Š|
| 105 | M | 43.8 | Very low | 50.1 | Low | 173 Ų | 173 | 136.2 Ų | 136.2 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -101.2 | 121.2 | 163.8 | -74.6 | -65.5 | -84.7 | 0 | 0 | 109.6 | M103 | M103-M105 PolarHBondContact O-N 3.12Š|
| 106 | P | 50.8 | Low | 49.8 | Very low | 109 Ų | 109 | 132.1 Ų | 132.1 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 141.1 | -174.4 | -12.1 | 28.5 | 0 | 0 | 0 | 114.2 | | |
| 107 | G | 45.4 | Very low | 50 | Low | 61 Ų | 61 | 134.7 Ų | 134.7 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | | | trans | 83.5 | 130.3 | 150.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 108 | H | 45.8 | Very low | 49.8 | Very low | 197 Ų | 197 | 135.2 Ų | 135.2 | 91% | 0.912 | 78% | 0.782 | S | S | * | * | | | | -176 | 72.3 | 120.4 | -83.4 | 97.7 | 0 | 0 | 0 | 106.5 | | |
| 109 | S | 48.3 | Very low | 49.6 | Very low | 120 Ų | 120 | 132.9 Ų | 132.9 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | | | trans | -74 | 124.3 | 162.6 | 47.2 | 0 | 0 | 0 | 0 | 109.2 | | |
| 110 | G | 47 | Very low | 49.5 | Very low | 62 Ų | 62 | 131.8 Ų | 131.8 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | | | trans | 84.3 | 126.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 111 | H | 45.4 | Very low | 49.1 | Very low | 198 Ų | 198 | 134.2 Ų | 134.2 | 92% | 0.917 | 77% | 0.774 | S | S | * | * | | | | -167.6 | 116 | 119 | -99.4 | 70.9 | 0 | 0 | 0 | 108.4 | | |
| 112 | A | 48.7 | Very low | 49 | Very low | 100 Ų | 100 | 138.4 Ų | 138.4 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | | | trans | -61.3 | 147.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 113 | G | 54.4 | Low | 48.7 | Very low | 70 Ų | 70 | 141.8 Ų | 141.8 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | | | trans | 79.3 | 86.7 | 157.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 114 | H | 46.6 | Very low | 49.3 | Very low | 181 Ų | 181 | 138.4 Ų | 138.4 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | | | trans | -154 | 121 | 143.5 | -123.7 | -80.9 | 0 | 0 | 0 | 110.4 | S116 | H114-S116 PolarHBondContact O-N 3.37Š|
| 115 | P | 51.4 | Low | 49.8 | Very low | 122 Ų | 122 | 136 Ų | 136 | 79% | 0.792 | 76% | 0.762 | S | S | * | * | | | trans | -77 | 105 | 171.1 | 30.1 | -29.1 | 0 | 0 | 0 | 108.4 | | |
| 116 | S | 50 | Low | 50.2 | Low | 89 Ų | 89 | 137 Ų | 137 | 62% | 0.622 | 76% | 0.757 | S | S | * | * | | | trans | -77.8 | 128.2 | 170.8 | -171.2 | 0 | 0 | 0 | 0 | 109.7 | H114 Y118 | H114-S116 PolarHBondContact O-N 3.37Å; S116-Y118 PolarHBondContact O-N 3.24Å |
| 117 | P | 56.1 | Low | 50.8 | Low | 120 Ų | 120 | 139.8 Ų | 139.8 | 78% | 0.779 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 3.8 | -173.8 | 28.5 | -34 | 0 | 0 | 0 | 114.6 | | |
| 118 | Y | 52.2 | Low | 51.6 | Low | 193 Ų | 193 | 144.3 Ų | 144.3 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.6 | 4.1 | -176.5 | -78 | -84.2 | 0 | 0 | 0 | 114.8 | S116 | S116-Y118 PolarHBondContact O-N 3.24Š|
| 119 | G | 46.9 | Very low | 52.2 | Low | 61 Ų | 61 | 140.1 Ų | 140.1 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | | | trans | -86.6 | -2.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 120 | Q | 48.2 | Very low | 52.8 | Low | 163 Ų | 163 | 139 Ų | 139 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | -108.2 | 47 | -169.5 | -67 | -72.5 | 33.2 | 0 | 0 | 114.6 | | |
| 121 | Y | 44.1 | Very low | 53.2 | Low | 210 Ų | 210 | 147.4 Ų | 147.4 | 82% | 0.824 | 77% | 0.769 | S | S | * | * | | | trans | -100.7 | 68.3 | 159.8 | -67.7 | -76 | 0 | 0 | 0 | 109.7 | Y123 | Y121-Y123 PolarHBondContact O-N 3.17Å; Y121-Y123 VanDerWaalsContact O-N 3.12Å |
| 122 | R | 50 | Low | 53.9 | Low | 215 Ų | 215 | 143.8 Ų | 143.8 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | | | trans | -58.7 | 111.1 | 158.2 | -84.9 | -79.8 | -173 | -153.7 | -0.2 | 107.1 | T124 | R122-T124 PolarHBondContact O-N 3.23Š|
| 123 | Y | 46.8 | Very low | 54.6 | Low | 195 Ų | 195 | 142.7 Ų | 142.7 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | | | trans | -57 | 101.7 | 169.7 | -173 | -97.3 | 0 | 0 | 0 | 108.9 | Y121 P125 | Y121-Y123 PolarHBondContact O-N 3.17Å; Y121-Y123 VanDerWaalsContact O-N 3.12Å; Y123-P125 WeakPolarHBondContact O-CD 3.3Å |
| 124 | T | 63.5 | Low | 55.3 | Low | 113 Ų | 113 | 144.2 Ų | 144.2 | 69% | 0.693 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -77 | 117.5 | 167.5 | 44.5 | 0 | 0 | 0 | 0 | 107.1 | R122 Y126 | R122-T124 PolarHBondContact O-N 3.23Å; T124-Y126 PolarHBondContact O-N 3.39Å |
| 125 | P | 60.8 | Low | 56 | Low | 105 Ų | 105 | 141.8 Ų | 141.8 | 68% | 0.682 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 125.1 | 174.2 | 25 | -30.3 | 0 | 0 | 0 | 108 | Y123 H127 | Y123-P125 WeakPolarHBondContact O-CD 3.3Å; P125-H127 PolarHBondContact O-N 3.3Å |
| 126 | Y | 51.2 | Low | 56.5 | Low | 194 Ų | 194 | 143.8 Ų | 143.8 | 76% | 0.761 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 125.9 | 175.6 | -68.1 | -87.3 | 0 | 0 | 0 | 110.1 | T124 I128 | T124-Y126 PolarHBondContact O-N 3.39Å; Y126-I128 PolarHBondContact O-N 3.38Å |
| 127 | H | 63.9 | Low | 56.7 | Low | 167 Ų | 167 | 145.6 Ų | 145.6 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | | | trans | -67.5 | 115.7 | 169.2 | 57.1 | -73.6 | 0 | 0 | 0 | 107.8 | P125 P129 | P125-H127 PolarHBondContact O-N 3.3Å; H127-P129 WeakPolarHBondContact O-CD 3.4Å |
| 128 | I | 62 | Low | 56.4 | Low | 156 Ų | 156 | 145 Ų | 145 | 80% | 0.8 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 118.9 | 173.9 | -59.4 | 162.1 | 0 | 0 | 0 | 106.3 | Y126 A130 | Y126-I128 PolarHBondContact O-N 3.38Å; I128-A130 PolarHBondContact O-N 2.83Å |
| 129 | P | 59 | Low | 56.4 | Low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 128.7 | 173.7 | -21.1 | 33.3 | 0 | 0 | 0 | 109.9 | H127 R131 | H127-P129 WeakPolarHBondContact O-CD 3.4Å; P129-R131 PolarHBondContact O-N 3.32Å |
| 130 | A | 60.3 | Low | 56.7 | Low | 98 Ų | 98 | 141.7 Ų | 141.7 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 126.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | I128 | I128-A130 PolarHBondContact O-N 2.83Š|
| 131 | R | 55.3 | Low | 56.7 | Low | 237 Ų | 237 | 141 Ų | 141 | 89% | 0.894 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 132.9 | 176.3 | -146.8 | 176.1 | -158.9 | -119.1 | 3.4 | 108.6 | P129 A133 | P129-R131 PolarHBondContact O-N 3.32Å; R131-A133 PolarHBondContact O-N 3.47Å |
| 132 | P | 60.7 | Low | 56.9 | Low | 123 Ų | 123 | 140 Ų | 140 | 80% | 0.799 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 121.7 | 173.3 | -19.6 | 30.9 | 0 | 0 | 0 | 109.5 | | |
| 133 | A | 64 | Low | 56.6 | Low | 77 Ų | 77 | 137.4 Ų | 137.4 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 139.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | R131 | R131-A133 PolarHBondContact O-N 3.47Š|
| 134 | P | 67.9 | Low | 56.7 | Low | 102 Ų | 102 | 136.8 Ų | 136.8 | 66% | 0.662 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 147.4 | 172.1 | 28.1 | -32.2 | 0 | 0 | 0 | 110.3 | H136 | P134-H136 PolarHBondContact O-N 3.02Š|
| 135 | P | 62.4 | Low | 56.4 | Low | 129 Ų | 129 | 137.1 Ų | 137.1 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 121.9 | -179.8 | 26.3 | -32.6 | 0 | 0 | 0 | 110.4 | | |
| 136 | H | 60 | Low | 55.5 | Low | 164 Ų | 164 | 140.4 Ų | 140.4 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 132.2 | 170.3 | -54.2 | -88.2 | 0 | 0 | 0 | 108.9 | P134 A138 | P134-H136 PolarHBondContact O-N 3.02Å; H136-A138 PolarHBondContact O-N 3.28Å |
| 137 | P | 54.3 | Low | 55.4 | Low | 128 Ų | 128 | 140.5 Ų | 140.5 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 133.1 | 171.8 | 27.2 | -30.5 | 0 | 0 | 0 | 109.7 | G139 | P137-G139 PolarHBondContact O-N 3.29Š|
| 138 | A | 51.1 | Low | 54.4 | Low | 108 Ų | 108 | 141.2 Ų | 141.2 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 119 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | H136 | H136-A138 PolarHBondContact O-N 3.28Š|
| 139 | G | 52.1 | Low | 53.3 | Low | 63 Ų | 63 | 137.1 Ų | 137.1 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 154.6 | 157 | 0 | 0 | 0 | 0 | 0 | 110 | P137 | P137-G139 PolarHBondContact O-N 3.29Š|
| 140 | P | 52.8 | Low | 52.4 | Low | 121 Ų | 121 | 137.5 Ų | 137.5 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 139.9 | -165.2 | 29.7 | -33.2 | 0 | 0 | 0 | 112.8 | | |
| 141 | H | 49.3 | Very low | 51.6 | Low | 147 Ų | 147 | 138.7 Ų | 138.7 | 68% | 0.681 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 126.4 | 178.9 | 40.3 | -84 | 0 | 0 | 0 | 111.7 | H143 | H141-H143 AromaticContact CD2-CD2 3.84Å; H141-H143 AromaticContact CD2-NE2 3.44Å; H141-H143 PolarHBondContact CD2-NE2 2.75Å |
| 142 | M | 48 | Very low | 50.8 | Low | 190 Ų | 190 | 132 Ų | 132 | 94% | 0.936 | 80% | 0.795 | S | S | * | * | | | trans | -101.9 | 115.5 | 160.8 | -83.9 | -87.3 | 172.3 | 0 | 0 | 107.9 | | |
| 143 | H | 43.8 | Very low | 49.7 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 75% | 0.745 | 80% | 0.799 | S | S | * | * | | | trans | -65.8 | 134.7 | -176.4 | -71.3 | -113.6 | 0 | 0 | 0 | 111.9 | H141 | H141-H143 AromaticContact CD2-CD2 3.84Å; H141-H143 AromaticContact CD2-NE2 3.44Å; H141-H143 PolarHBondContact CD2-NE2 2.75Å |
| 144 | H | 48.2 | Very low | 48.4 | Very low | 181 Ų | 181 | 132.8 Ų | 132.8 | 84% | 0.838 | 81% | 0.805 | S | S | * | * | | | trans | -124.4 | 126.4 | 157.9 | -103 | 70.2 | 0 | 0 | 0 | 108 | | |
| 145 | P | 56.5 | Low | 46.9 | Very low | 121 Ų | 121 | 133.6 Ų | 133.6 | 79% | 0.786 | 81% | 0.813 | S | S | * | * | | | trans | -81.4 | 154.9 | -171.6 | 32.3 | -32.6 | 0 | 0 | 0 | 113.2 | | |
| 146 | H | 43.5 | Very low | 46.1 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 80% | 0.801 | 81% | 0.81 | S | S | * | * | | | trans | -56.7 | 144.3 | 179 | -67.4 | -103.6 | 0 | 0 | 0 | 115 | | |
| 147 | M | 47.4 | Very low | 45 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 97% | 0.97 | 82% | 0.816 | S | S | * | * | | | trans | -129.6 | 114.1 | 142 | -80.1 | -79.7 | 175.4 | 0 | 0 | 107.5 | | |
| 148 | M | 43.8 | Very low | 44.4 | Very low | 181 Ų | 181 | 134.7 Ų | 134.7 | 89% | 0.892 | 81% | 0.812 | S | S | * | * | | | trans | -95.7 | 141 | -179.9 | 174.3 | 161.9 | 153.5 | 0 | 0 | 108.7 | | |
| 149 | G | 39.5 | Very low | 43.8 | Very low | 70 Ų | 70 | 134.3 Ų | 134.3 | 72% | 0.722 | 81% | 0.809 | S | S | * | * | | | trans | -178 | 68.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 150 | S | 39.9 | Very low | 43.1 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | | | trans | 52.5 | 120.7 | 137.7 | -52.4 | 0 | 0 | 0 | 0 | 122.3 | | |
| 151 | S | 42.3 | Very low | 42.5 | Very low | 123 Ų | 123 | 134.6 Ų | 134.6 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | | | trans | -54.3 | 141.7 | 160.9 | 44.5 | 0 | 0 | 0 | 0 | 115.6 | | |
| 152 | A | 39.5 | Very low | 42.1 | Very low | 97 Ų | 97 | 132.3 Ų | 132.3 | 80% | 0.802 | 83% | 0.83 | S | S | * | * | | | trans | -152.3 | 132.2 | 151 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 153 | T | 37.9 | Very low | 41.7 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 87% | 0.865 | 82% | 0.823 | S | S | * | * | | | trans | -35.4 | 143.8 | 166.8 | 45.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 154 | G | 37 | Very low | 41.8 | Very low | 75 Ų | 75 | 127.6 Ų | 127.6 | 77% | 0.773 | 83% | 0.831 | S | S | * | * | | | | 82.3 | 141.4 | 122.5 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 155 | S | 35.8 | Very low | 41.6 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 83% | 0.832 | 83% | 0.834 | S | S | * | * | | | trans | 94.7 | 114.9 | 161.1 | -71.5 | 0 | 0 | 0 | 0 | 119.8 | | |
| 156 | S | 44.7 | Very low | 40.6 | Very low | 109 Ų | 109 | 125.1 Ų | 125.1 | 76% | 0.762 | 83% | 0.834 | S | S | * | * | | | trans | -47.6 | 141 | 158.8 | 45.3 | 0 | 0 | 0 | 0 | 116 | | |
| 157 | Y | 38.1 | Very low | 40.4 | Very low | 226 Ų | 226 | 121.6 Ų | 121.6 | 89% | 0.886 | 84% | 0.835 | S | S | * | * | | | trans | -162 | 157.5 | 133.6 | 52.6 | -93.2 | 0 | 0 | 0 | 111.3 | | |
| 158 | S | 40.4 | Very low | 40.4 | Very low | 108 Ų | 108 | 120.4 Ų | 120.4 | 76% | 0.755 | 83% | 0.832 | S | S | * | * | | | trans | -85.3 | 162.6 | -171.8 | 178 | 0 | 0 | 0 | 0 | 113.2 | | |
| 159 | A | 39.5 | Very low | 40.6 | Very low | 101 Ų | 101 | 117.8 Ų | 117.8 | 84% | 0.835 | 83% | 0.829 | S | S | * | * | | | trans | 73.6 | 134.5 | 151.3 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 160 | G | 36.5 | Very low | 40.7 | Very low | 80 Ų | 80 | 119.7 Ų | 119.7 | 83% | 0.825 | 83% | 0.831 | S | S | * | * | | | trans | 160.9 | 89.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 161 | A | 41.8 | Very low | 40.6 | Very low | 109 Ų | 109 | 118.8 Ų | 118.8 | 90% | 0.901 | 83% | 0.831 | S | S | * | * | | | trans | -75.4 | 129.3 | 165 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 162 | A | 39 | Very low | 40.5 | Very low | 100 Ų | 100 | 118.9 Ų | 118.9 | 83% | 0.826 | 83% | 0.826 | S | S | * | * | | | trans | 172.2 | 120.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | | |
| 163 | G | 40.5 | Very low | 40.1 | Very low | 76 Ų | 76 | 120.1 Ų | 120.1 | 78% | 0.784 | 83% | 0.827 | S | S | * | * | | | | 99.4 | 98.8 | 62.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | | |
| 164 | L | 46.9 | Very low | 40.2 | Very low | 175 Ų | 175 | 123.4 Ų | 123.4 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | | | trans | -148.9 | 92.1 | 165.1 | -100.3 | 168.5 | 0 | 0 | 0 | 110.7 | | |
| 165 | L | 42.3 | Very low | 40.2 | Very low | 174 Ų | 174 | 126.5 Ų | 126.5 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | | | trans | -69.2 | 148.7 | 155.6 | -73.9 | 159.6 | 0 | 0 | 0 | 109.8 | | |
| 166 | G | 35.9 | Very low | 40.2 | Very low | 76 Ų | 76 | 124.1 Ų | 124.1 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | | | trans | 89.8 | 135.4 | 166.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 167 | A | 40.7 | Very low | 39.9 | Very low | 99 Ų | 99 | 127.9 Ų | 127.9 | 82% | 0.818 | 83% | 0.834 | S | S | * | * | | | cis | -156.7 | 143.5 | 25.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 168 | L | 47.2 | Very low | 39.7 | Very low | 172 Ų | 172 | 120.5 Ų | 120.5 | 90% | 0.901 | 83% | 0.827 | S | S | * | * | | | trans | -73.8 | 152.9 | 159.9 | -65.8 | 157.8 | 0 | 0 | 0 | 109.1 | | |
| 169 | P | 48.2 | Very low | 39.7 | Very low | 127 Ų | 127 | 122.5 Ų | 122.5 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | | | trans | -110.3 | 112.8 | 142.1 | 27.3 | -18.2 | 0 | 0 | 0 | 110.1 | | |
| 170 | S | 39.6 | Very low | 39.6 | Very low | 109 Ų | 109 | 120.8 Ų | 120.8 | 76% | 0.762 | 83% | 0.826 | S | S | * | * | | | trans | -65.8 | 134.4 | 157.8 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | | |
| 171 | A | 37.9 | Very low | 40 | Very low | 99 Ų | 99 | 123.7 Ų | 123.7 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | | | trans | -145.7 | 75.9 | 163 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 172 | T | 40.3 | Very low | 40.6 | Very low | 125 Ų | 125 | 123.6 Ų | 123.6 | 77% | 0.767 | 82% | 0.818 | S | S | * | * | | | trans | -71.3 | 118.7 | 154.8 | -63.3 | 0 | 0 | 0 | 0 | 108.3 | | |
| 173 | C | 32.8 | Very low | 40.4 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | | | trans | -139.9 | 121.3 | 154.6 | 60.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 174 | Y | 39.8 | Very low | 40.2 | Very low | 210 Ų | 210 | 129.4 Ų | 129.4 | 82% | 0.824 | 81% | 0.813 | S | S | * | * | | | trans | -119.2 | 149.2 | 172.4 | -118.2 | -79.3 | 0 | 0 | 0 | 107.5 | | |
| 175 | T | 36.1 | Very low | 39.6 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | | | trans | 73.4 | 136 | 166.1 | 69.3 | 0 | 0 | 0 | 0 | 116.7 | | |
| 176 | G | 35.1 | Very low | 39.6 | Very low | 70 Ų | 70 | 128 Ų | 128 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | | | cis | 157 | 134.7 | 1.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 177 | L | 39.8 | Very low | 41.1 | Very low | 187 Ų | 187 | 129.8 Ų | 129.8 | 98% | 0.979 | 81% | 0.805 | S | S | * | * | | | trans | -155.8 | 125.7 | 159.7 | -94.5 | 178.6 | 0 | 0 | 0 | 108.8 | | |
| 178 | G | 33.9 | Very low | 41.7 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | trans | -98.7 | 169.4 | -168.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | | |
| 179 | V | 40.2 | Very low | 42.1 | Very low | 150 Ų | 150 | 129.8 Ų | 129.8 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -139.6 | 119.7 | 153.9 | 176 | 0 | 0 | 0 | 0 | 106.5 | | |
| 180 | G | 36.2 | Very low | 41.5 | Very low | 64 Ų | 64 | 131.5 Ų | 131.5 | 66% | 0.66 | 80% | 0.799 | S | S | * | * | | | trans | -73.2 | 175.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 181 | V | 46 | Very low | 42 | Very low | 141 Ų | 141 | 133.3 Ų | 133.3 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | | | cis | 164.6 | 167.3 | 24.5 | 129.1 | 0 | 0 | 0 | 0 | 104.3 | | |
| 182 | P | 54.7 | Low | 42 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | | | cis | -139.7 | 169.1 | -29.2 | 36.6 | -17.3 | 0 | 0 | 0 | 115.2 | | |
| 183 | K | 34.9 | Very low | 41.9 | Very low | 180 Ų | 180 | 137 Ų | 137 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | | 171.3 | 127.9 | 114.3 | -110.8 | -165 | 153.5 | 82.4 | 0 | 113.3 | | |
| 184 | T | 35.8 | Very low | 42.2 | Very low | 119 Ų | 119 | 136.9 Ų | 136.9 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | | | trans | 61.2 | 132.8 | 144.1 | 58.2 | 0 | 0 | 0 | 0 | 118.8 | | |
| 185 | Q | 35.2 | Very low | 42.1 | Very low | 185 Ų | 185 | 132 Ų | 132 | 86% | 0.864 | 80% | 0.801 | S | S | * | * | | | cis | -172.9 | 153.7 | 12.3 | 177.7 | 172.2 | 4.3 | 0 | 0 | 107.8 | | |
| 186 | T | 41.1 | Very low | 42.3 | Very low | 134 Ų | 134 | 130.5 Ų | 130.5 | 82% | 0.822 | 80% | 0.797 | S | S | * | * | | | trans | -78.5 | 168.1 | -170.6 | 31.2 | 0 | 0 | 0 | 0 | 116.6 | | |
| 187 | P | 68.6 | Low | 42.8 | Very low | 114 Ų | 114 | 132 Ų | 132 | 74% | 0.74 | 79% | 0.794 | S | S | * | * | | | trans | -98.6 | -175.1 | -161.3 | 42.3 | -35.3 | 0 | 0 | 0 | 113.9 | | |
| 188 | P | 53.5 | Low | 42.8 | Very low | 116 Ų | 116 | 131.9 Ų | 131.9 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | | | | -154.5 | 170 | 93.3 | 38.4 | -17.6 | 0 | 0 | 0 | 117.7 | | |
| 189 | L | 55.7 | Low | 43 | Very low | 154 Ų | 154 | 133.7 Ų | 133.7 | 81% | 0.806 | 79% | 0.789 | S | S | * | * | | | trans | -51.6 | 142.7 | 155.6 | -96.9 | 65.7 | 0 | 0 | 0 | 111.3 | | |
| 190 | D | 35.2 | Very low | 42.9 | Very low | 163 Ų | 163 | 132.2 Ų | 132.2 | 87% | 0.872 | 79% | 0.785 | S | S | * | * | | | trans | -142.2 | 126 | 147.6 | -101.1 | -42 | 0 | 0 | 0 | 111.5 | | |
| 191 | L | 48.7 | Very low | 43 | Very low | 148 Ų | 148 | 135 Ų | 135 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | | | trans | -87 | 151 | 163.8 | -79.4 | 155.2 | 0 | 0 | 0 | 107.9 | | |
| 192 | Q | 39.2 | Very low | 42.8 | Very low | 186 Ų | 186 | 136.8 Ų | 136.8 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | | | trans | 99.6 | 95.6 | 159.7 | -51.2 | -170.5 | -68.9 | 0 | 0 | 118.8 | | |
| 193 | S | 37.9 | Very low | 42.4 | Very low | 114 Ų | 114 | 136 Ų | 136 | 80% | 0.797 | 79% | 0.791 | S | S | * | * | | | | 53.1 | 131.9 | 119.7 | -59 | 0 | 0 | 0 | 0 | 124.2 | | |
| 194 | S | 39.9 | Very low | 42.8 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | | | trans | 86 | 107.3 | 146.1 | -73.4 | 0 | 0 | 0 | 0 | 120.1 | | |
| 195 | S | 36.1 | Very low | 42.9 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | | | | 166.5 | 102.9 | 116.2 | 177.6 | 0 | 0 | 0 | 0 | 113.1 | | |
| 196 | S | 40.1 | Very low | 43.4 | Very low | 108 Ų | 108 | 132.6 Ų | 132.6 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | | | trans | 67.5 | 170.9 | 139.7 | 81.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 197 | P | 47.3 | Very low | 43.5 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | | | | -113 | 155.2 | -107.7 | 28.8 | -9.7 | 0 | 0 | 0 | 112.2 | | |
| 198 | H | 39.9 | Very low | 41.9 | Very low | 185 Ų | 185 | 130.3 Ų | 130.3 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | 169.7 | 145.3 | 142.7 | -95.9 | 76 | 0 | 0 | 0 | 110.1 | | |
| 199 | S | 36.9 | Very low | 41.3 | Very low | 109 Ų | 109 | 130 Ų | 130 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | | | trans | 84.8 | 86.3 | 169.9 | -51.2 | 0 | 0 | 0 | 0 | 115 | | |
| 200 | S | 38.1 | Very low | 40.5 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 83% | 0.832 | 79% | 0.788 | S | S | * | * | | | | 108.7 | 104.8 | 70 | -83.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 201 | T | 38.8 | Very low | 40.7 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 76% | 0.761 | 79% | 0.787 | S | S | * | * | | | trans | -80.5 | 123.9 | -176 | 65 | 0 | 0 | 0 | 0 | 110.1 | | |
| 202 | L | 41.8 | Very low | 40.2 | Very low | 178 Ų | 178 | 126 Ų | 126 | 93% | 0.932 | 78% | 0.777 | S | S | * | * | | | trans | -113.7 | 76.5 | 159.4 | -88 | 167.8 | 0 | 0 | 0 | 108.7 | | |
| 203 | S | 45.6 | Very low | 40.2 | Very low | 91 Ų | 91 | 126.1 Ų | 126.1 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | trans | -133.6 | 98.2 | 168.1 | 53.4 | 0 | 0 | 0 | 0 | 107.4 | | |
| 204 | L | 42.6 | Very low | 40.4 | Very low | 166 Ų | 166 | 126 Ų | 126 | 87% | 0.869 | 77% | 0.77 | S | S | * | * | | | trans | -114.2 | 91.9 | 168.8 | -68.3 | 177.1 | 0 | 0 | 0 | 108.5 | | |
| 205 | S | 38.9 | Very low | 40.2 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | | | trans | -74.5 | 135.2 | 148.6 | -61.1 | 0 | 0 | 0 | 0 | 108 | | |
| 206 | P | 46.1 | Very low | 40 | Very low | 135 Ų | 135 | 129.4 Ų | 129.4 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | | | trans | -100.3 | 106.3 | 162.4 | 10.1 | 9.6 | 0 | 0 | 0 | 109 | | |
| 207 | V | 41.8 | Very low | 39.8 | Very low | 138 Ų | 138 | 134.6 Ų | 134.6 | 84% | 0.836 | 76% | 0.764 | S | S | * | * | | | trans | -119.8 | 130.4 | 160 | 63.5 | 0 | 0 | 0 | 0 | 108.5 | | |
| 208 | G | 36.3 | Very low | 39.4 | Very low | 62 Ų | 62 | 135 Ų | 135 | 64% | 0.639 | 77% | 0.77 | S | S | * | * | | | trans | 91.9 | 93.6 | 140.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 209 | S | 39.6 | Very low | 40.2 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 78% | 0.776 | 76% | 0.764 | S | S | * | * | | | | 85 | 124.1 | 112.9 | -65.8 | 0 | 0 | 0 | 0 | 122.4 | | |
| 210 | D | 39.1 | Very low | 40 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 68% | 0.684 | 76% | 0.762 | S | S | * | * | | | trans | 76.6 | 115.9 | 134.3 | -86.7 | -77.9 | 0 | 0 | 0 | 120.8 | | |
| 211 | H | 39.3 | Very low | 39.8 | Very low | 182 Ų | 182 | 131.8 Ų | 131.8 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | | -164.3 | 129.3 | 92.3 | -113 | -91.5 | 0 | 0 | 0 | 114.1 | | |
| 212 | A | 37.8 | Very low | 39.6 | Very low | 69 Ų | 69 | 134.4 Ų | 134.4 | 57% | 0.57 | 76% | 0.759 | S | S | * | * | | | trans | -17.1 | 160.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 123.5 | | |
| 213 | K | 40.5 | Very low | 39.2 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | | | trans | 105.7 | 131.8 | 148.1 | -56.7 | -159.4 | -172.3 | -174.3 | 0 | 114.1 | | |
| 214 | V | 41.5 | Very low | 38.8 | Very low | 113 Ų | 113 | 131.9 Ų | 131.9 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | cis | -172.1 | 142.9 | 8.7 | -97.8 | 0 | 0 | 0 | 0 | 107.1 | | |
| 215 | F | 35.4 | Very low | 39 | Very low | 187 Ų | 187 | 130 Ų | 130 | 82% | 0.82 | 76% | 0.759 | S | S | * | * | | | trans | 59.7 | 135 | 141.8 | -81.9 | -98.1 | 0 | 0 | 0 | 124.5 | | |
| 216 | D | 33.4 | Very low | 38.8 | Very low | 112 Ų | 112 | 130.4 Ų | 130.4 | 60% | 0.599 | 76% | 0.762 | S | S | * | * | | | trans | 91.6 | 103.8 | 134.8 | -105.4 | -126.8 | 0 | 0 | 0 | 121.9 | | |
| 217 | R | 36 | Very low | 38.8 | Very low | 218 Ų | 218 | 129.6 Ų | 129.6 | 82% | 0.823 | 76% | 0.755 | S | S | * | * | | | | 64.1 | 108 | 107.2 | -149.8 | 173.6 | -178.1 | -165.3 | -1.3 | 117.3 | | |
| 218 | S | 37.4 | Very low | 39 | Very low | 110 Ų | 110 | 129.1 Ų | 129.1 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | -62.3 | 158.1 | 150.2 | -54.9 | 0 | 0 | 0 | 0 | 109.7 | | |
| 219 | P | 56.3 | Low | 39.2 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 75% | 0.751 | S | S | * | * | | | cis | -145.8 | -166.2 | 27.2 | 36.5 | -11.8 | 0 | 0 | 0 | 115.3 | | |
| 220 | V | 34.6 | Very low | 39.6 | Very low | 118 Ų | 118 | 130.5 Ų | 130.5 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | | | trans | 94.7 | 102.2 | 151.4 | 165.5 | 0 | 0 | 0 | 0 | 120.6 | | |
| 221 | T | 32.5 | Very low | 39.6 | Very low | 112 Ų | 112 | 128.4 Ų | 128.4 | 69% | 0.687 | 76% | 0.755 | S | S | * | * | | | | 81.7 | 138 | 123.5 | 72.3 | 0 | 0 | 0 | 0 | 126.2 | | |
| 222 | Q | 35.7 | Very low | 40.3 | Very low | 178 Ų | 178 | 125 Ų | 125 | 83% | 0.832 | 75% | 0.75 | S | S | * | * | | | trans | 92.8 | 105.8 | 146 | -47.1 | -160.9 | -13.4 | 0 | 0 | 120.2 | | |
| 223 | S | 32.7 | Very low | 40 | Very low | 125 Ų | 125 | 129.5 Ų | 129.5 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | | | | -177.3 | 120.2 | 91.8 | 41.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 224 | A | 37.8 | Very low | 39.8 | Very low | 91 Ų | 91 | 126.6 Ų | 126.6 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | | | trans | -95.3 | 168.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | | |
| 225 | P | 45.6 | Very low | 39.5 | Very low | 127 Ų | 127 | 127.2 Ų | 127.2 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | | -150.3 | 143.6 | 64.8 | 36.2 | -15.2 | 0 | 0 | 0 | 115.9 | | |
| 226 | S | 34.8 | Very low | 39.5 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | | | trans | -159.8 | 99.3 | 136.2 | 58.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 227 | V | 47.9 | Very low | 39.7 | Very low | 118 Ų | 118 | 123.8 Ų | 123.8 | 72% | 0.715 | 77% | 0.769 | S | S | * | * | | | trans | -119.7 | 150.7 | 161.9 | -159.1 | 0 | 0 | 0 | 0 | 104.9 | A229 | V227-A229 HydrophobicContact CG1-CB 4.29Š|
| 228 | P | 45.1 | Very low | 40.2 | Very low | 128 Ų | 128 | 119 Ų | 119 | 83% | 0.831 | 77% | 0.767 | S | S | * | * | | | | -136.2 | 136.9 | 87.3 | 21.7 | -1 | 0 | 0 | 0 | 113.3 | | |
| 229 | A | 41.3 | Very low | 40.4 | Very low | 70 Ų | 70 | 121.4 Ų | 121.4 | 58% | 0.579 | 77% | 0.77 | S | S | * | * | | | trans | -74.9 | 178.4 | 157 | 0 | 0 | 0 | 0 | 0 | 109 | V227 | V227-A229 HydrophobicContact CG1-CB 4.29Š|
| 230 | P | 47.6 | Very low | 40.1 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 85% | 0.851 | 77% | 0.77 | S | S | * | * | | | | -139 | 150.1 | 83.9 | 26.2 | -6 | 0 | 0 | 0 | 114.3 | | |
| 231 | A | 38.2 | Very low | 40.4 | Very low | 84 Ų | 84 | 120 Ų | 120 | 69% | 0.694 | 77% | 0.77 | S | S | * | * | | | trans | -79.3 | -152.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 232 | P | 53.7 | Low | 41.1 | Very low | 112 Ų | 112 | 120.8 Ų | 120.8 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | | | cis | -126.6 | -166.9 | -32.1 | 22.2 | 1.7 | 0 | 0 | 0 | 109.1 | | |
| 233 | L | 31.2 | Very low | 41.3 | Very low | 163 Ų | 163 | 115.8 Ų | 115.8 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | | | | 179.4 | 117.4 | 125.5 | -89 | 177.6 | 0 | 0 | 0 | 110.1 | | |
| 234 | T | 37.5 | Very low | 41.7 | Very low | 127 Ų | 127 | 118.4 Ų | 118.4 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | trans | -63.2 | 144.6 | 151.3 | 42.3 | 0 | 0 | 0 | 0 | 110.1 | | |
| 235 | T | 35.4 | Very low | 41.9 | Very low | 127 Ų | 127 | 121.8 Ų | 121.8 | 78% | 0.779 | 78% | 0.781 | S | S | * | * | | | trans | 143.1 | 141.9 | 134.4 | -151.9 | 0 | 0 | 0 | 0 | 113.8 | | |
| 236 | T | 34.3 | Very low | 41.7 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 69% | 0.687 | 79% | 0.786 | S | S | * | * | | | trans | 78.6 | 110.6 | 143.9 | -53.1 | 0 | 0 | 0 | 0 | 119.6 | | |
| 237 | S | 38.2 | Very low | 42.6 | Very low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | trans | -49.3 | 144 | 150.3 | -76 | 0 | 0 | 0 | 0 | 111.4 | | |
| 238 | P | 47.4 | Very low | 42.1 | Very low | 119 Ų | 119 | 123.7 Ų | 123.7 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | | -149.3 | 157 | 86.1 | 32.5 | -11.2 | 0 | 0 | 0 | 116.3 | | |
| 239 | L | 41.3 | Very low | 41.9 | Very low | 160 Ų | 160 | 121.7 Ų | 121.7 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | | | trans | -32.8 | 162.9 | 160.2 | -80.4 | 139.2 | 0 | 0 | 0 | 115.5 | | |
| 240 | P | 48.3 | Very low | 41.7 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | cis | -155.5 | 149.8 | 49.8 | 38.6 | -15.2 | 0 | 0 | 0 | 120.7 | | |
| 241 | A | 41.9 | Very low | 41.3 | Very low | 87 Ų | 87 | 133.4 Ų | 133.4 | 72% | 0.719 | 79% | 0.794 | S | S | * | * | | | trans | 65.1 | 169.1 | 137.6 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 242 | P | 47.8 | Very low | 41.6 | Very low | 129 Ų | 129 | 135.1 Ų | 135.1 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | cis | -128 | 148.5 | -7.7 | 34.9 | -17.6 | 0 | 0 | 0 | 113.6 | | |
| 243 | G | 39.3 | Very low | 40.8 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 80% | 0.798 | S | S | * | * | S | Bend | trans | 169.9 | 87.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 244 | L | 41 | Very low | 41.2 | Very low | 181 Ų | 181 | 131.4 Ų | 131.4 | 95% | 0.948 | 79% | 0.794 | S | S | * | * | | | trans | 68.4 | 74.1 | 171.6 | -77.3 | 100.7 | 0 | 0 | 0 | 117.6 | | |
| 245 | L | 41.5 | Very low | 41.1 | Very low | 161 Ų | 161 | 131.5 Ų | 131.5 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | | | trans | -82.6 | 135.8 | 138 | -74.4 | 164 | 0 | 0 | 0 | 108.2 | | |
| 246 | M | 42.8 | Very low | 41.5 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 93% | 0.926 | 79% | 0.787 | S | S | * | * | | | | -146.8 | 123.9 | 126.3 | -81.2 | -128.6 | 101.5 | 0 | 0 | 110.5 | | |
| 247 | P | 52.7 | Low | 41.8 | Very low | 104 Ų | 104 | 132 Ų | 132 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | | | trans | -101.5 | 153.5 | 169 | 37.8 | -29.2 | 0 | 0 | 0 | 110.9 | | |
| 248 | S | 37.9 | Very low | 42.5 | Very low | 113 Ų | 113 | 132 Ų | 132 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | | | trans | -177.8 | 108.7 | 151.1 | -150.9 | 0 | 0 | 0 | 0 | 108.5 | | |
| 249 | A | 40.1 | Very low | 43.2 | Very low | 85 Ų | 85 | 131.7 Ų | 131.7 | 70% | 0.702 | 78% | 0.784 | S | S | * | * | | | | 64.3 | 117.3 | 73.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 250 | K | 36.8 | Very low | 43.5 | Very low | 211 Ų | 211 | 129.6 Ų | 129.6 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | | | trans | 67.4 | 120.9 | 145.2 | -92.6 | 173.6 | 170.2 | 176.2 | 0 | 121.1 | | |
| 251 | R | 39.8 | Very low | 43.3 | Very low | 237 Ų | 237 | 129.9 Ų | 129.9 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | | | trans | -43.5 | 161.8 | 158.9 | -70.9 | 178.5 | -103.7 | -133.3 | -4.9 | 115.1 | | |
| 252 | P | 44.8 | Very low | 43.2 | Very low | 119 Ų | 119 | 131.6 Ų | 131.6 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | | | | -127.7 | 146.3 | 85.5 | 6.4 | 17.1 | 0 | 0 | 0 | 112.8 | | |
| 253 | A | 37.2 | Very low | 43.1 | Very low | 89 Ų | 89 | 130.5 Ų | 130.5 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | | | | 51.9 | 126.7 | 98 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 254 | S | 40.3 | Very low | 43.5 | Very low | 108 Ų | 108 | 133.8 Ų | 133.8 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | cis | -175.6 | 178.6 | 46.4 | 35.6 | 0 | 0 | 0 | 0 | 110.5 | | |
| 255 | D | 35.1 | Very low | 43.8 | Very low | 130 Ų | 130 | 132.1 Ų | 132.1 | 70% | 0.695 | 77% | 0.768 | S | S | * | * | | | trans | 85.9 | 85.7 | 165.2 | -76.9 | -39.4 | 0 | 0 | 0 | 119.6 | | |
| 256 | M | 43.3 | Very low | 44 | Very low | 147 Ų | 147 | 128.4 Ų | 128.4 | 72% | 0.724 | 76% | 0.761 | S | S | * | * | | | | -178.3 | 106.5 | 83.1 | -101.7 | -69.6 | 112.9 | 0 | 0 | 111.8 | | |
| 257 | S | 41.2 | Very low | 44.2 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | | | trans | 59.7 | 157.8 | 134.5 | -106.6 | 0 | 0 | 0 | 0 | 123.2 | | |
| 258 | P | 51.7 | Low | 44.2 | Very low | 114 Ų | 114 | 129.1 Ų | 129.1 | 74% | 0.74 | 76% | 0.763 | S | S | * | * | | | | -127.3 | -173.7 | -117.1 | 28 | -1 | 0 | 0 | 0 | 113.5 | | |
| 259 | P | 61.5 | Low | 44.9 | Very low | 113 Ų | 113 | 132.9 Ų | 132.9 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | | | trans | -101.3 | -171.3 | -155.1 | 42.7 | -35.4 | 0 | 0 | 0 | 113.8 | | |
| 260 | P | 48 | Very low | 45.7 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | | | | -144.1 | 144.7 | 89.9 | 24.1 | -1.2 | 0 | 0 | 0 | 116.3 | | |
| 261 | T | 44 | Very low | 46.9 | Very low | 122 Ų | 122 | 134 Ų | 134 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | | | trans | 39.3 | 125.2 | 132.8 | -10.1 | 0 | 0 | 0 | 0 | 119.9 | | |
| 262 | T | 41.3 | Very low | 48 | Very low | 123 Ų | 123 | 130.4 Ų | 130.4 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | | -178.6 | 106.5 | 127.8 | -76.3 | 0 | 0 | 0 | 0 | 111.3 | | |
| 263 | T | 44.4 | Very low | 48.7 | Very low | 107 Ų | 107 | 133.5 Ų | 133.5 | 66% | 0.656 | 77% | 0.766 | S | S | * | * | | | | 61.9 | 114.1 | 122.7 | -41.9 | 0 | 0 | 0 | 0 | 120.6 | I265 | T263-I265 HydrophobicContact CG2-CG1 4.22Å; T263-I265 PolarHBondContact O-N 3.23Å |
| 264 | V | 47.4 | Very low | 49.9 | Very low | 140 Ų | 140 | 137.9 Ų | 137.9 | 85% | 0.848 | 77% | 0.768 | S | S | * | * | | | trans | -38.1 | 116.7 | 151.2 | -178.8 | 0 | 0 | 0 | 0 | 111.7 | | |
| 265 | I | 48.1 | Very low | 50.9 | Low | 146 Ų | 146 | 138.4 Ų | 138.4 | 75% | 0.749 | 77% | 0.769 | S | S | * | * | | | trans | -134.4 | 111.8 | 163.3 | -61 | -179.4 | 0 | 0 | 0 | 109.4 | T263 | T263-I265 HydrophobicContact CG2-CG1 4.22Å; T263-I265 PolarHBondContact O-N 3.23Å |
| 266 | A | 46.3 | Very low | 51.4 | Low | 84 Ų | 84 | 142.2 Ų | 142.2 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | | | trans | -54.1 | 133.9 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111 | P268 | A266-P268 WeakPolarHBondContact O-CD 3.46Š|
| 267 | E | 46.1 | Very low | 52 | Low | 190 Ų | 190 | 144.9 Ų | 144.9 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | | | trans | -60.3 | 120.1 | 175.6 | -147.1 | 179.7 | -178.4 | 0 | 0 | 110 | K269 | E267-K269 PolarHBondContact O-N 3.2Š|
| 268 | P | 52.6 | Low | 52.5 | Low | 117 Ų | 117 | 146.6 Ų | 146.6 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | trans | -79.1 | 113.8 | -175.7 | 28.4 | -31.6 | 0 | 0 | 0 | 111.5 | A266 | A266-P268 WeakPolarHBondContact O-CD 3.46Š|
| 269 | K | 53.3 | Low | 52.4 | Low | 191 Ų | 191 | 150.4 Ų | 150.4 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | | | trans | -29.3 | 123.2 | 163.1 | -170.6 | 171.3 | -173.2 | 166.2 | 0 | 112.8 | E267 K271 | E267-K269 PolarHBondContact O-N 3.2Å; K269-K271 PolarHBondContact O-N 3.22Å |
| 270 | P | 57.4 | Low | 51.8 | Low | 124 Ų | 124 | 153.4 Ų | 153.4 | 81% | 0.805 | 83% | 0.831 | S | S | * | * | | | trans | -64.7 | 131.7 | 178.9 | 24.9 | -32.1 | 0 | 0 | 0 | 110.6 | L272 | P270-L272 PolarHBondContact O-N 2.94Š|
| 271 | K | 61.8 | Low | 52 | Low | 197 Ų | 197 | 155.3 Ų | 155.3 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | | | trans | -58.6 | 115.2 | -171.3 | -66.7 | 177.9 | -178.6 | 173 | 0 | 111.1 | K269 F273 | K269-K271 PolarHBondContact O-N 3.22Å; K271-F273 PolarHBondContact O-N 3.12Å; K271-F273 VanDerWaalsContact O-N 3.14Å |
| 272 | L | 62.2 | Low | 52.4 | Low | 161 Ų | 161 | 157.1 Ų | 157.1 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | | | trans | -50.7 | 110.7 | 163.8 | -174.8 | 63.3 | 0 | 0 | 0 | 108.8 | P270 K274 | P270-L272 PolarHBondContact O-N 2.94Å; L272-K274 PolarHBondContact O-N 3.05Å |
| 273 | F | 59.6 | Low | 53.1 | Low | 184 Ų | 184 | 158.9 Ų | 158.9 | 81% | 0.807 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 120.2 | 175.7 | -111.3 | -103.8 | 0 | 0 | 0 | 109.3 | K271 | K271-F273 PolarHBondContact O-N 3.12Å; K271-F273 VanDerWaalsContact O-N 3.14Å |
| 274 | K | 62.8 | Low | 53.6 | Low | 180 Ų | 180 | 162 Ų | 162 | 78% | 0.783 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 128.8 | 172.4 | -67.8 | 159.9 | 178.7 | 176.6 | 0 | 107.3 | L272 Y276 | L272-K274 PolarHBondContact O-N 3.05Å; K274-Y276 PolarHBondContact O-N 3.47Å |
| 275 | P | 61.6 | Low | 54 | Low | 119 Ų | 119 | 163.4 Ų | 163.4 | 77% | 0.773 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 128.3 | 169.8 | 26.9 | -30.9 | 0 | 0 | 0 | 108.4 | K277 | P275-K277 PolarHBondContact O-N 3.32Š|
| 276 | Y | 45.6 | Very low | 54.4 | Low | 211 Ų | 211 | 164.5 Ų | 164.5 | 83% | 0.827 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 121.2 | 171 | -69.7 | -88.3 | 0 | 0 | 0 | 108.4 | K274 T278 | K274-Y276 PolarHBondContact O-N 3.47Å; Y276-T278 PolarHBondContact O-N 3.44Å |
| 277 | K | 54.5 | Low | 54.9 | Low | 202 Ų | 202 | 170.3 Ų | 170.3 | 88% | 0.878 | 88% | 0.875 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 118.9 | 163.7 | -81.5 | 178.2 | 154.3 | -174.5 | 0 | 107.4 | P275 E279 | P275-K277 PolarHBondContact O-N 3.32Å; K277-E279 PolarHBondContact O-N 3.21Å |
| 278 | T | 51.9 | Low | 55.6 | Low | 138 Ų | 138 | 168.8 Ų | 168.8 | 85% | 0.847 | 87% | 0.874 | S | S | * | * | | | trans | -69.2 | 113.9 | 160 | -6.4 | 0 | 0 | 0 | 0 | 107 | Y276 | Y276-T278 PolarHBondContact O-N 3.44Š|
| 279 | E | 49.5 | Very low | 55.9 | Low | 195 Ų | 195 | 173.1 Ų | 173.1 | 91% | 0.911 | 88% | 0.884 | S | S | * | * | | | trans | -68.9 | 138.7 | 162.5 | -66.2 | -155 | 137.4 | 0 | 0 | 108.7 | K277 | K277-E279 PolarHBondContact O-N 3.21Š|
| 280 | A | 50.2 | Low | 56.1 | Low | 175 Ų | 175 | 171.5 Ų | 171.5 | 100% | 1.446 | 89% | 0.889 | S | S | * | * | | | trans | -123.8 | 0 | 169 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |