| 1 | M | 67.9 | Low | 91 | Very high | 214 Ų | 214 | 103 Ų | 103 | 100% | 1.054 | 55% | 0.552 | S | S | * | * | | | | 0 | 156.2 | 0 | -76.3 | 178.9 | 153.6 | 0 | 0 | 108.3 | T5 | M1-T5 HydrophobicContact CB-CG2 4.44Å; M1-T5 HydrophobicContact CE-CG2 4.4Å; M1-T5 HydrophobicContact CG-CG2 4.37Å; M1-T5 HydrophobicContact SD-CG2 4.35Å |
| 2 | S | 89.1 | Confident | 91.4 | Very high | 60 Ų | 60 | 106 Ų | 106 | 42% | 0.42 | 55% | 0.552 | S | S | . | * | | | trans | -76.9 | 163.4 | 170.2 | -158.7 | 0 | 0 | 0 | 0 | 110.3 | D4 T5 L6 | S2-D4 VanDerWaalsContact CB-OD2 3.26Å; S2-D4 WeakPolarHBondContact CB-OD2 3.4Å; S2-D4 PolarHBondContact O-N 3.49Å; S2-D4 PolarHBondContact OG-OD2 3.34Å; S2-T5 PolarHBondContact N-OG1 3.23Å; S2-T5 WeakPolarHBondContact O-CB 3.34Å; S2-T5 PolarHBondContact O-N 3.19Å; S2-L6 PolarHBondContact O-N 3.22Å |
| 3 | I | 90.6 | Very high | 91.8 | Very high | 121 Ų | 121 | 106.2 Ų | 106.2 | 62% | 0.621 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -62.3 | -36.3 | 170 | -168.5 | 166.4 | 0 | 0 | 0 | 110.8 | T5 L6 L7 | I3-T5 VanDerWaalsContact C-N 3.31Å; I3-T5 PolarHBondContact O-N 3.41Å; I3-L6 WeakPolarHBondContact O-CB 3.35Å; I3-L6 PolarHBondContact O-N 3.07Å; I3-L6 VanDerWaalsContact O-N 3.08Å; I3-L7 HydrophobicContact CG1-CD1 4.25Å; I3-L7 WeakPolarHBondContact O-CG 3.21Å; I3-L7 PolarHBondContact O-N 3.27Å |
| 4 | D | 90.8 | Very high | 91.9 | Very high | 101 Ų | 101 | 108.9 Ų | 108.9 | 54% | 0.54 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.2 | -40 | 176.8 | -32.5 | -80.5 | 0 | 0 | 0 | 111.1 | S2 L6 L7 E8 | S2-D4 VanDerWaalsContact CB-OD2 3.26Å; S2-D4 WeakPolarHBondContact CB-OD2 3.4Å; S2-D4 PolarHBondContact O-N 3.49Å; S2-D4 PolarHBondContact OG-OD2 3.34Å; D4-L6 VanDerWaalsContact C-N 3.26Å; D4-L6 PolarHBondContact O-N 3.24Å; D4-L7 PolarHBondContact O-N 3.13Å; D4-E8 WeakPolarHBondContact O-CB 3.35Å; D4-E8 PolarHBondContact O-N 2.95Å |
| 5 | T | 93.8 | Very high | 92.2 | Very high | 66 Ų | 66 | 110.5 Ų | 110.5 | 41% | 0.405 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.9 | -35.3 | 175.5 | -39.3 | 0 | 0 | 0 | 0 | 111.9 | M1 S2 I3 A9 | M1-T5 HydrophobicContact CB-CG2 4.44Å; M1-T5 HydrophobicContact CE-CG2 4.4Å; M1-T5 HydrophobicContact CG-CG2 4.37Å; M1-T5 HydrophobicContact SD-CG2 4.35Å; S2-T5 PolarHBondContact N-OG1 3.23Å; S2-T5 WeakPolarHBondContact O-CB 3.34Å; S2-T5 PolarHBondContact O-N 3.19Å; I3-T5 VanDerWaalsContact C-N 3.31Å; I3-T5 PolarHBondContact O-N 3.41Å; T5-A9 WeakPolarHBondContact O-CB 3.4Å; T5-A9 PolarHBondContact O-N 3.49Å; T5-A9 VanDerWaalsContact O-N 3.15Å |
| 6 | L | 95.4 | Very high | 92.3 | Very high | 121 Ų | 121 | 108.9 Ų | 108.9 | 63% | 0.634 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -77.2 | -37.7 | 178.5 | -173.6 | 63.9 | 0 | 0 | 0 | 111.7 | S2 I3 D4 A9 A10 | S2-L6 PolarHBondContact O-N 3.22Å; I3-L6 WeakPolarHBondContact O-CB 3.35Å; I3-L6 PolarHBondContact O-N 3.07Å; I3-L6 VanDerWaalsContact O-N 3.08Å; D4-L6 VanDerWaalsContact C-N 3.26Å; D4-L6 PolarHBondContact O-N 3.24Å; L6-A9 PolarHBondContact O-N 3.24Å; L6-A10 WeakPolarHBondContact O-CB 3.48Å; L6-A10 PolarHBondContact O-N 3.14Å |
| 7 | L | 95.1 | Very high | 92.3 | Very high | 102 Ų | 102 | 105.1 Ų | 105.1 | 53% | 0.534 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.7 | -39.1 | 175 | -68.8 | 170.3 | 0 | 0 | 0 | 112 | I3 D4 A10 R11 | I3-L7 HydrophobicContact CG1-CD1 4.25Å; I3-L7 WeakPolarHBondContact O-CG 3.21Å; I3-L7 PolarHBondContact O-N 3.27Å; D4-L7 PolarHBondContact O-N 3.13Å; L7-A10 PolarHBondContact O-N 3.44Å; L7-R11 WeakPolarHBondContact O-CB 3.43Å; L7-R11 PolarHBondContact O-N 2.98Å |
| 8 | E | 94.4 | Very high | 92.3 | Very high | 104 Ų | 104 | 105.9 Ų | 105.9 | 49% | 0.486 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.4 | -41.5 | 174.5 | -158.4 | 62.8 | -117.9 | 0 | 0 | 111.4 | D4 A10 R11 Y12 | D4-E8 WeakPolarHBondContact O-CB 3.35Å; D4-E8 PolarHBondContact O-N 2.95Å; E8-A10 PolarHBondContact O-N 2.87Å; E8-R11 PolarHBondContact O-N 3.29Å; E8-R11 IonicContact OE1-CZ 3.37Å; E8-R11 IonicContact OE1-NH1 2.8Å; E8-R11 PolarHBondContact OE1-NH1 2.91Å; E8-R11 IonicContact OE2-CZ 3.19Å; E8-R11 IonicContact OE2-NH1 2.68Å; E8-R11 PolarHBondContact OE2-NH1 2.8Å; E8-Y12 WeakPolarHBondContact O-CB 3.42Å; E8-Y12 PolarHBondContact O-N 3.25Å |
| 9 | A | 94.2 | Very high | 92.2 | Very high | 49 Ų | 49 | 104.9 Ų | 104.9 | 41% | 0.405 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.8 | -39.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T5 L6 Y12 L13 | T5-A9 WeakPolarHBondContact O-CB 3.4Å; T5-A9 PolarHBondContact O-N 3.49Å; T5-A9 VanDerWaalsContact O-N 3.15Å; L6-A9 PolarHBondContact O-N 3.24Å; A9-Y12 PolarHBondContact O-N 2.95Å; A9-L13 WeakPolarHBondContact O-CG 3.14Å; A9-L13 PolarHBondContact O-N 2.84Å |
| 10 | A | 95.3 | Very high | 91.9 | Very high | 54 Ų | 54 | 106.5 Ų | 106.5 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -63.8 | -45.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L6 L7 E8 Y12 L13 E14 | L6-A10 WeakPolarHBondContact O-CB 3.48Å; L6-A10 PolarHBondContact O-N 3.14Å; L7-A10 PolarHBondContact O-N 3.44Å; E8-A10 PolarHBondContact O-N 2.87Å; A10-Y12 VanDerWaalsContact C-N 3.32Å; A10-Y12 PolarHBondContact O-N 3.36Å; A10-L13 PolarHBondContact O-N 3.45Å; A10-E14 PolarHBondContact O-N 3.24Å |
| 11 | R | 94.5 | Very high | 91.6 | Very high | 141 Ų | 141 | 105.8 Ų | 105.8 | 53% | 0.532 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.4 | -41.4 | 174.9 | -171.6 | -171.6 | -60.6 | 140.5 | 4.6 | 112.1 | L7 E8 E14 W15 | L7-R11 WeakPolarHBondContact O-CB 3.43Å; L7-R11 PolarHBondContact O-N 2.98Å; E8-R11 PolarHBondContact O-N 3.29Å; E8-R11 IonicContact OE1-CZ 3.37Å; E8-R11 IonicContact OE1-NH1 2.8Å; E8-R11 PolarHBondContact OE1-NH1 2.91Å; E8-R11 IonicContact OE2-CZ 3.19Å; E8-R11 IonicContact OE2-NH1 2.68Å; E8-R11 PolarHBondContact OE2-NH1 2.8Å; R11-E14 PolarHBondContact O-N 3.08Å; R11-W15 WeakPolarHBondContact O-CB 3.27Å; R11-W15 PolarHBondContact O-N 2.98Å |
| 12 | Y | 95.9 | Very high | 92.2 | Very high | 139 Ų | 139 | 100.1 Ų | 100.1 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.6 | -40.1 | 177.6 | -172.3 | -93.3 | 0 | 0 | 0 | 112.5 | E8 A9 A10 W15 Q16 | E8-Y12 WeakPolarHBondContact O-CB 3.42Å; E8-Y12 PolarHBondContact O-N 3.25Å; A9-Y12 PolarHBondContact O-N 2.95Å; A10-Y12 VanDerWaalsContact C-N 3.32Å; A10-Y12 PolarHBondContact O-N 3.36Å; Y12-W15 HydrophobicContact CD2-CE3 4.27Å; Y12-W15 AromaticContact CE2-CE3 4Å; Y12-W15 HydrophobicContact CE2-CE3 4Å; Y12-W15 AromaticContact CE2-CZ3 3.93Å; Y12-W15 HydrophobicContact CE2-CZ3 3.93Å; Y12-Q16 WeakPolarHBondContact O-CB 3.19Å; Y12-Q16 PolarHBondContact O-N 3.41Å |
| 13 | L | 96.2 | Very high | 91.6 | Very high | 109 Ų | 109 | 100.7 Ų | 100.7 | 57% | 0.571 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.1 | -38.7 | 175.2 | -71.7 | 169.3 | 0 | 0 | 0 | 112.4 | A9 A10 Q16 A17 | A9-L13 WeakPolarHBondContact O-CG 3.14Å; A9-L13 PolarHBondContact O-N 2.84Å; A10-L13 PolarHBondContact O-N 3.45Å; L13-Q16 PolarHBondContact O-N 2.92Å; L13-A17 WeakPolarHBondContact O-CB 3.26Å; L13-A17 PolarHBondContact O-N 2.9Å |
| 14 | E | 93.8 | Very high | 90.9 | Very high | 143 Ų | 143 | 103.6 Ų | 103.6 | 67% | 0.668 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64 | -46.3 | 174.4 | -176 | 170 | -115.5 | 0 | 0 | 111.5 | A10 R11 Q16 A17 Q18 | A10-E14 PolarHBondContact O-N 3.24Å; R11-E14 PolarHBondContact O-N 3.08Å; E14-Q16 PolarHBondContact O-N 3.24Å; E14-A17 PolarHBondContact O-N 3.44Å; E14-Q18 PolarHBondContact O-N 3.15Å |
| 15 | W | 95.9 | Very high | 90.1 | Very high | 134 Ų | 134 | 107.1 Ų | 107.1 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.9 | -42.9 | 173.5 | 176.1 | 75.7 | 0 | 0 | 0 | 112.4 | R11 Y12 A17 Q18 Q19 | R11-W15 WeakPolarHBondContact O-CB 3.27Å; R11-W15 PolarHBondContact O-N 2.98Å; Y12-W15 HydrophobicContact CD2-CE3 4.27Å; Y12-W15 AromaticContact CE2-CE3 4Å; Y12-W15 HydrophobicContact CE2-CE3 4Å; Y12-W15 AromaticContact CE2-CZ3 3.93Å; Y12-W15 HydrophobicContact CE2-CZ3 3.93Å; W15-A17 VanDerWaalsContact C-N 3.35Å; W15-A17 PolarHBondContact O-N 2.99Å; W15-Q18 PolarHBondContact O-N 3.17Å; W15-Q19 HydrophobicContact CD2-CG 4.43Å; W15-Q19 HydrophobicContact CH2-CG 4.41Å; W15-Q19 HydrophobicContact CZ2-CG 3.94Å; W15-Q19 PolarHBondContact O-N 3.13Å |
| 16 | Q | 94 | Very high | 89.1 | Confident | 85 Ų | 85 | 109.3 Ų | 109.3 | 40% | 0.397 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -38.8 | 176.7 | -171.5 | 176.3 | 23.7 | 0 | 0 | 112.1 | Y12 L13 E14 Q19 Q20 | Y12-Q16 WeakPolarHBondContact O-CB 3.19Å; Y12-Q16 PolarHBondContact O-N 3.41Å; L13-Q16 PolarHBondContact O-N 2.92Å; E14-Q16 PolarHBondContact O-N 3.24Å; Q16-Q19 PolarHBondContact O-N 3.46Å; Q16-Q20 PolarHBondContact O-N 2.59Å; Q16-Q20 VanDerWaalsContact O-N 3.16Å |
| 17 | A | 91.9 | Very high | 87.9 | Confident | 44 Ų | 44 | 107.8 Ų | 107.8 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -37.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | L13 E14 W15 Q20 Q21 | L13-A17 WeakPolarHBondContact O-CB 3.26Å; L13-A17 PolarHBondContact O-N 2.9Å; E14-A17 PolarHBondContact O-N 3.44Å; W15-A17 VanDerWaalsContact C-N 3.35Å; W15-A17 PolarHBondContact O-N 2.99Å; A17-Q20 PolarHBondContact O-N 2.86Å; A17-Q21 WeakPolarHBondContact O-CG 3.49Å; A17-Q21 PolarHBondContact O-N 3.29Å |
| 18 | Q | 92.7 | Very high | 86.6 | Confident | 120 Ų | 120 | 109.2 Ų | 109.2 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.6 | -42.1 | 175.6 | -169 | 169.3 | 28.6 | 0 | 0 | 111.9 | E14 W15 Q20 Q21 Q22 | E14-Q18 PolarHBondContact O-N 3.15Å; W15-Q18 PolarHBondContact O-N 3.17Å; Q18-Q20 PolarHBondContact O-N 3.12Å; Q18-Q21 PolarHBondContact O-N 3.04Å; Q18-Q22 PolarHBondContact O-N 3.02Å |
| 19 | Q | 89.6 | Confident | 85.3 | Confident | 86 Ų | 86 | 106.7 Ų | 106.7 | 40% | 0.402 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.7 | -45 | 172.8 | -76.4 | -62 | 118.5 | 0 | 0 | 112.1 | W15 Q16 Q21 Q22 T23 | W15-Q19 HydrophobicContact CD2-CG 4.43Å; W15-Q19 HydrophobicContact CH2-CG 4.41Å; W15-Q19 HydrophobicContact CZ2-CG 3.94Å; W15-Q19 PolarHBondContact O-N 3.13Å; Q16-Q19 PolarHBondContact O-N 3.46Å; Q19-Q21 VanDerWaalsContact C-N 3.33Å; Q19-Q21 PolarHBondContact O-N 2.9Å; Q19-Q22 PolarHBondContact O-N 3.25Å; Q19-T23 PolarHBondContact O-N 2.8Å; Q19-T23 PolarHBondContact O-OG1 3.06Å |
| 20 | Q | 87.4 | Confident | 84.1 | Confident | 136 Ų | 136 | 110.8 Ų | 110.8 | 64% | 0.636 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.1 | -37.7 | 176.2 | -73.3 | -174.9 | -3.1 | 0 | 0 | 112.8 | Q16 A17 Q18 Q22 R24 | Q16-Q20 PolarHBondContact O-N 2.59Å; Q16-Q20 VanDerWaalsContact O-N 3.16Å; A17-Q20 PolarHBondContact O-N 2.86Å; Q18-Q20 PolarHBondContact O-N 3.12Å; Q20-Q22 VanDerWaalsContact C-N 3.35Å; Q20-R24 WeakPolarHBondContact O-CB 3.29Å; Q20-R24 PolarHBondContact O-N 3.04Å |
| 21 | Q | 84.7 | Confident | 82.8 | Confident | 92 Ų | 92 | 114.8 Ų | 114.8 | 43% | 0.43 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.6 | -35.9 | 173.7 | -73.1 | -175.5 | 43.2 | 0 | 0 | 112.3 | A17 Q18 Q19 R25 | A17-Q21 WeakPolarHBondContact O-CG 3.49Å; A17-Q21 PolarHBondContact O-N 3.29Å; Q18-Q21 PolarHBondContact O-N 3.04Å; Q19-Q21 VanDerWaalsContact C-N 3.33Å; Q19-Q21 PolarHBondContact O-N 2.9Å; Q21-R25 WeakPolarHBondContact O-CB 3.33Å; Q21-R25 VanDerWaalsContact O-CG 3.28Å; Q21-R25 WeakPolarHBondContact O-CG 3.24Å; Q21-R25 PolarHBondContact O-N 3.38Å |
| 22 | Q | 81.1 | Confident | 81.7 | Confident | 95 Ų | 95 | 114.1 Ų | 114.1 | 44% | 0.444 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -69.6 | -49.4 | 177.6 | -178.9 | 155.9 | -11.5 | 0 | 0 | 111.7 | Q18 Q19 Q20 R24 R25 E26 | Q18-Q22 PolarHBondContact O-N 3.02Å; Q19-Q22 PolarHBondContact O-N 3.25Å; Q20-Q22 VanDerWaalsContact C-N 3.35Å; Q22-R24 VanDerWaalsContact C-N 3.29Å; Q22-R24 PolarHBondContact O-N 3Å; Q22-R25 PolarHBondContact O-N 3.16Å; Q22-E26 WeakPolarHBondContact CG-OE1 3.03Å; Q22-E26 PolarHBondContact NE2-OE1 2.96Å; Q22-E26 WeakPolarHBondContact O-CG 3.32Å; Q22-E26 PolarHBondContact O-N 3.44Å |
| 23 | T | 76.5 | Confident | 80.6 | Confident | 72 Ų | 72 | 114.3 Ų | 114.3 | 44% | 0.442 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -54.5 | -46.4 | 173.8 | -55.4 | 0 | 0 | 0 | 0 | 111.1 | Q19 R25 E26 D27 | Q19-T23 PolarHBondContact O-N 2.8Å; Q19-T23 PolarHBondContact O-OG1 3.06Å; T23-R25 VanDerWaalsContact C-N 3.31Å; T23-R25 PolarHBondContact O-N 3.47Å; T23-E26 PolarHBondContact O-N 3.31Å; T23-D27 PolarHBondContact O-N 3.17Å |
| 24 | R | 76.2 | Confident | 79.5 | Confident | 182 Ų | 182 | 114 Ų | 114 | 69% | 0.687 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61 | -34.6 | 176.8 | -175.3 | 177.3 | 174.9 | -165.8 | -3.6 | 113.7 | Q20 Q22 E26 E28 | Q20-R24 WeakPolarHBondContact O-CB 3.29Å; Q20-R24 PolarHBondContact O-N 3.04Å; Q22-R24 VanDerWaalsContact C-N 3.29Å; Q22-R24 PolarHBondContact O-N 3Å; R24-E26 VanDerWaalsContact C-N 3.34Å; R24-E28 PolarHBondContact O-N 2.95Å; R24-E28 VanDerWaalsContact O-N 3.12Å |
| 25 | R | 73.9 | Confident | 78.5 | Confident | 175 Ų | 175 | 109.6 Ų | 109.6 | 66% | 0.66 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -75.3 | -21.3 | 175.5 | -76.8 | 177.1 | -174.6 | -172.4 | 4.7 | 113.3 | Q21 Q22 T23 P29 | Q21-R25 WeakPolarHBondContact O-CB 3.33Å; Q21-R25 VanDerWaalsContact O-CG 3.28Å; Q21-R25 WeakPolarHBondContact O-CG 3.24Å; Q21-R25 PolarHBondContact O-N 3.38Å; Q22-R25 PolarHBondContact O-N 3.16Å; T23-R25 VanDerWaalsContact C-N 3.31Å; T23-R25 PolarHBondContact O-N 3.47Å; R25-P29 WeakPolarHBondContact O-CD 3.07Å; R25-P29 WeakPolarHBondContact O-CG 3.48Å |
| 26 | E | 72.5 | Confident | 77.5 | Confident | 113 Ų | 113 | 108 Ų | 108 | 53% | 0.528 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -86.1 | -33.9 | 175 | -70.2 | 168.2 | -170.6 | 0 | 0 | 110.8 | Q22 T23 R24 | Q22-E26 WeakPolarHBondContact CG-OE1 3.03Å; Q22-E26 PolarHBondContact NE2-OE1 2.96Å; Q22-E26 WeakPolarHBondContact O-CG 3.32Å; Q22-E26 PolarHBondContact O-N 3.44Å; T23-E26 PolarHBondContact O-N 3.31Å; R24-E26 VanDerWaalsContact C-N 3.34Å |
| 27 | D | 70.1 | Confident | 76.7 | Confident | 88 Ų | 88 | 110.1 Ų | 110.1 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.4 | -38.5 | 174.8 | -67.9 | -33.7 | 0 | 0 | 0 | 113.9 | T23 F30 Q31 | T23-D27 PolarHBondContact O-N 3.17Å; D27-F30 WeakPolarHBondContact O-CB 3.46Å; D27-F30 PolarHBondContact O-N 2.91Å; D27-F30 VanDerWaalsContact O-N 3.15Å; D27-Q31 PolarHBondContact O-N 3.5Å |
| 28 | E | 67 | Low | 75.8 | Confident | 132 Ų | 132 | 111.9 Ų | 111.9 | 62% | 0.617 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -53.9 | -55.6 | -179.9 | -103.1 | -137.2 | 129.9 | 0 | 0 | 114.1 | R24 F30 Q31 E32 | R24-E28 PolarHBondContact O-N 2.95Å; R24-E28 VanDerWaalsContact O-N 3.12Å; E28-F30 PolarHBondContact O-N 3.12Å; E28-F30 VanDerWaalsContact O-N 3.13Å; E28-Q31 PolarHBondContact O-N 2.89Å; E28-E32 PolarHBondContact O-N 3.26Å |
| 29 | P | 67.3 | Low | 74.8 | Confident | 51 Ų | 51 | 111.2 Ų | 111.2 | 33% | 0.331 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.8 | -2.8 | -179.5 | 31.5 | -37.7 | 0 | 0 | 0 | 113.3 | R25 K33 | R25-P29 WeakPolarHBondContact O-CD 3.07Å; R25-P29 WeakPolarHBondContact O-CG 3.48Å; P29-K33 WeakPolarHBondContact O-CD 3.49Å; P29-K33 VanDerWaalsContact O-CE 3.26Å; P29-K33 WeakPolarHBondContact O-CE 3.45Å; P29-K33 VanDerWaalsContact O-CG 3.27Å; P29-K33 WeakPolarHBondContact O-CG 3.47Å; P29-K33 PolarHBondContact O-NZ 3.15Å |
| 30 | F | 69.1 | Low | 73.9 | Confident | 136 Ų | 136 | 110 Ų | 110 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -85.5 | -52 | 165.5 | -170.5 | -87.2 | 0 | 0 | 0 | 110.2 | D27 E28 E32 K33 E34 | D27-F30 WeakPolarHBondContact O-CB 3.46Å; D27-F30 PolarHBondContact O-N 2.91Å; D27-F30 VanDerWaalsContact O-N 3.15Å; E28-F30 PolarHBondContact O-N 3.12Å; E28-F30 VanDerWaalsContact O-N 3.13Å; F30-E32 PolarHBondContact O-N 3.04Å; F30-K33 PolarHBondContact O-N 3.3Å; F30-E34 PolarHBondContact O-N 3.45Å |
| 31 | Q | 67.8 | Low | 72.8 | Confident | 137 Ų | 137 | 109 Ų | 109 | 64% | 0.64 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.6 | -39.9 | 176.5 | -89.3 | -168.2 | 89.9 | 0 | 0 | 113.2 | D27 E28 K33 E34 A35 | D27-Q31 PolarHBondContact O-N 3.5Å; E28-Q31 PolarHBondContact O-N 2.89Å; Q31-K33 VanDerWaalsContact C-N 3.31Å; Q31-K33 PolarHBondContact O-N 3.38Å; Q31-E34 PolarHBondContact O-N 2.87Å; Q31-A35 WeakPolarHBondContact O-CB 3.32Å; Q31-A35 PolarHBondContact O-N 2.95Å |
| 32 | E | 72.3 | Confident | 71.6 | Confident | 128 Ų | 128 | 108.3 Ų | 108.3 | 60% | 0.598 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.9 | -41.9 | 177 | -171.4 | -174.9 | -154.7 | 0 | 0 | 111.1 | E28 F30 A35 I36 | E28-E32 PolarHBondContact O-N 3.26Å; F30-E32 PolarHBondContact O-N 3.04Å; E32-A35 PolarHBondContact O-N 3.02Å; E32-I36 HydrophobicContact CG-CD1 3.92Å; E32-I36 WeakPolarHBondContact O-CB 3.25Å; E32-I36 VanDerWaalsContact O-CG1 3.24Å; E32-I36 WeakPolarHBondContact O-CG1 3.45Å; E32-I36 PolarHBondContact O-N 2.95Å |
| 33 | K | 72.6 | Confident | 70.5 | Confident | 143 Ų | 143 | 109.4 Ų | 109.4 | 62% | 0.622 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -68.8 | -36.3 | 176.8 | -70 | 173.6 | -165.7 | 154.4 | 0 | 112.3 | P29 F30 Q31 K37 | P29-K33 WeakPolarHBondContact O-CD 3.49Å; P29-K33 VanDerWaalsContact O-CE 3.26Å; P29-K33 WeakPolarHBondContact O-CE 3.45Å; P29-K33 VanDerWaalsContact O-CG 3.27Å; P29-K33 WeakPolarHBondContact O-CG 3.47Å; P29-K33 PolarHBondContact O-NZ 3.15Å; F30-K33 PolarHBondContact O-N 3.3Å; Q31-K33 VanDerWaalsContact C-N 3.31Å; Q31-K33 PolarHBondContact O-N 3.38Å; K33-K37 WeakPolarHBondContact O-CB 3.43Å; K33-K37 PolarHBondContact O-N 3.42Å |
| 34 | E | 74.3 | Confident | 69.4 | Low | 101 Ų | 101 | 112.6 Ų | 112.6 | 47% | 0.472 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -71.5 | -35.7 | 177 | -168.7 | 156.1 | -134.6 | 0 | 0 | 112.1 | F30 Q31 T38 | F30-E34 PolarHBondContact O-N 3.45Å; Q31-E34 PolarHBondContact O-N 2.87Å; E34-T38 PolarHBondContact O-N 3.22Å; E34-T38 PolarHBondContact O-OG1 3.47Å |
| 35 | A | 72.1 | Confident | 68.3 | Low | 52 Ų | 52 | 108.6 Ų | 108.6 | 43% | 0.43 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -65.5 | -49.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112 | Q31 E32 K37 T38 E39 | Q31-A35 WeakPolarHBondContact O-CB 3.32Å; Q31-A35 PolarHBondContact O-N 2.95Å; E32-A35 PolarHBondContact O-N 3.02Å; A35-K37 VanDerWaalsContact C-N 3.28Å; A35-K37 PolarHBondContact O-N 3.22Å; A35-T38 WeakPolarHBondContact CA-OG1 3.42Å; A35-T38 PolarHBondContact O-N 2.9Å; A35-T38 PolarHBondContact O-OG1 3.24Å; A35-T38 VanDerWaalsContact O-OG1 3.08Å; A35-E39 WeakPolarHBondContact O-CB 3.28Å; A35-E39 PolarHBondContact O-N 3.46Å |
| 36 | I | 75.7 | Confident | 67.1 | Low | 99 Ų | 99 | 107.6 Ų | 107.6 | 51% | 0.508 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.5 | -39.5 | 176.4 | -69.9 | 166.8 | 0 | 0 | 0 | 110.9 | E32 A40 | E32-I36 HydrophobicContact CG-CD1 3.92Å; E32-I36 WeakPolarHBondContact O-CB 3.25Å; E32-I36 VanDerWaalsContact O-CG1 3.24Å; E32-I36 WeakPolarHBondContact O-CG1 3.45Å; E32-I36 PolarHBondContact O-N 2.95Å; I36-A40 WeakPolarHBondContact O-CB 3.45Å; I36-A40 PolarHBondContact O-N 2.92Å |
| 37 | K | 75.9 | Confident | 65.9 | Low | 130 Ų | 130 | 109.8 Ų | 109.8 | 57% | 0.565 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -63.1 | -49.1 | 175.7 | -177.2 | -168.4 | 168.4 | -159.5 | 0 | 111.6 | K33 A35 A40 E41 | K33-K37 WeakPolarHBondContact O-CB 3.43Å; K33-K37 PolarHBondContact O-N 3.42Å; A35-K37 VanDerWaalsContact C-N 3.28Å; A35-K37 PolarHBondContact O-N 3.22Å; K37-A40 PolarHBondContact O-N 2.85Å; K37-E41 WeakPolarHBondContact O-CB 3.34Å; K37-E41 PolarHBondContact O-N 3.35Å |
| 38 | T | 72.7 | Confident | 65 | Low | 82 Ų | 82 | 111 Ų | 111 | 50% | 0.503 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -68.3 | -32.8 | -179.8 | 44.7 | 0 | 0 | 0 | 0 | 112.6 | E34 A35 E41 S42 | E34-T38 PolarHBondContact O-N 3.22Å; E34-T38 PolarHBondContact O-OG1 3.47Å; A35-T38 WeakPolarHBondContact CA-OG1 3.42Å; A35-T38 PolarHBondContact O-N 2.9Å; A35-T38 PolarHBondContact O-OG1 3.24Å; A35-T38 VanDerWaalsContact O-OG1 3.08Å; T38-E41 PolarHBondContact O-N 2.81Å; T38-S42 WeakPolarHBondContact O-CB 3.44Å; T38-S42 PolarHBondContact O-N 3.36Å |
| 39 | E | 72.6 | Confident | 64.3 | Low | 106 Ų | 106 | 110.1 Ų | 110.1 | 50% | 0.495 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.7 | -40.8 | 171.7 | -166.3 | -173.5 | 154.2 | 0 | 0 | 112 | A35 K43 | A35-E39 WeakPolarHBondContact O-CB 3.28Å; A35-E39 PolarHBondContact O-N 3.46Å; E39-K43 WeakPolarHBondContact O-CG 3.36Å; E39-K43 PolarHBondContact O-N 3.04Å; E39-K43 VanDerWaalsContact O-N 3.14Å; E39-K43 VanDerWaalsContact OE1-CE 3.29Å; E39-K43 WeakPolarHBondContact OE1-CE 3.48Å; E39-K43 IonicContact OE1-NZ 2.59Å; E39-K43 PolarHBondContact OE1-NZ 3.26Å |
| 40 | A | 69.4 | Low | 62.5 | Low | 59 Ų | 59 | 113 Ų | 113 | 49% | 0.488 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -66.3 | -40.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | I36 K37 K43 H44 | I36-A40 WeakPolarHBondContact O-CB 3.45Å; I36-A40 PolarHBondContact O-N 2.92Å; K37-A40 PolarHBondContact O-N 2.85Å; A40-K43 PolarHBondContact O-N 3.14Å; A40-H44 PolarHBondContact O-N 3.05Å; A40-H44 VanDerWaalsContact O-N 3.13Å |
| 41 | E | 65 | Low | 61.5 | Low | 116 Ų | 116 | 112.4 Ų | 112.4 | 54% | 0.542 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -67.3 | -39.8 | 178 | -159.8 | 165 | 164.8 | 0 | 0 | 111.2 | K37 T38 H44 V45 | K37-E41 WeakPolarHBondContact O-CB 3.34Å; K37-E41 PolarHBondContact O-N 3.35Å; T38-E41 PolarHBondContact O-N 2.81Å; E41-H44 PolarHBondContact O-N 3.43Å; E41-V45 PolarHBondContact O-N 2.95Å |
| 42 | S | 59.4 | Low | 60.3 | Low | 77 Ų | 77 | 113.6 Ų | 113.6 | 54% | 0.538 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -58.4 | -49 | 172.3 | -172.8 | 0 | 0 | 0 | 0 | 112.5 | T38 H44 V45 E46 | T38-S42 WeakPolarHBondContact O-CB 3.44Å; T38-S42 PolarHBondContact O-N 3.36Å; S42-H44 PolarHBondContact O-N 3.41Å; S42-V45 PolarHBondContact O-N 2.94Å; S42-E46 PolarHBondContact O-N 3.48Å |
| 43 | K | 57.6 | Low | 58.9 | Low | 119 Ų | 119 | 113 Ų | 113 | 52% | 0.517 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -62.5 | -29.2 | 177.6 | -71.4 | 168.6 | -175.6 | 170.7 | 0 | 113.2 | E39 A40 | E39-K43 WeakPolarHBondContact O-CG 3.36Å; E39-K43 PolarHBondContact O-N 3.04Å; E39-K43 VanDerWaalsContact O-N 3.14Å; E39-K43 VanDerWaalsContact OE1-CE 3.29Å; E39-K43 WeakPolarHBondContact OE1-CE 3.48Å; E39-K43 IonicContact OE1-NZ 2.59Å; E39-K43 PolarHBondContact OE1-NZ 3.26Å; A40-K43 PolarHBondContact O-N 3.14Å |
| 44 | H | 53.7 | Low | 57.2 | Low | 139 Ų | 139 | 111.7 Ų | 111.7 | 64% | 0.644 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -73.1 | -30.4 | 175.3 | -169.1 | -84.7 | 0 | 0 | 0 | 112.6 | A40 E41 S42 | A40-H44 PolarHBondContact O-N 3.05Å; A40-H44 VanDerWaalsContact O-N 3.13Å; E41-H44 PolarHBondContact O-N 3.43Å; S42-H44 PolarHBondContact O-N 3.41Å |
| 45 | V | 54.4 | Low | 55.4 | Low | 98 Ų | 98 | 118.4 Ų | 118.4 | 59% | 0.594 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -73.4 | -39.7 | 175.5 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | E41 S42 L47 V48 | E41-V45 PolarHBondContact O-N 2.95Å; S42-V45 PolarHBondContact O-N 2.94Å; V45-L47 VanDerWaalsContact C-N 3.34Å; V45-L47 PolarHBondContact O-N 3.41Å; V45-V48 PolarHBondContact O-N 3.23Å |
| 46 | E | 47 | Very low | 53.6 | Low | 153 Ų | 153 | 120 Ų | 120 | 72% | 0.715 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -62.8 | -37.8 | -179.1 | -168.2 | 173.1 | -170.9 | 0 | 0 | 112.6 | S42 V48 T49 | S42-E46 PolarHBondContact O-N 3.48Å; E46-V48 PolarHBondContact O-N 2.94Å; E46-T49 PolarHBondContact O-N 2.91Å |
| 47 | L | 49.2 | Very low | 52 | Low | 159 Ų | 159 | 122.2 Ų | 122.2 | 83% | 0.832 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -16.7 | -177.7 | -162.6 | 66.8 | 0 | 0 | 0 | 114.2 | V45 | V45-L47 VanDerWaalsContact C-N 3.34Å; V45-L47 PolarHBondContact O-N 3.41Å |
| 48 | V | 50.4 | Low | 50.1 | Low | 113 Ų | 113 | 125.1 Ų | 125.1 | 69% | 0.685 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.3 | -15.2 | -175.1 | 176.5 | 0 | 0 | 0 | 0 | 112.9 | V45 E46 | V45-V48 PolarHBondContact O-N 3.23Å; E46-V48 PolarHBondContact O-N 2.94Å |
| 49 | T | 51.2 | Low | 48.3 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 70% | 0.699 | 70% | 0.7 | S | S | * | * | | | trans | -131.4 | 79.2 | -169.1 | -45.7 | 0 | 0 | 0 | 0 | 114 | E46 | E46-T49 PolarHBondContact O-N 2.91Š|
| 50 | S | 31.1 | Very low | 46.4 | Very low | 113 Ų | 113 | 127 Ų | 127 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | | | trans | -153.2 | 125.8 | 163.5 | -164.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 51 | P | 47.1 | Very low | 44.5 | Very low | 122 Ų | 122 | 136.3 Ų | 136.3 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | | | trans | -95 | 150.9 | -177.2 | 35.5 | -33.8 | 0 | 0 | 0 | 115 | | |
| 52 | L | 43.6 | Very low | 42.9 | Very low | 162 Ų | 162 | 135 Ų | 135 | 85% | 0.848 | 75% | 0.747 | S | S | * | * | | | trans | -85.6 | 146.2 | -176.3 | -175.8 | 76.9 | 0 | 0 | 0 | 114.2 | | |
| 53 | P | 42.6 | Very low | 41.6 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | | | trans | -137.6 | 98.2 | 151.8 | 35.1 | -18.6 | 0 | 0 | 0 | 116.4 | | |
| 54 | V | 35.6 | Very low | 40.3 | Very low | 115 Ų | 115 | 142.2 Ų | 142.2 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | | | | 35.6 | 129.5 | 126 | -177 | 0 | 0 | 0 | 0 | 122.2 | | |
| 55 | R | 37 | Very low | 39.7 | Very low | 241 Ų | 241 | 139.9 Ų | 139.9 | 91% | 0.909 | 78% | 0.784 | S | S | * | * | | | trans | 76.1 | 152.7 | 158 | -96.2 | 179.5 | 169.7 | 152.6 | -2.3 | 118.7 | | |
| 56 | A | 34.1 | Very low | 38.8 | Very low | 86 Ų | 86 | 143.4 Ų | 143.4 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | | | cis | -144.6 | 171 | 1.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 57 | N | 43.6 | Very low | 38.3 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 78% | 0.775 | 81% | 0.805 | S | S | * | * | | | trans | -78.7 | 165.2 | -177.1 | -48.4 | -66.4 | 0 | 0 | 0 | 114.6 | | |
| 58 | H | 35.3 | Very low | 37.6 | Very low | 191 Ų | 191 | 148.5 Ų | 148.5 | 88% | 0.884 | 81% | 0.809 | S | S | * | * | | | | -162.3 | 177.6 | 120.9 | -94.4 | -57.8 | 0 | 0 | 0 | 111.2 | | |
| 59 | T | 35.3 | Very low | 36.9 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 79% | 0.791 | 80% | 0.804 | S | S | * | * | | | trans | -132.3 | 145 | -146 | -31.4 | 0 | 0 | 0 | 0 | 114.4 | | |
| 60 | A | 31.2 | Very low | 36.3 | Very low | 99 Ų | 99 | 148.7 Ų | 148.7 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | | | trans | -171.8 | 151.1 | 143.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 61 | W | 30.4 | Very low | 36.4 | Very low | 255 Ų | 255 | 151 Ų | 151 | 97% | 0.966 | 80% | 0.801 | S | S | * | * | | | trans | -58.2 | 163.5 | -174.3 | -101.8 | -80.3 | 0 | 0 | 0 | 121.3 | | |
| 62 | A | 31.3 | Very low | 36.5 | Very low | 87 Ų | 87 | 152.1 Ų | 152.1 | 72% | 0.719 | 80% | 0.796 | S | S | * | * | | | trans | 47.8 | 130.7 | 141.5 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 63 | D | 32.6 | Very low | 37 | Very low | 163 Ų | 163 | 150.2 Ų | 150.2 | 87% | 0.872 | 79% | 0.793 | S | S | * | * | | | cis | 95.8 | 154.6 | 39.3 | -166.9 | -135.7 | 0 | 0 | 0 | 114.2 | | |
| 64 | E | 30.3 | Very low | 37.3 | Very low | 186 Ų | 186 | 150.9 Ų | 150.9 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | | | trans | 69.4 | 157.8 | -169.5 | -124.7 | -172.6 | 140.4 | 0 | 0 | 117.2 | | |
| 65 | A | 40.4 | Very low | 38.5 | Very low | 89 Ų | 89 | 149.7 Ų | 149.7 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | | | trans | -123.3 | 148.7 | -154.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | | |
| 66 | L | 34.8 | Very low | 39.6 | Very low | 173 Ų | 173 | 143.8 Ų | 143.8 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | | | trans | -157.5 | 168.9 | 152.1 | -113 | 167.2 | 0 | 0 | 0 | 111.5 | | |
| 67 | R | 37.7 | Very low | 41.1 | Very low | 223 Ų | 223 | 145.3 Ų | 145.3 | 84% | 0.842 | 80% | 0.795 | S | S | * | * | | | trans | -84.4 | 141.2 | -173.1 | -44.2 | -164.2 | 75.9 | 158 | 6.8 | 111.5 | | |
| 68 | Q | 33.5 | Very low | 42.2 | Very low | 195 Ų | 195 | 143.9 Ų | 143.9 | 91% | 0.911 | 79% | 0.794 | S | S | * | * | | | | -177.7 | 171.1 | 106.1 | -95.9 | -177.8 | 94.3 | 0 | 0 | 112.1 | | |
| 69 | Q | 36.3 | Very low | 43.3 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 59% | 0.589 | 79% | 0.79 | S | S | * | * | | | trans | -86.5 | 161.6 | -176.5 | -157.3 | -151.3 | 60 | 0 | 0 | 111.4 | H72 | Q69-H72 PolarHBondContact NE2-NE2 3.01Š|
| 70 | P | 38.4 | Very low | 44.1 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 68% | 0.682 | 79% | 0.794 | S | S | * | * | | | | -140.8 | 128.1 | 119.5 | 33 | -18.5 | 0 | 0 | 0 | 115.6 | | |
| 71 | H | 33.1 | Very low | 45.5 | Very low | 161 Ų | 161 | 143.6 Ų | 143.6 | 75% | 0.745 | 80% | 0.796 | S | S | * | * | | | trans | 49.3 | 120.9 | 143.1 | -58.3 | -67.3 | 0 | 0 | 0 | 121.6 | | |
| 72 | H | 48.8 | Very low | 46.8 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | | | trans | -110.1 | 154.7 | 164.7 | -18 | -68.1 | 0 | 0 | 0 | 108.9 | Q69 | Q69-H72 PolarHBondContact NE2-NE2 3.01Š|
| 73 | P | 54.7 | Low | 48.1 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 154.8 | 175.4 | 29.2 | -35 | 0 | 0 | 0 | 112.1 | | |
| 74 | P | 49 | Very low | 48.5 | Very low | 131 Ų | 131 | 136.3 Ų | 136.3 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 141.1 | -174.3 | 29.4 | -35.3 | 0 | 0 | 0 | 113.2 | | |
| 75 | A | 61.5 | Low | 49 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 155.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 76 | P | 60.6 | Low | 49.5 | Very low | 117 Ų | 117 | 138.1 Ų | 138.1 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67 | 154 | 173.9 | 29.1 | -35.8 | 0 | 0 | 0 | 112.3 | | |
| 77 | P | 63.5 | Low | 49.8 | Very low | 119 Ų | 119 | 136.2 Ų | 136.2 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 147.8 | -178.6 | 29.7 | -35.4 | 0 | 0 | 0 | 112.6 | | |
| 78 | P | 67.6 | Low | 50.1 | Low | 115 Ų | 115 | 133.2 Ų | 133.2 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74 | 159 | 175.9 | 32.1 | -36 | 0 | 0 | 0 | 112.4 | | |
| 79 | P | 57.9 | Low | 50.2 | Low | 124 Ų | 124 | 128.1 Ų | 128.1 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 148.2 | 174.7 | 29.5 | -35.4 | 0 | 0 | 0 | 112.5 | | |
| 80 | S | 52.6 | Low | 50.3 | Low | 124 Ų | 124 | 128.6 Ų | 128.6 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 130.2 | -178.1 | -44.7 | 0 | 0 | 0 | 0 | 112.9 | | |
| 81 | L | 59.8 | Low | 50.4 | Low | 165 Ų | 165 | 130.6 Ų | 130.6 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76 | 149.4 | 169.8 | -69.1 | 170.5 | 0 | 0 | 0 | 111.5 | | |
| 82 | P | 58.6 | Low | 50.7 | Low | 110 Ų | 110 | 128.3 Ų | 128.3 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 150.7 | 172 | 30.5 | -35 | 0 | 0 | 0 | 111.5 | | |
| 83 | P | 57.7 | Low | 50.3 | Low | 123 Ų | 123 | 129.3 Ų | 129.3 | 80% | 0.799 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 136.5 | 180 | 28.4 | -34.4 | 0 | 0 | 0 | 112 | | |
| 84 | S | 41.7 | Very low | 49.7 | Very low | 119 Ų | 119 | 128.9 Ų | 128.9 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 140.1 | 177.3 | -168.4 | 0 | 0 | 0 | 0 | 111.9 | | |
| 85 | Q | 41.9 | Very low | 49.4 | Very low | 187 Ų | 187 | 128.6 Ų | 128.6 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 140.4 | 174.4 | -67.2 | -179.2 | -16.7 | 0 | 0 | 110.8 | | |
| 86 | V | 49.9 | Very low | 48.6 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 76% | 0.764 | 79% | 0.792 | S | S | * | * | | | trans | -105.9 | 139.4 | 169.6 | -72.9 | 0 | 0 | 0 | 0 | 110.3 | | |
| 87 | P | 40.7 | Very low | 47.5 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 131.5 | -176.6 | 29.7 | -34.4 | 0 | 0 | 0 | 111.5 | | |
| 88 | I | 43.8 | Very low | 46.1 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 129.5 | 172.9 | -64.3 | 175 | 0 | 0 | 0 | 108.7 | | |
| 89 | A | 37.3 | Very low | 44.4 | Very low | 88 Ų | 88 | 131.7 Ų | 131.7 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 141.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 90 | V | 37.9 | Very low | 43.3 | Very low | 137 Ų | 137 | 132.6 Ų | 132.6 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 125.2 | 179.3 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | | |
| 91 | I | 40.7 | Very low | 42.6 | Very low | 147 Ų | 147 | 132.7 Ų | 132.7 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | | | trans | -112.7 | 118 | 169.9 | -59.4 | 178.1 | 0 | 0 | 0 | 108.1 | | |
| 92 | P | 39.1 | Very low | 41.1 | Very low | 112 Ų | 112 | 130.2 Ų | 130.2 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 130.3 | 177.7 | -17.2 | 31.2 | 0 | 0 | 0 | 111.9 | | |
| 93 | M | 40.6 | Very low | 39.9 | Very low | 168 Ų | 168 | 131 Ų | 131 | 83% | 0.828 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 122.3 | 166.2 | -80 | -96.4 | 65.7 | 0 | 0 | 109.9 | | |
| 94 | V | 41.6 | Very low | 39.4 | Very low | 114 Ų | 114 | 130.4 Ų | 130.4 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76 | 139.6 | 176 | -79.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 95 | P | 42.3 | Very low | 39.9 | Very low | 124 Ų | 124 | 129.5 Ų | 129.5 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 122.8 | 174.9 | 30.9 | -32.7 | 0 | 0 | 0 | 110.8 | | |
| 96 | V | 44.3 | Very low | 39.4 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 80% | 0.8 | 78% | 0.78 | S | S | * | * | | | trans | -104 | 120.7 | 171.3 | 174.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 97 | V | 38.8 | Very low | 39.5 | Very low | 138 Ų | 138 | 127.3 Ų | 127.3 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | | | trans | -97.7 | 135 | 169.4 | -175.7 | 0 | 0 | 0 | 0 | 108.2 | | |
| 98 | N | 33.8 | Very low | 39.1 | Very low | 155 Ų | 155 | 127.9 Ų | 127.9 | 83% | 0.829 | 77% | 0.773 | S | S | * | * | | | trans | -152.4 | 155 | 152.5 | -153.4 | 3 | 0 | 0 | 0 | 112.2 | | |
| 99 | A | 30.9 | Very low | 38.7 | Very low | 81 Ų | 81 | 125.9 Ų | 125.9 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | | | trans | -104.2 | 166.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 100 | T | 36.3 | Very low | 38.7 | Very low | 143 Ų | 143 | 127.6 Ų | 127.6 | 88% | 0.877 | 77% | 0.769 | S | S | * | * | | | trans | -81.5 | 139.8 | 175.4 | 31.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 101 | P | 37.9 | Very low | 39.3 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -121.6 | -173.7 | 146.3 | 37.2 | -26.7 | 0 | 0 | 0 | 111.6 | | |
| 102 | S | 28.3 | Very low | 38.8 | Very low | 112 Ų | 112 | 126.7 Ų | 126.7 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | | | trans | -153.9 | 172.1 | -167.3 | -165.8 | 0 | 0 | 0 | 0 | 114.4 | | |
| 103 | V | 32.6 | Very low | 38.6 | Very low | 127 Ų | 127 | 125.6 Ų | 125.6 | 77% | 0.77 | 77% | 0.766 | S | S | * | * | | | trans | 79.4 | 175.8 | 163.5 | -124.1 | 0 | 0 | 0 | 0 | 118.4 | | |
| 104 | P | 46.8 | Very low | 38.2 | Very low | 111 Ų | 111 | 121.9 Ų | 121.9 | 72% | 0.721 | 76% | 0.762 | S | S | * | * | | | | -126.2 | -142 | -114.6 | 48.7 | -29.7 | 0 | 0 | 0 | 113.1 | | |
| 105 | P | 52.8 | Low | 37.9 | Very low | 100 Ų | 100 | 121.2 Ų | 121.2 | 65% | 0.649 | 77% | 0.769 | S | S | * | * | | | cis | -140.7 | 165.5 | -17.5 | 38.8 | -19.5 | 0 | 0 | 0 | 119.1 | | |
| 106 | L | 30.6 | Very low | 37.5 | Very low | 158 Ų | 158 | 119.5 Ų | 119.5 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | | | trans | 63 | 176.3 | 146.7 | -99.1 | 78.8 | 0 | 0 | 0 | 119.8 | | |
| 107 | P | 52.3 | Low | 36.8 | Very low | 108 Ų | 108 | 119.6 Ų | 119.6 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | cis | -99.4 | -168.6 | -1.1 | 43.7 | -36.1 | 0 | 0 | 0 | 112.5 | | |
| 108 | L | 31.8 | Very low | 36.2 | Very low | 146 Ų | 146 | 117.4 Ų | 117.4 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | | | cis | -140.7 | -159.5 | 4 | -160.2 | 32.5 | 0 | 0 | 0 | 106.9 | | |
| 109 | T | 35.1 | Very low | 35.9 | Very low | 117 Ų | 117 | 118 Ų | 118 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | | | cis | -157.2 | -171.9 | 12.8 | -40.1 | 0 | 0 | 0 | 0 | 110.5 | | |
| 110 | T | 37.8 | Very low | 36 | Very low | 123 Ų | 123 | 119.7 Ų | 119.7 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | | | trans | -110.5 | 172.3 | -180 | 47.5 | 0 | 0 | 0 | 0 | 112.3 | | |
| 111 | P | 50 | Low | 35.7 | Very low | 113 Ų | 113 | 118.1 Ų | 118.1 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | cis | -126.9 | -172.1 | 8.8 | 41.5 | -23.5 | 0 | 0 | 0 | 113 | | |
| 112 | I | 30.9 | Very low | 35.9 | Very low | 153 Ų | 153 | 117.8 Ų | 117.8 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | | | cis | -149.2 | 134 | -6 | -127.3 | 160.3 | 0 | 0 | 0 | 105.8 | | |
| 113 | A | 34.2 | Very low | 35.9 | Very low | 89 Ų | 89 | 120 Ų | 120 | 74% | 0.736 | 76% | 0.761 | S | S | * | * | | | | 58.6 | 135.3 | 88.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 114 | A | 33.9 | Very low | 36.6 | Very low | 89 Ų | 89 | 119.2 Ų | 119.2 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | | | cis | -150.4 | 142.9 | -2.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 115 | A | 33.8 | Very low | 36.9 | Very low | 101 Ų | 101 | 118.9 Ų | 118.9 | 84% | 0.835 | 76% | 0.756 | S | S | * | * | | | | 65.9 | 143.9 | 94.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | | |
| 116 | A | 33.6 | Very low | 35.8 | Very low | 88 Ų | 88 | 122.8 Ų | 122.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | cis | -156 | -178.2 | -14.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | | |
| 117 | T | 29.6 | Very low | 35.9 | Very low | 133 Ų | 133 | 122.6 Ų | 122.6 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | | | cis | -162.1 | -171.3 | 33.7 | 45.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 118 | S | 27.9 | Very low | 34.7 | Very low | 93 Ų | 93 | 125.1 Ų | 125.1 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | | | cis | -176.9 | 167.1 | -48.7 | -74.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 119 | L | 27.9 | Very low | 34.6 | Very low | 168 Ų | 168 | 121.4 Ų | 121.4 | 88% | 0.88 | 76% | 0.755 | S | S | * | * | | | trans | 75.1 | 145.8 | 175.8 | -42.9 | 172.8 | 0 | 0 | 0 | 114.1 | | |
| 120 | S | 31.6 | Very low | 34.2 | Very low | 115 Ų | 115 | 122 Ų | 122 | 80% | 0.804 | 76% | 0.759 | S | S | * | * | | | cis | -141.5 | 160 | 15.8 | -61.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 121 | S | 30.1 | Very low | 33.8 | Very low | 111 Ų | 111 | 121 Ų | 121 | 78% | 0.776 | 76% | 0.757 | S | S | * | * | | | trans | -92.4 | -169.7 | 169.8 | -27.7 | 0 | 0 | 0 | 0 | 111.3 | | |
| 122 | P | 42.5 | Very low | 32.7 | Very low | 118 Ų | 118 | 120.6 Ų | 120.6 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | | | cis | -135.3 | 162 | -24.3 | 31.8 | -11.3 | 0 | 0 | 0 | 115.8 | | |
| 123 | L | 28 | Very low | 32.5 | Very low | 160 Ų | 160 | 120.1 Ų | 120.1 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | | | | 18.1 | 149 | 121.3 | -154.8 | 62.1 | 0 | 0 | 0 | 120 | | |
| 124 | P | 48.6 | Very low | 32.5 | Very low | 110 Ų | 110 | 119.8 Ų | 119.8 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | | | cis | -128.3 | -113.2 | -9 | 25.9 | 2.4 | 0 | 0 | 0 | 117 | | |
| 125 | P | 51.2 | Low | 33.3 | Very low | 104 Ų | 104 | 121.2 Ų | 121.2 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | | | | -141.3 | -163.7 | -117.3 | 48 | -27.6 | 0 | 0 | 0 | 118.2 | | |
| 126 | K | 30.6 | Very low | 34.4 | Very low | 181 Ų | 181 | 121.6 Ų | 121.6 | 79% | 0.787 | 75% | 0.754 | S | S | * | * | | | trans | 92.6 | 133 | 144.3 | -95.5 | -178 | 176.4 | 176.6 | 0 | 121.8 | | |
| 127 | K | 32.4 | Very low | 35.4 | Very low | 155 Ų | 155 | 121.9 Ų | 121.9 | 67% | 0.674 | 75% | 0.748 | S | S | * | * | | | trans | 69.7 | 127.8 | 143.9 | -78.2 | -174.6 | 159.3 | -93.7 | 0 | 121.4 | | |
| 128 | E | 28.4 | Very low | 35.4 | Very low | 161 Ų | 161 | 123.7 Ų | 123.7 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | | | trans | 33.4 | 125.9 | 134.9 | -63.8 | 154.2 | 126.3 | 0 | 0 | 120.5 | | |
| 129 | G | 28.6 | Very low | 35.7 | Very low | 68 Ų | 68 | 126.2 Ų | 126.2 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | trans | -175.1 | 91.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 130 | T | 27.3 | Very low | 35.9 | Very low | 130 Ų | 130 | 125.4 Ų | 125.4 | 80% | 0.798 | 74% | 0.741 | S | S | * | * | | | trans | 25.7 | 112.9 | 139.2 | 54.8 | 0 | 0 | 0 | 0 | 121.1 | | |
| 131 | S | 28.2 | Very low | 36 | Very low | 102 Ų | 102 | 127.7 Ų | 127.7 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | | | | 62.4 | 143.3 | 123.4 | 74.1 | 0 | 0 | 0 | 0 | 123.8 | | |
| 132 | S | 27.4 | Very low | 36 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 74% | 0.742 | S | S | * | * | | | trans | 92.4 | 149.3 | 140.3 | -63 | 0 | 0 | 0 | 0 | 121.5 | | |
| 133 | T | 27.2 | Very low | 35.4 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 88% | 0.877 | 74% | 0.743 | S | S | * | * | | | trans | 73 | 108.1 | 157.8 | 19.8 | 0 | 0 | 0 | 0 | 120.2 | | |
| 134 | A | 34.3 | Very low | 35.5 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | | | trans | -70.7 | -169.9 | 139.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 135 | P | 50.2 | Low | 34.7 | Very low | 119 Ų | 119 | 127.7 Ų | 127.7 | 77% | 0.773 | 73% | 0.734 | S | S | * | * | | | cis | -130 | -110.6 | 10.8 | 25.6 | 3 | 0 | 0 | 0 | 117.5 | | |
| 136 | P | 57.5 | Low | 33.6 | Very low | 109 Ų | 109 | 130 Ų | 130 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | | | | -130 | -144.6 | -121.2 | 46.9 | -27.2 | 0 | 0 | 0 | 112 | | |
| 137 | P | 53.8 | Low | 33.6 | Very low | 95 Ų | 95 | 128.4 Ų | 128.4 | 62% | 0.617 | 74% | 0.735 | S | S | * | * | | | cis | -135 | -171.6 | -19.7 | 41.5 | -23.8 | 0 | 0 | 0 | 115.4 | | |
| 138 | Q | 30.8 | Very low | 33.5 | Very low | 170 Ų | 170 | 128.3 Ų | 128.3 | 79% | 0.794 | 74% | 0.741 | S | S | * | * | | | trans | 67.8 | 162.2 | 153.2 | -78.4 | 171 | -11.4 | 0 | 0 | 118.3 | | |
| 139 | Q | 32.5 | Very low | 33.6 | Very low | 146 Ų | 146 | 125.6 Ų | 125.6 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | | | cis | -148.4 | 132.8 | -2 | -126.1 | -178.7 | -40.5 | 0 | 0 | 108.2 | | |
| 140 | Q | 33.8 | Very low | 34.2 | Very low | 151 Ų | 151 | 128.4 Ų | 128.4 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | | | | 92 | 147.8 | 97.9 | -173 | 167.7 | -4.7 | 0 | 0 | 118.3 | | |
| 141 | Q | 32.6 | Very low | 34.2 | Very low | 164 Ų | 164 | 126.8 Ų | 126.8 | 77% | 0.766 | 74% | 0.738 | S | S | * | * | | | trans | -60.7 | 158.6 | -166.7 | -55.5 | 144.3 | -42.7 | 0 | 0 | 116.3 | | |
| 142 | S | 29.7 | Very low | 34.3 | Very low | 120 Ų | 120 | 130 Ų | 130 | 84% | 0.839 | 74% | 0.742 | S | S | * | * | | | | -179.9 | 164.5 | 91.6 | 45 | 0 | 0 | 0 | 0 | 117.1 | | |
| 143 | V | 29.7 | Very low | 34.5 | Very low | 129 Ų | 129 | 133.5 Ų | 133.5 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | | | trans | -55.5 | 140.3 | -168.2 | -83.9 | 0 | 0 | 0 | 0 | 124.4 | | |
| 144 | S | 31.6 | Very low | 34.5 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 66% | 0.657 | 75% | 0.746 | S | S | * | * | | | | 83.7 | 151 | 123.7 | -62.7 | 0 | 0 | 0 | 0 | 126.5 | | |
| 145 | H | 31.8 | Very low | 34.1 | Very low | 155 Ų | 155 | 140.1 Ų | 140.1 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | | | trans | 112.1 | 112.7 | 144.6 | -65.7 | -69 | 0 | 0 | 0 | 123.2 | | |
| 146 | H | 28.3 | Very low | 33 | Very low | 154 Ų | 154 | 141.6 Ų | 141.6 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | | | trans | 74.6 | 130.8 | 131.8 | -68.4 | -51.5 | 0 | 0 | 0 | 127.3 | | |
| 147 | L | 29.5 | Very low | 32.6 | Very low | 147 Ų | 147 | 142.2 Ų | 142.2 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | | | trans | 86.9 | 112.6 | 132.7 | -73.9 | 167.1 | 0 | 0 | 0 | 125 | | |
| 148 | L | 30.6 | Very low | 31.6 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 80% | 0.801 | 76% | 0.757 | S | S | * | * | | | trans | 25.3 | 126.4 | 134.2 | -68.3 | 173.1 | 0 | 0 | 0 | 124.5 | | |
| 149 | C | 29.4 | Very low | 31.6 | Very low | 104 Ų | 104 | 141 Ų | 141 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | | | trans | 68.4 | 147.5 | 139.2 | -139.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 150 | P | 42.3 | Very low | 31.5 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | | | | -141 | -170.5 | 88.3 | 40.7 | -26 | 0 | 0 | 0 | 114.7 | | |
| 151 | S | 28 | Very low | 31.3 | Very low | 96 Ų | 96 | 139.8 Ų | 139.8 | 67% | 0.671 | 75% | 0.754 | S | S | * | * | | | trans | -136.9 | 175.3 | -175 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 152 | Q | 30.1 | Very low | 31.2 | Very low | 171 Ų | 171 | 139.3 Ų | 139.3 | 80% | 0.799 | 76% | 0.755 | S | S | * | * | | | trans | 78.1 | 129.3 | 165.9 | -57.5 | -72.5 | -7.4 | 0 | 0 | 118.4 | | |
| 153 | I | 30.6 | Very low | 31.2 | Very low | 176 Ų | 176 | 140.1 Ų | 140.1 | 90% | 0.903 | 75% | 0.75 | S | S | * | * | | | | -166.7 | 157.6 | 117.9 | -99.2 | 160.9 | 0 | 0 | 0 | 109.6 | | |
| 154 | K | 26.6 | Very low | 31.2 | Very low | 178 Ų | 178 | 140.3 Ų | 140.3 | 77% | 0.774 | 75% | 0.751 | S | S | * | * | | | trans | -142.3 | 132 | -167.3 | 157.3 | -163.7 | 167.3 | -175.4 | 0 | 109.8 | | |
| 155 | M | 26.8 | Very low | 31.4 | Very low | 185 Ų | 185 | 144.5 Ų | 144.5 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | | | trans | -162.2 | 154.7 | 142 | -136.4 | 154.1 | -74.3 | 0 | 0 | 114.5 | | |
| 156 | E | 27.9 | Very low | 31.5 | Very low | 151 Ų | 151 | 143.2 Ų | 143.2 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | | | trans | -102.1 | 170.5 | 169.1 | -150.9 | -155.7 | 99.2 | 0 | 0 | 107.9 | A158 | E156-A158 PolarHBondContact OE1-N 3.35Š|
| 157 | P | 47.6 | Very low | 31.5 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 76% | 0.764 | S | S | * | * | | | | -146.6 | 153.1 | 78 | 34.7 | -15 | 0 | 0 | 0 | 117.3 | | |
| 158 | A | 33.8 | Very low | 31.6 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 60% | 0.603 | 77% | 0.77 | S | S | * | * | | | trans | 1 | 157.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | E156 | E156-A158 PolarHBondContact OE1-N 3.35Š|
| 159 | Q | 30.9 | Very low | 31.4 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | | | cis | -132.8 | -146.6 | 17.8 | -53.4 | 163.7 | 16 | 0 | 0 | 109.5 | | |
| 160 | Q | 29.6 | Very low | 31.4 | Very low | 149 Ų | 149 | 145.9 Ų | 145.9 | 70% | 0.696 | 78% | 0.781 | S | S | * | * | | | cis | -167.5 | 172.2 | -3.2 | -126.5 | -168.4 | 62.3 | 0 | 0 | 105 | | |
| 161 | L | 29.9 | Very low | 31.3 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 64% | 0.644 | 78% | 0.777 | S | S | * | * | | | cis | -165.8 | 136 | -11.8 | -176.2 | 63.7 | 0 | 0 | 0 | 108.5 | | |
| 162 | I | 31 | Very low | 31.4 | Very low | 154 Ų | 154 | 150 Ų | 150 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | | | trans | 56.5 | 141.5 | 160 | -73.2 | 169.2 | 0 | 0 | 0 | 118.5 | | |
| 163 | D | 28.7 | Very low | 31.3 | Very low | 137 Ų | 137 | 149.7 Ų | 149.7 | 73% | 0.733 | 79% | 0.789 | S | S | * | * | | | cis | -167 | 175.3 | -22.8 | -178.3 | 32.9 | 0 | 0 | 0 | 108.3 | | |
| 164 | V | 31.2 | Very low | 31.3 | Very low | 132 Ų | 132 | 149.7 Ų | 149.7 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | | | trans | 83.7 | 145.7 | 168.5 | -167.4 | 0 | 0 | 0 | 0 | 116.5 | | |
| 165 | K | 34.4 | Very low | 31.4 | Very low | 182 Ų | 182 | 147.6 Ų | 147.6 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | | | trans | -121.7 | 150.3 | -159.8 | -163.4 | -177.2 | -177.7 | -179.7 | 0 | 110.3 | | |
| 166 | P | 35.3 | Very low | 31.4 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | | | | -135.4 | 168.3 | 108.5 | 36.5 | -26.3 | 0 | 0 | 0 | 113.6 | | |
| 167 | G | 27.6 | Very low | 31.4 | Very low | 71 Ų | 71 | 149.6 Ų | 149.6 | 73% | 0.732 | 78% | 0.781 | S | S | * | * | | | trans | -89.4 | 167.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 168 | L | 30.5 | Very low | 30.3 | Very low | 173 Ų | 173 | 150 Ų | 150 | 91% | 0.906 | 79% | 0.787 | S | S | * | * | | | trans | -113.5 | 133.1 | -175.5 | -172.8 | 83.2 | 0 | 0 | 0 | 110.9 | | |
| 169 | E | 28.1 | Very low | 30 | Very low | 190 Ų | 190 | 151.2 Ų | 151.2 | 89% | 0.888 | 80% | 0.797 | S | S | * | * | | | trans | -139.1 | 133.1 | 163.4 | -73.2 | -159.3 | 134.4 | 0 | 0 | 111.3 | | |
| 170 | Q | 28.8 | Very low | 30 | Very low | 180 Ų | 180 | 149.4 Ų | 149.4 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | | | trans | -165.1 | 118.9 | 163.7 | -99.7 | -79.5 | -2.9 | 0 | 0 | 107.2 | | |
| 171 | P | 39.1 | Very low | 30.2 | Very low | 112 Ų | 112 | 150 Ų | 150 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | trans | -95.3 | 147.3 | -176.1 | 35.4 | -33.5 | 0 | 0 | 0 | 113.4 | | |
| 172 | Q | 30.5 | Very low | 30.2 | Very low | 196 Ų | 196 | 150 Ų | 150 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | | | trans | -105.9 | 129.3 | 171.7 | -171.3 | 174 | 5.2 | 0 | 0 | 110.6 | | |
| 173 | M | 29.2 | Very low | 30.3 | Very low | 165 Ų | 165 | 149 Ų | 149 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | | | trans | -92.3 | 142.8 | 179.1 | -66.4 | -167.1 | -176.5 | 0 | 0 | 112.7 | | |
| 174 | Q | 29 | Very low | 30.4 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 83% | 0.827 | 83% | 0.829 | S | S | * | * | | | trans | -134.4 | 120.5 | 165.1 | 179.7 | 174.6 | -23.7 | 0 | 0 | 108.8 | | |
| 175 | I | 30.6 | Very low | 30.4 | Very low | 134 Ų | 134 | 147.8 Ų | 147.8 | 69% | 0.687 | 83% | 0.826 | S | S | * | * | | | trans | -106.8 | 124.1 | -178.5 | -64.6 | 171.9 | 0 | 0 | 0 | 109 | | |
| 176 | Q | 25.1 | Very low | 30.3 | Very low | 169 Ų | 169 | 145.8 Ų | 145.8 | 79% | 0.79 | 84% | 0.835 | S | S | * | * | | | trans | -127.1 | 128.4 | 171.2 | -175.6 | 164.9 | -13.6 | 0 | 0 | 109.8 | | |
| 177 | Y | 27.8 | Very low | 30.2 | Very low | 209 Ų | 209 | 143.3 Ų | 143.3 | 82% | 0.82 | 83% | 0.832 | S | S | * | * | | | trans | -76.5 | 145.3 | -173 | -68.4 | -93.4 | 0 | 0 | 0 | 112.6 | | |
| 178 | S | 25.7 | Very low | 30.6 | Very low | 130 Ų | 130 | 144.4 Ų | 144.4 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | | | trans | -140 | 132.1 | 158.9 | -76.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 179 | A | 27.9 | Very low | 31.1 | Very low | 98 Ų | 98 | 143.3 Ų | 143.3 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | | | trans | -128.2 | 128.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 180 | S | 30.7 | Very low | 31.7 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 90% | 0.895 | 81% | 0.814 | S | S | * | * | | | trans | -156.6 | 145.9 | 166.1 | -78.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 181 | I | 33.9 | Very low | 32.1 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | | | trans | -105.7 | 139.9 | -166.6 | -54.5 | 161.2 | 0 | 0 | 0 | 108.4 | | |
| 182 | S | 29.6 | Very low | 31.9 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 87% | 0.867 | 81% | 0.814 | S | S | * | * | | | trans | -140.4 | 140.4 | 166.1 | -76.6 | 0 | 0 | 0 | 0 | 111.5 | | |
| 183 | T | 32.4 | Very low | 32.4 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | | | trans | -101.3 | 151.7 | -178.7 | 48.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 184 | N | 31.9 | Very low | 33.3 | Very low | 171 Ų | 171 | 134.3 Ų | 134.3 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | | | trans | -56.8 | 155.1 | 171.5 | -76.1 | -7.8 | 0 | 0 | 0 | 112.8 | | |
| 185 | G | 30.7 | Very low | 33.7 | Very low | 71 Ų | 71 | 134 Ų | 134 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | | | trans | 159.3 | 62.5 | 152.6 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 186 | S | 32.5 | Very low | 33.9 | Very low | 141 Ų | 141 | 136.7 Ų | 136.7 | 99% | 0.986 | 81% | 0.81 | S | S | * | * | | | trans | 68.5 | 149.5 | 158 | -157.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 187 | G | 32 | Very low | 34.7 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | | | trans | 141.9 | 89.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 188 | S | 36.1 | Very low | 35.7 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 66% | 0.657 | 80% | 0.803 | S | S | * | * | | | trans | -78.6 | 150.2 | 176.9 | 173.5 | 0 | 0 | 0 | 0 | 112.2 | | |
| 189 | H | 40.8 | Very low | 36.6 | Very low | 150 Ų | 150 | 128.1 Ų | 128.1 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | | | | 155.8 | 125.6 | 120.7 | -89 | -76.7 | 0 | 0 | 0 | 114.5 | | |
| 190 | H | 41.2 | Very low | 37.4 | Very low | 169 Ų | 169 | 129.5 Ų | 129.5 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | | | trans | 52.9 | 128.3 | 166.1 | -51.9 | -71.8 | 0 | 0 | 0 | 118.8 | | |
| 191 | A | 37.1 | Very low | 38.3 | Very low | 87 Ų | 87 | 129 Ų | 129 | 72% | 0.719 | 79% | 0.791 | S | S | * | * | | | cis | 102.5 | 120 | 15.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 192 | L | 35.5 | Very low | 38.5 | Very low | 163 Ų | 163 | 130.8 Ų | 130.8 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | | | trans | 87.5 | 115.5 | 159.5 | -56.3 | -177.6 | 0 | 0 | 0 | 122 | | |
| 193 | V | 40.2 | Very low | 39.1 | Very low | 132 Ų | 132 | 130.2 Ų | 130.2 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | | | trans | 85.3 | 146.4 | 132.4 | 170.6 | 0 | 0 | 0 | 0 | 118.9 | | |
| 194 | P | 48.3 | Very low | 39.7 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 68% | 0.675 | 80% | 0.797 | S | S | * | * | | | trans | -129.3 | -160.7 | -149.4 | 45.3 | -29.1 | 0 | 0 | 0 | 115.9 | | |
| 195 | H | 37.1 | Very low | 40.9 | Very low | 170 Ų | 170 | 132.6 Ų | 132.6 | 79% | 0.787 | 79% | 0.787 | S | S | * | * | | | trans | 79.6 | 101.7 | 161.7 | -98.9 | 86.8 | 0 | 0 | 0 | 119.3 | | |
| 196 | Q | 36 | Very low | 41.4 | Very low | 191 Ų | 191 | 137.1 Ų | 137.1 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | | | | -173.6 | 172.1 | 98.6 | -101.9 | 179.9 | 95.3 | 0 | 0 | 112.7 | | |
| 197 | A | 40.4 | Very low | 42.3 | Very low | 91 Ų | 91 | 134.1 Ų | 134.1 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | -118.8 | -161.7 | -175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 198 | P | 49.5 | Very low | 42.9 | Very low | 110 Ų | 110 | 137.1 Ų | 137.1 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | | | | -101.5 | 174.9 | -119.5 | 41.8 | -33.1 | 0 | 0 | 0 | 114.8 | | |
| 199 | P | 45 | Very low | 43.6 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -121.7 | 144.6 | 135.9 | 35.7 | -29.4 | 0 | 0 | 0 | 112.7 | | |
| 200 | T | 44 | Very low | 44.4 | Very low | 127 Ų | 127 | 137.9 Ų | 137.9 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -103.1 | -171.3 | 167.7 | 58.4 | 0 | 0 | 0 | 0 | 109.5 | | |
| 201 | P | 49.4 | Very low | 45 | Very low | 116 Ų | 116 | 137 Ų | 137 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | | | | -109.8 | 155.3 | -95.6 | 35.9 | -22.8 | 0 | 0 | 0 | 112.9 | | |
| 202 | Q | 39.6 | Very low | 45.6 | Very low | 201 Ų | 201 | 139 Ų | 139 | 94% | 0.939 | 79% | 0.788 | S | S | * | * | | | trans | -129.4 | 135.7 | 162.8 | -73.2 | -160.3 | -40.2 | 0 | 0 | 112 | | |
| 203 | S | 40.8 | Very low | 46.5 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | | | trans | -108.9 | 143.5 | -178.3 | 49.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 204 | R | 45.2 | Very low | 47.1 | Very low | 246 Ų | 246 | 142.7 Ų | 142.7 | 93% | 0.928 | 79% | 0.787 | S | S | * | * | | | trans | -160.5 | 153.6 | 148.2 | -108.9 | 160.5 | -168.2 | -140.6 | -1.2 | 110.3 | | |
| 205 | P | 57.5 | Low | 47.3 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | | | trans | -93.7 | 162.6 | -169.6 | 37.8 | -35.2 | 0 | 0 | 0 | 112.4 | | |
| 206 | N | 41.2 | Very low | 48 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 88% | 0.882 | 78% | 0.782 | S | S | * | * | | | | -163 | 152.2 | 123.7 | -95.5 | -23.2 | 0 | 0 | 0 | 109.7 | | |
| 207 | G | 51.3 | Low | 48.7 | Very low | 78 Ų | 78 | 138 Ų | 138 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -78.9 | 138 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 208 | V | 45.2 | Very low | 49.4 | Very low | 138 Ų | 138 | 137 Ų | 137 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | | | trans | -122.4 | 144.7 | 161 | 176.7 | 0 | 0 | 0 | 0 | 107.2 | | |
| 209 | T | 50 | Low | 49.6 | Very low | 101 Ų | 101 | 141.2 Ų | 141.2 | 62% | 0.62 | 78% | 0.778 | S | S | * | * | | | trans | -71.5 | 156.2 | -167.3 | 51 | 0 | 0 | 0 | 0 | 113.5 | E211 | T209-E211 PolarHBondContact O-N 3.22Å; T209-E211 VanDerWaalsContact O-N 3.13Å |
| 210 | I | 58.4 | Low | 50.1 | Low | 160 Ų | 160 | 146.2 Ų | 146.2 | 82% | 0.821 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | 10.9 | -175.5 | -153.8 | 167.4 | 0 | 0 | 0 | 113.7 | | |
| 211 | E | 54.2 | Low | 50.8 | Low | 150 Ų | 150 | 151.1 Ų | 151.1 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.9 | -21.1 | -163.5 | -67.5 | 175.7 | 111.6 | 0 | 0 | 114.3 | T209 L213 | T209-E211 PolarHBondContact O-N 3.22Å; T209-E211 VanDerWaalsContact O-N 3.13Å; E211-L213 VanDerWaalsContact C-N 3.33Å; E211-L213 PolarHBondContact O-N 3.28Å |
| 212 | D | 49.8 | Very low | 51.2 | Low | 129 Ų | 129 | 153 Ų | 153 | 69% | 0.69 | 80% | 0.796 | S | S | * | * | G | 310 helix | trans | -81.2 | -9.7 | -172.7 | -151.4 | 12.7 | 0 | 0 | 0 | 114.1 | R214 G215 | D212-R214 PolarHBondContact O-N 2.79Å; D212-G215 PolarHBondContact O-N 2.68Å; D212-G215 VanDerWaalsContact O-N 3.08Å |
| 213 | L | 53.3 | Low | 52 | Low | 157 Ų | 157 | 146.9 Ų | 146.9 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | G | 310 helix | trans | -68.6 | 5.4 | 174.1 | -71.2 | 175.1 | 0 | 0 | 0 | 114.2 | E211 | E211-L213 VanDerWaalsContact C-N 3.33Å; E211-L213 PolarHBondContact O-N 3.28Å |
| 214 | R | 53 | Low | 52.9 | Low | 215 Ų | 215 | 143.7 Ų | 143.7 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -103.7 | -6.1 | 172.7 | -164.6 | 175.5 | -66.9 | -82.6 | 1.3 | 113.2 | D212 | D212-R214 PolarHBondContact O-N 2.79Š|
| 215 | G | 51.6 | Low | 53.8 | Low | 51 Ų | 51 | 136.2 Ų | 136.2 | 53% | 0.526 | 76% | 0.763 | S | S | . | * | S | Bend | trans | -84.2 | -25.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116 | D212 E217 | D212-G215 PolarHBondContact O-N 2.68Å; D212-G215 VanDerWaalsContact O-N 3.08Å; G215-E217 VanDerWaalsContact C-N 3.34Å; G215-E217 PolarHBondContact O-N 2.69Å |
| 216 | M | 51.8 | Low | 54.2 | Low | 171 Ų | 171 | 133 Ų | 133 | 84% | 0.842 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -82.7 | -0.5 | -165.8 | -73.1 | 178.3 | 63.3 | 0 | 0 | 115.9 | G218 | M216-G218 PolarHBondContact O-N 2.9Š|
| 217 | E | 52 | Low | 56 | Low | 144 Ų | 144 | 130.4 Ų | 130.4 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | G | 310 helix | trans | -62.3 | -31.4 | 176.8 | -41.8 | -54.9 | 151.3 | 0 | 0 | 112.5 | G215 K219 | G215-E217 VanDerWaalsContact C-N 3.34Å; G215-E217 PolarHBondContact O-N 2.69Å; E217-K219 VanDerWaalsContact C-N 3.28Å; E217-K219 PolarHBondContact O-N 3.45Å |
| 218 | G | 54.1 | Low | 57.8 | Low | 70 Ų | 70 | 134.8 Ų | 134.8 | 72% | 0.722 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -71.8 | 1 | -160.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | M216 | M216-G218 PolarHBondContact O-N 2.9Š|
| 219 | K | 54 | Low | 60 | Low | 200 Ų | 200 | 132.1 Ų | 132.1 | 87% | 0.87 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -111.6 | 7.2 | -177.1 | -117.4 | 64.3 | 177.1 | -75.4 | 0 | 115.2 | E217 | E217-K219 VanDerWaalsContact C-N 3.28Å; E217-K219 PolarHBondContact O-N 3.45Å |
| 220 | R | 56.3 | Low | 62 | Low | 232 Ų | 232 | 131.5 Ų | 131.5 | 88% | 0.875 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -112.4 | 87.2 | 179.1 | -64.9 | -117.2 | -64.7 | 176.3 | 0.5 | 112.4 | | |
| 221 | R | 57.7 | Low | 63.8 | Low | 229 Ų | 229 | 129.4 Ų | 129.4 | 86% | 0.864 | 69% | 0.693 | S | S | * | * | | | trans | 34.1 | 111.4 | 166.1 | -71.2 | -174.5 | 175.3 | 131.3 | 0.2 | 116.8 | G223 | R221-G223 PolarHBondContact O-N 3.5Š|
| 222 | P | 57.8 | Low | 65.8 | Low | 155 Ų | 155 | 125.7 Ų | 125.7 | 100% | 1.006 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 36.2 | 178.4 | -25.2 | 36.3 | 0 | 0 | 0 | 118.8 | | |
| 223 | G | 56.9 | Low | 68 | Low | 73 Ų | 73 | 127.2 Ų | 127.2 | 75% | 0.753 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.7 | 7.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | R221 | R221-G223 PolarHBondContact O-N 3.5Š|
| 224 | G | 59.8 | Low | 70.1 | Confident | 46 Ų | 46 | 125 Ų | 125 | 47% | 0.474 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -107.1 | -20.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | G226 | G224-G226 PolarHBondContact O-N 2.98Š|
| 225 | A | 63.5 | Low | 72.2 | Confident | 88 Ų | 88 | 116.7 Ų | 116.7 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | 30.9 | -163.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | E229 | A225-E229 VanDerWaalsContact CA-OE2 3.24Å; A225-E229 WeakPolarHBondContact CA-OE2 3.4Å |
| 226 | G | 65.9 | Low | 74.4 | Confident | 42 Ų | 42 | 121.9 Ų | 121.9 | 43% | 0.433 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -124.8 | -46.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G224 R228 E229 V230 | G224-G226 PolarHBondContact O-N 2.98Å; G226-R228 PolarHBondContact O-N 3.33Å; G226-E229 PolarHBondContact N-OE2 3.06Å; G226-E229 PolarHBondContact O-N 3.09Å; G226-V230 WeakPolarHBondContact O-CG2 3.48Å; G226-V230 PolarHBondContact O-N 2.95Å; G226-V230 VanDerWaalsContact O-N 3.1Å |
| 227 | T | 79.8 | Confident | 76.5 | Confident | 109 Ų | 109 | 119 Ų | 119 | 67% | 0.669 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.4 | -39.3 | -179.6 | -40.7 | 0 | 0 | 0 | 0 | 112.6 | E229 H231 | T227-E229 VanDerWaalsContact C-N 3.34Å; T227-H231 WeakPolarHBondContact O-CB 3.49Å; T227-H231 PolarHBondContact O-N 3.35Å |
| 228 | R | 89.1 | Confident | 78.7 | Confident | 171 Ų | 171 | 118.1 Ų | 118.1 | 65% | 0.645 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -66.9 | -37.2 | -179.6 | 179.2 | -171.4 | -171.2 | -149.1 | 7.2 | 111.6 | G226 N232 | G226-R228 PolarHBondContact O-N 3.33Å; R228-N232 VanDerWaalsContact O-CB 3.3Å; R228-N232 WeakPolarHBondContact O-CB 3.42Å; R228-N232 PolarHBondContact O-N 3.26Å; R228-N232 PolarHBondContact O-ND2 3.35Å |
| 229 | E | 90.8 | Very high | 80.8 | Confident | 82 Ų | 82 | 122.3 Ų | 122.3 | 38% | 0.383 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -75.8 | -42.6 | -176.6 | -70.5 | 55.8 | -125.8 | 0 | 0 | 110.4 | A225 G226 T227 N232 K233 | A225-E229 VanDerWaalsContact CA-OE2 3.24Å; A225-E229 WeakPolarHBondContact CA-OE2 3.4Å; G226-E229 PolarHBondContact N-OE2 3.06Å; G226-E229 PolarHBondContact O-N 3.09Å; T227-E229 VanDerWaalsContact C-N 3.34Å; E229-N232 PolarHBondContact O-N 2.86Å; E229-K233 PolarHBondContact O-N 3.31Å |
| 230 | V | 93.3 | Very high | 82.9 | Confident | 87 Ų | 87 | 115.7 Ų | 115.7 | 53% | 0.527 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.9 | -48 | 169.8 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | G226 N232 K233 L234 | G226-V230 WeakPolarHBondContact O-CG2 3.48Å; G226-V230 PolarHBondContact O-N 2.95Å; G226-V230 VanDerWaalsContact O-N 3.1Å; V230-N232 VanDerWaalsContact C-N 3.34Å; V230-N232 PolarHBondContact O-N 3.4Å; V230-K233 WeakPolarHBondContact O-CB 3.41Å; V230-K233 PolarHBondContact O-N 2.96Å; V230-K233 VanDerWaalsContact O-N 3.1Å; V230-L234 HydrophobicContact CG1-CD1 3.93Å; V230-L234 HydrophobicContact CG1-CG 4.36Å; V230-L234 WeakPolarHBondContact O-CG 3.32Å; V230-L234 PolarHBondContact O-N 3.5Å |
| 231 | H | 95.4 | Very high | 84.9 | Confident | 117 Ų | 117 | 110 Ų | 110 | 54% | 0.542 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -56.2 | -46.5 | 175.4 | 174.3 | -87.9 | 0 | 0 | 0 | 111.9 | T227 K233 L234 E235 | T227-H231 WeakPolarHBondContact O-CB 3.49Å; T227-H231 PolarHBondContact O-N 3.35Å; H231-K233 VanDerWaalsContact C-N 3.32Å; H231-K233 PolarHBondContact O-N 2.95Å; H231-L234 PolarHBondContact O-N 2.92Å; H231-E235 WeakPolarHBondContact O-CB 3.35Å; H231-E235 PolarHBondContact O-N 2.8Å |
| 232 | N | 95.8 | Very high | 86.8 | Confident | 72 Ų | 72 | 102.6 Ų | 102.6 | 39% | 0.385 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -63.3 | -34.6 | 176.6 | -76.3 | -24.4 | 0 | 0 | 0 | 112.9 | R228 E229 V230 K236 | R228-N232 VanDerWaalsContact O-CB 3.3Å; R228-N232 WeakPolarHBondContact O-CB 3.42Å; R228-N232 PolarHBondContact O-N 3.26Å; R228-N232 PolarHBondContact O-ND2 3.35Å; E229-N232 PolarHBondContact O-N 2.86Å; V230-N232 VanDerWaalsContact C-N 3.34Å; V230-N232 PolarHBondContact O-N 3.4Å; N232-K236 WeakPolarHBondContact O-CB 3.22Å; N232-K236 VanDerWaalsContact O-CG 3.23Å; N232-K236 WeakPolarHBondContact O-CG 3.46Å; N232-K236 PolarHBondContact O-N 3.03Å; N232-K236 VanDerWaalsContact O-N 3.09Å |
| 233 | K | 96.3 | Very high | 88.6 | Confident | 160 Ų | 160 | 101.5 Ų | 101.5 | 70% | 0.696 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -68.9 | -44.5 | 174.8 | -170.8 | 179.7 | 179.8 | -176.4 | 0 | 111.4 | E229 V230 H231 K236 N237 | E229-K233 PolarHBondContact O-N 3.31Å; V230-K233 WeakPolarHBondContact O-CB 3.41Å; V230-K233 PolarHBondContact O-N 2.96Å; V230-K233 VanDerWaalsContact O-N 3.1Å; H231-K233 VanDerWaalsContact C-N 3.32Å; H231-K233 PolarHBondContact O-N 2.95Å; K233-K236 PolarHBondContact O-N 3.37Å; K233-N237 WeakPolarHBondContact O-CB 3.35Å; K233-N237 PolarHBondContact O-N 3.37Å |
| 234 | L | 96.3 | Very high | 90.6 | Very high | 111 Ų | 111 | 103.9 Ų | 103.9 | 58% | 0.581 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.5 | -45.2 | 177.2 | -68.2 | 173.4 | 0 | 0 | 0 | 111.8 | V230 H231 K236 N237 R238 | V230-L234 HydrophobicContact CG1-CD1 3.93Å; V230-L234 HydrophobicContact CG1-CG 4.36Å; V230-L234 WeakPolarHBondContact O-CG 3.32Å; V230-L234 PolarHBondContact O-N 3.5Å; H231-L234 PolarHBondContact O-N 2.92Å; L234-K236 PolarHBondContact O-N 3.02Å; L234-N237 PolarHBondContact O-N 3.12Å; L234-R238 WeakPolarHBondContact O-CB 3.23Å; L234-R238 PolarHBondContact O-N 2.96Å |
| 235 | E | 97.4 | Very high | 92.4 | Very high | 40 Ų | 40 | 104.3 Ų | 104.3 | 19% | 0.187 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -66.9 | -35 | 177.8 | 175.8 | 59.8 | -176.6 | 0 | 0 | 112.3 | H231 R238 R239 | H231-E235 WeakPolarHBondContact O-CB 3.35Å; H231-E235 PolarHBondContact O-N 2.8Å; E235-R238 VanDerWaalsContact CD-NH2 3.3Å; E235-R238 IonicContact OE1-CZ 3.01Å; E235-R238 IonicContact OE1-NH2 2.69Å; E235-R238 PolarHBondContact OE1-NH2 2.86Å; E235-R238 IonicContact OE2-CZ 3.31Å; E235-R238 VanDerWaalsContact OE2-CZ 3.26Å; E235-R238 IonicContact OE2-NE 3.17Å; E235-R238 PolarHBondContact OE2-NE 3.35Å; E235-R238 IonicContact OE2-NH2 2.84Å; E235-R238 PolarHBondContact OE2-NH2 2.93Å; E235-R239 WeakPolarHBondContact O-CB 3.36Å; E235-R239 VanDerWaalsContact O-CG 3.25Å; E235-R239 WeakPolarHBondContact O-CG 3.47Å; E235-R239 PolarHBondContact O-N 2.96Å; E235-R239 IonicContact OE1-CZ 3.16Å; E235-R239 IonicContact OE1-NE 2.72Å; E235-R239 PolarHBondContact OE1-NE 3.47Å; E235-R239 IonicContact OE1-NH2 2.75Å; E235-R239 PolarHBondContact OE1-NH2 3.15Å |
| 236 | K | 97.5 | Very high | 93.9 | Very high | 160 Ų | 160 | 101.8 Ų | 101.8 | 70% | 0.696 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63 | -45 | 170.1 | -79.1 | 175.7 | 179.8 | -176.7 | 0 | 111.8 | N232 K233 L234 R239 A240 | N232-K236 WeakPolarHBondContact O-CB 3.22Å; N232-K236 VanDerWaalsContact O-CG 3.23Å; N232-K236 WeakPolarHBondContact O-CG 3.46Å; N232-K236 PolarHBondContact O-N 3.03Å; N232-K236 VanDerWaalsContact O-N 3.09Å; K233-K236 PolarHBondContact O-N 3.37Å; L234-K236 PolarHBondContact O-N 3.02Å; K236-R239 PolarHBondContact O-N 3.25Å; K236-A240 PolarHBondContact O-N 3.47Å |
| 237 | N | 97.8 | Very high | 95.3 | Very high | 111 Ų | 111 | 103.5 Ų | 103.5 | 59% | 0.594 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.2 | -45.1 | 177.1 | 173.4 | -99.6 | 0 | 0 | 0 | 111.9 | K233 L234 R239 A240 H241 | K233-N237 WeakPolarHBondContact O-CB 3.35Å; K233-N237 PolarHBondContact O-N 3.37Å; L234-N237 PolarHBondContact O-N 3.12Å; N237-R239 VanDerWaalsContact C-N 3.31Å; N237-R239 PolarHBondContact O-N 3.3Å; N237-A240 WeakPolarHBondContact O-CB 3.28Å; N237-A240 PolarHBondContact O-N 3.3Å; N237-A240 VanDerWaalsContact O-N 3.08Å; N237-H241 PolarHBondContact O-N 3.08Å |
| 238 | R | 98.3 | Very high | 96.1 | Very high | 126 Ų | 126 | 101.6 Ų | 101.6 | 48% | 0.475 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.5 | -40.1 | 174.8 | -166.7 | -167.8 | 67 | 82.1 | 2.7 | 112.2 | L234 E235 L242 | L234-R238 WeakPolarHBondContact O-CB 3.23Å; L234-R238 PolarHBondContact O-N 2.96Å; E235-R238 VanDerWaalsContact CD-NH2 3.3Å; E235-R238 IonicContact OE1-CZ 3.01Å; E235-R238 IonicContact OE1-NH2 2.69Å; E235-R238 PolarHBondContact OE1-NH2 2.86Å; E235-R238 IonicContact OE2-CZ 3.31Å; E235-R238 VanDerWaalsContact OE2-CZ 3.26Å; E235-R238 IonicContact OE2-NE 3.17Å; E235-R238 PolarHBondContact OE2-NE 3.35Å; E235-R238 IonicContact OE2-NH2 2.84Å; E235-R238 PolarHBondContact OE2-NH2 2.93Å; R238-L242 VanDerWaalsContact O-CB 3.27Å; R238-L242 WeakPolarHBondContact O-CB 3.39Å; R238-L242 PolarHBondContact O-N 3.35Å |
| 239 | R | 98 | Very high | 96.4 | Very high | 158 Ų | 158 | 96.2 Ų | 96.2 | 60% | 0.596 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -67.6 | -36.4 | 174.3 | -73.6 | 175.1 | -168.3 | -171.2 | 6.8 | 112.8 | E235 K236 N237 K243 | E235-R239 WeakPolarHBondContact O-CB 3.36Å; E235-R239 VanDerWaalsContact O-CG 3.25Å; E235-R239 WeakPolarHBondContact O-CG 3.47Å; E235-R239 PolarHBondContact O-N 2.96Å; E235-R239 IonicContact OE1-CZ 3.16Å; E235-R239 IonicContact OE1-NE 2.72Å; E235-R239 PolarHBondContact OE1-NE 3.47Å; E235-R239 IonicContact OE1-NH2 2.75Å; E235-R239 PolarHBondContact OE1-NH2 3.15Å; K236-R239 PolarHBondContact O-N 3.25Å; N237-R239 VanDerWaalsContact C-N 3.31Å; N237-R239 PolarHBondContact O-N 3.3Å; R239-K243 PolarHBondContact O-N 3.32Å |
| 240 | A | 98 | Very high | 96.6 | Very high | 60 Ų | 60 | 93.7 Ų | 93.7 | 50% | 0.496 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65 | -50.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | K236 N237 L242 K243 E244 | K236-A240 PolarHBondContact O-N 3.47Å; N237-A240 WeakPolarHBondContact O-CB 3.28Å; N237-A240 PolarHBondContact O-N 3.3Å; N237-A240 VanDerWaalsContact O-N 3.08Å; A240-L242 PolarHBondContact O-N 3.01Å; A240-K243 WeakPolarHBondContact O-CB 3.39Å; A240-K243 PolarHBondContact O-N 3.48Å; A240-K243 VanDerWaalsContact O-N 3.13Å; A240-E244 PolarHBondContact O-N 3.23Å |
| 241 | H | 98.1 | Very high | 96.6 | Very high | 112 Ų | 112 | 97.9 Ų | 97.9 | 52% | 0.519 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 175.4 | -180 | -104.8 | 0 | 0 | 0 | 111.9 | N237 K243 E244 C245 | N237-H241 PolarHBondContact O-N 3.08Å; H241-K243 VanDerWaalsContact C-N 3.27Å; H241-K243 PolarHBondContact O-N 3.4Å; H241-E244 WeakPolarHBondContact O-CB 3.45Å; H241-E244 PolarHBondContact O-N 2.55Å; H241-E244 VanDerWaalsContact O-N 3.09Å; H241-C245 VanDerWaalsContact CE1-SG 3.56Å; H241-C245 PolarHBondContact O-N 3.18Å; H241-C245 PolarHBondContact O-SG 2.74Å |
| 242 | L | 97.7 | Very high | 96.6 | Very high | 75 Ų | 75 | 97.5 Ų | 97.5 | 39% | 0.393 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.2 | -35.8 | 176.1 | -177.8 | 60.2 | 0 | 0 | 0 | 112.3 | R238 A240 C245 F246 | R238-L242 VanDerWaalsContact O-CB 3.27Å; R238-L242 WeakPolarHBondContact O-CB 3.39Å; R238-L242 PolarHBondContact O-N 3.35Å; A240-L242 PolarHBondContact O-N 3.01Å; L242-C245 PolarHBondContact O-N 2.88Å; L242-F246 HydrophobicContact CD1-CD2 4.22Å; L242-F246 HydrophobicContact CD1-CE2 3.86Å; L242-F246 HydrophobicContact CG-CD2 4.15Å; L242-F246 HydrophobicContact CG-CE2 3.96Å; L242-F246 WeakPolarHBondContact O-CD2 3.5Å; L242-F246 PolarHBondContact O-N 2.83Å; L242-F246 VanDerWaalsContact O-N 3.13Å |
| 243 | K | 96 | Very high | 96.6 | Very high | 132 Ų | 132 | 94.7 Ų | 94.7 | 57% | 0.574 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.9 | -44.5 | 173 | -168.9 | -169.4 | 175 | -164.1 | 0 | 111 | R239 A240 H241 C245 F246 E247 | R239-K243 PolarHBondContact O-N 3.32Å; A240-K243 WeakPolarHBondContact O-CB 3.39Å; A240-K243 PolarHBondContact O-N 3.48Å; A240-K243 VanDerWaalsContact O-N 3.13Å; H241-K243 VanDerWaalsContact C-N 3.27Å; H241-K243 PolarHBondContact O-N 3.4Å; K243-C245 VanDerWaalsContact C-N 3.33Å; K243-C245 PolarHBondContact O-N 3.41Å; K243-F246 WeakPolarHBondContact O-CA 3.38Å; K243-F246 WeakPolarHBondContact O-CB 3.41Å; K243-F246 PolarHBondContact O-N 2.73Å; K243-E247 WeakPolarHBondContact CE-OE1 3.35Å; K243-E247 WeakPolarHBondContact O-CG 3.32Å; K243-E247 PolarHBondContact O-N 2.91Å |
| 244 | E | 97.1 | Very high | 96.4 | Very high | 123 Ų | 123 | 90.1 Ų | 90.1 | 58% | 0.575 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -59.2 | -40.8 | 175.4 | -180 | 172.7 | -150.5 | 0 | 0 | 112.3 | A240 H241 F246 E247 T248 | A240-E244 PolarHBondContact O-N 3.23Å; H241-E244 WeakPolarHBondContact O-CB 3.45Å; H241-E244 PolarHBondContact O-N 2.55Å; H241-E244 VanDerWaalsContact O-N 3.09Å; E244-F246 VanDerWaalsContact C-N 3.32Å; E244-F246 PolarHBondContact O-N 3.01Å; E244-E247 PolarHBondContact O-N 2.93Å; E244-T248 VanDerWaalsContact O-CB 3.29Å; E244-T248 WeakPolarHBondContact O-CB 3.41Å; E244-T248 PolarHBondContact O-N 3.31Å; E244-T248 PolarHBondContact O-OG1 2.9Å |
| 245 | C | 97.6 | Very high | 95.7 | Very high | 54 Ų | 54 | 93 Ų | 93 | 37% | 0.365 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -58.6 | -41.4 | 170.4 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | H241 L242 K243 T248 L249 | H241-C245 VanDerWaalsContact CE1-SG 3.56Å; H241-C245 PolarHBondContact O-N 3.18Å; H241-C245 PolarHBondContact O-SG 2.74Å; L242-C245 PolarHBondContact O-N 2.88Å; K243-C245 VanDerWaalsContact C-N 3.33Å; K243-C245 PolarHBondContact O-N 3.41Å; C245-T248 PolarHBondContact O-N 3.3Å; C245-L249 WeakPolarHBondContact O-CB 3.5Å; C245-L249 PolarHBondContact O-N 3.01Å |
| 246 | F | 96.2 | Very high | 95 | Very high | 36 Ų | 36 | 92.1 Ų | 92.1 | 16% | 0.158 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.5 | -42.4 | 177.6 | -86.1 | -65.8 | 0 | 0 | 0 | 113.4 | L242 K243 E244 T248 L249 K250 N263 V266 L267 | L242-F246 HydrophobicContact CD1-CD2 4.22Å; L242-F246 HydrophobicContact CD1-CE2 3.86Å; L242-F246 HydrophobicContact CG-CD2 4.15Å; L242-F246 HydrophobicContact CG-CE2 3.96Å; L242-F246 WeakPolarHBondContact O-CD2 3.5Å; L242-F246 PolarHBondContact O-N 2.83Å; L242-F246 VanDerWaalsContact O-N 3.13Å; K243-F246 WeakPolarHBondContact O-CA 3.38Å; K243-F246 WeakPolarHBondContact O-CB 3.41Å; K243-F246 PolarHBondContact O-N 2.73Å; E244-F246 VanDerWaalsContact C-N 3.32Å; E244-F246 PolarHBondContact O-N 3.01Å; F246-T248 VanDerWaalsContact C-N 3.32Å; F246-L249 PolarHBondContact O-N 3.48Å; F246-K250 VanDerWaalsContact O-CB 3.3Å; F246-K250 WeakPolarHBondContact O-CB 3.26Å; F246-K250 PolarHBondContact O-N 3.38Å; F246-N263 HydrophobicContact CD1-CB 4.2Å; F246-N263 HydrophobicContact CE1-CB 3.85Å; F246-N263 HydrophobicContact CE2-CB 4.31Å; F246-N263 WeakPolarHBondContact CE2-ND2 3.36Å; F246-N263 HydrophobicContact CZ-CB 3.91Å; F246-V266 HydrophobicContact CD1-CB 4.5Å; F246-V266 HydrophobicContact CD1-CG1 4.39Å; F246-L267 HydrophobicContact CE1-CD1 4.2Å; F246-L267 HydrophobicContact CE1-CD2 3.94Å; F246-L267 HydrophobicContact CE1-CG 3.89Å; F246-L267 HydrophobicContact CZ-CD1 4.38Å |
| 247 | E | 94.6 | Very high | 94.1 | Very high | 77 Ų | 77 | 89.4 Ų | 89.4 | 36% | 0.36 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.7 | -35.3 | 175.4 | -59.2 | -62.6 | 171.8 | 0 | 0 | 111.3 | K243 E244 K250 K251 | K243-E247 WeakPolarHBondContact CE-OE1 3.35Å; K243-E247 WeakPolarHBondContact O-CG 3.32Å; K243-E247 PolarHBondContact O-N 2.91Å; E244-E247 PolarHBondContact O-N 2.93Å; E247-K250 PolarHBondContact O-N 2.95Å; E247-K251 WeakPolarHBondContact O-CG 3.43Å; E247-K251 PolarHBondContact O-N 3.01Å; E247-K251 VanDerWaalsContact O-N 3.13Å |
| 248 | T | 96.4 | Very high | 93.1 | Very high | 69 Ų | 69 | 92.6 Ų | 92.6 | 42% | 0.423 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.2 | -45.1 | 175.4 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | E244 C245 F246 K250 K251 N252 | E244-T248 VanDerWaalsContact O-CB 3.29Å; E244-T248 WeakPolarHBondContact O-CB 3.41Å; E244-T248 PolarHBondContact O-N 3.31Å; E244-T248 PolarHBondContact O-OG1 2.9Å; C245-T248 PolarHBondContact O-N 3.3Å; F246-T248 VanDerWaalsContact C-N 3.32Å; T248-K250 VanDerWaalsContact C-N 3.35Å; T248-K250 PolarHBondContact O-N 3.01Å; T248-K251 PolarHBondContact O-N 3.11Å; T248-N252 PolarHBondContact O-N 2.82Å; T248-N252 PolarHBondContact O-ND2 3.11Å |
| 249 | L | 96.3 | Very high | 92.1 | Very high | 59 Ų | 59 | 94.3 Ų | 94.3 | 31% | 0.309 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 173.8 | -179.9 | 59.7 | 0 | 0 | 0 | 111.2 | C245 F246 K251 N252 V253 V266 L267 A270 | C245-L249 WeakPolarHBondContact O-CB 3.5Å; C245-L249 PolarHBondContact O-N 3.01Å; F246-L249 PolarHBondContact O-N 3.48Å; L249-K251 VanDerWaalsContact C-N 3.33Å; L249-K251 PolarHBondContact O-N 3.48Å; L249-N252 PolarHBondContact O-N 3.02Å; L249-V253 HydrophobicContact CD1-CG2 4.47Å; L249-V253 WeakPolarHBondContact O-CG2 3.49Å; L249-V253 PolarHBondContact O-N 3.34Å; L249-V266 HydrophobicContact CB-CG1 4.29Å; L249-V266 HydrophobicContact CD2-CG1 3.93Å; L249-V266 HydrophobicContact CG-CG1 3.9Å; L249-L267 HydrophobicContact CD2-CD2 4.1Å; L249-A270 HydrophobicContact CD1-CB 3.9Å; L249-A270 HydrophobicContact CD2-CB 4.22Å; L249-A270 HydrophobicContact CG-CB 4.23Å |
| 250 | K | 94.9 | Very high | 91.1 | Very high | 29 Ų | 29 | 97.3 Ų | 97.3 | 13% | 0.126 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -55.3 | -44.7 | 176.7 | 171.6 | 172.3 | 170.7 | 175.8 | 0 | 112.5 | F246 E247 T248 N252 V253 V256 D257 E258 T261 V266 | F246-K250 VanDerWaalsContact O-CB 3.3Å; F246-K250 WeakPolarHBondContact O-CB 3.26Å; F246-K250 PolarHBondContact O-N 3.38Å; E247-K250 PolarHBondContact O-N 2.95Å; T248-K250 VanDerWaalsContact C-N 3.35Å; T248-K250 PolarHBondContact O-N 3.01Å; K250-N252 PolarHBondContact O-N 2.86Å; K250-V253 PolarHBondContact O-N 2.89Å; K250-V256 HydrophobicContact CD-CG1 4.27Å; K250-V256 HydrophobicContact CG-CB 4.4Å; K250-V256 HydrophobicContact CG-CG1 3.87Å; K250-D257 WeakPolarHBondContact CE-O 3.32Å; K250-D257 PolarHBondContact NZ-O 3.5Å; K250-D257 VanDerWaalsContact NZ-O 3.1Å; K250-E258 PolarHBondContact NZ-O 2.8Å; K250-T261 WeakPolarHBondContact CE-OG1 3.08Å; K250-T261 PolarHBondContact NZ-OG1 3.31Å; K250-V266 HydrophobicContact CB-CG1 4.24Å; K250-V266 HydrophobicContact CB-CG2 4.38Å |
| 251 | K | 94.3 | Very high | 90.6 | Very high | 175 Ų | 175 | 96.2 Ų | 96.2 | 76% | 0.761 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.7 | -24.2 | 176.2 | -70.4 | 169.9 | -178.1 | -179.7 | 0 | 114.1 | E247 T248 L249 | E247-K251 WeakPolarHBondContact O-CG 3.43Å; E247-K251 PolarHBondContact O-N 3.01Å; E247-K251 VanDerWaalsContact O-N 3.13Å; T248-K251 PolarHBondContact O-N 3.11Å; L249-K251 VanDerWaalsContact C-N 3.33Å; L249-K251 PolarHBondContact O-N 3.48Å |
| 252 | N | 95.3 | Very high | 90.4 | Very high | 109 Ų | 109 | 94.2 Ų | 94.2 | 58% | 0.583 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -1.2 | 179.6 | -77.4 | -92.7 | 0 | 0 | 0 | 113.5 | T248 L249 K250 Y273 | T248-N252 PolarHBondContact O-N 2.82Å; T248-N252 PolarHBondContact O-ND2 3.11Å; L249-N252 PolarHBondContact O-N 3.02Å; K250-N252 PolarHBondContact O-N 2.86Å; N252-Y273 WeakPolarHBondContact O-CE1 3.45Å |
| 253 | V | 94.6 | Very high | 90.2 | Very high | 12 Ų | 12 | 94.9 Ų | 94.9 | 7% | 0.073 | 48% | 0.477 | C | S | . | . | S | Bend | trans | -114.2 | 116.3 | -179.5 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | L249 K250 V256 A270 | L249-V253 HydrophobicContact CD1-CG2 4.47Å; L249-V253 WeakPolarHBondContact O-CG2 3.49Å; L249-V253 PolarHBondContact O-N 3.34Å; K250-V253 PolarHBondContact O-N 2.89Å; V253-V256 HydrophobicContact CB-CG2 3.75Å; V253-V256 HydrophobicContact CG1-CG2 3.52Å; V253-A270 HydrophobicContact CG2-CB 3.72Å |
| 254 | P | 91.9 | Very high | 90.1 | Very high | 64 Ų | 64 | 92.9 Ų | 92.9 | 42% | 0.416 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 146.2 | 176.5 | -27.7 | 35.8 | 0 | 0 | 0 | 113.2 | V256 Y273 | P254-V256 PolarHBondContact O-N 3.31Å; P254-V256 VanDerWaalsContact O-N 3.15Å; P254-Y273 VanDerWaalsContact CD-CE1 3.43Å; P254-Y273 VanDerWaalsContact CD-CZ 3.48Å; P254-Y273 HydrophobicContact CG-CD2 4.15Å; P254-Y273 HydrophobicContact CG-CE1 4.12Å; P254-Y273 HydrophobicContact CG-CE2 3.66Å |
| 255 | N | 81.8 | Confident | 90 | Very high | 171 Ų | 171 | 89.4 Ų | 89.4 | 91% | 0.914 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 20.9 | 171.4 | -50.3 | 91.4 | 0 | 0 | 0 | 115.7 | | |
| 256 | V | 82.4 | Confident | 89.9 | Confident | 22 Ų | 22 | 87 Ų | 87 | 13% | 0.133 | 45% | 0.445 | C | S | . | . | | | trans | -83.4 | 114.2 | 169 | 179.2 | 0 | 0 | 0 | 0 | 109.8 | K250 V253 P254 E258 T261 | K250-V256 HydrophobicContact CD-CG1 4.27Å; K250-V256 HydrophobicContact CG-CB 4.4Å; K250-V256 HydrophobicContact CG-CG1 3.87Å; V253-V256 HydrophobicContact CB-CG2 3.75Å; V253-V256 HydrophobicContact CG1-CG2 3.52Å; P254-V256 PolarHBondContact O-N 3.31Å; P254-V256 VanDerWaalsContact O-N 3.15Å; V256-E258 PolarHBondContact O-N 2.69Å; V256-T261 HydrophobicContact CG1-CG2 3.59Å |
| 257 | D | 79.9 | Confident | 89.9 | Confident | 103 Ų | 103 | 89.4 Ų | 89.4 | 55% | 0.551 | 46% | 0.459 | S | S | * | . | | | trans | -48.3 | 130 | 179.4 | -178.6 | 9.5 | 0 | 0 | 0 | 112.3 | K250 K259 T261 | K250-D257 WeakPolarHBondContact CE-O 3.32Å; K250-D257 PolarHBondContact NZ-O 3.5Å; K250-D257 VanDerWaalsContact NZ-O 3.1Å; D257-K259 VanDerWaalsContact C-N 3.29Å; D257-K259 PolarHBondContact O-N 3.32Å; D257-K259 VanDerWaalsContact O-O 3.12Å; D257-K259 WeakPolarHBondContact OD1-CB 3.41Å; D257-K259 PolarHBondContact OD1-N 3.02Å; D257-T261 PolarHBondContact O-OG1 2.98Å |
| 258 | E | 76.1 | Confident | 90 | Very high | 178 Ų | 178 | 93.4 Ų | 93.4 | 83% | 0.832 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -66.1 | -32 | 177 | -65.4 | -171.8 | 165.7 | 0 | 0 | 112 | K250 V256 | K250-E258 PolarHBondContact NZ-O 2.8Å; V256-E258 PolarHBondContact O-N 2.69Å |
| 259 | K | 76.9 | Confident | 90 | Very high | 162 Ų | 162 | 91 Ų | 91 | 70% | 0.704 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -69.5 | 165.2 | 172.9 | -67.5 | 166.5 | -177.9 | 166.9 | 0 | 110.8 | D257 T261 | D257-K259 VanDerWaalsContact C-N 3.29Å; D257-K259 PolarHBondContact O-N 3.32Å; D257-K259 VanDerWaalsContact O-O 3.12Å; D257-K259 WeakPolarHBondContact OD1-CB 3.41Å; D257-K259 PolarHBondContact OD1-N 3.02Å; K259-T261 VanDerWaalsContact C-N 3.32Å; K259-T261 PolarHBondContact O-N 2.91Å; K259-T261 PolarHBondContact O-OG1 3.5Å; K259-T261 VanDerWaalsContact O-OG1 3.1Å |
| 260 | K | 77.4 | Confident | 90 | Very high | 221 Ų | 221 | 88.6 Ų | 88.6 | 96% | 0.961 | 45% | 0.445 | S | S | * | . | S | Bend | trans | -40.8 | 79.2 | -161.7 | -66.5 | -175.6 | 178.4 | 178.3 | 0 | 116 | | |
| 261 | T | 87.2 | Confident | 90.2 | Very high | 38 Ų | 38 | 92 Ų | 92 | 23% | 0.233 | 46% | 0.464 | C | S | . | . | | | trans | -71.8 | 138 | 175.8 | -23.5 | 0 | 0 | 0 | 0 | 109.8 | K250 V256 D257 K259 V266 | K250-T261 WeakPolarHBondContact CE-OG1 3.08Å; K250-T261 PolarHBondContact NZ-OG1 3.31Å; V256-T261 HydrophobicContact CG1-CG2 3.59Å; D257-T261 PolarHBondContact O-OG1 2.98Å; K259-T261 VanDerWaalsContact C-N 3.32Å; K259-T261 PolarHBondContact O-N 2.91Å; K259-T261 PolarHBondContact O-OG1 3.5Å; K259-T261 VanDerWaalsContact O-OG1 3.1Å; T261-V266 HydrophobicContact CG2-CG2 3.68Å |
| 262 | S | 93.4 | Very high | 90.3 | Very high | 69 Ų | 69 | 90.8 Ų | 90.8 | 48% | 0.483 | 46% | 0.455 | S | S | . | . | | | trans | -76.1 | 141.8 | 167.3 | 176.5 | 0 | 0 | 0 | 0 | 109.9 | L264 S265 V266 | S262-L264 PolarHBondContact O-N 3.32Å; S262-L264 PolarHBondContact OG-N 3.31Å; S262-S265 PolarHBondContact N-OG 3.19Å; S262-S265 PolarHBondContact O-N 2.88Å; S262-S265 PolarHBondContact O-OG 2.87Å; S262-V266 PolarHBondContact O-N 2.69Å |
| 263 | N | 94.1 | Very high | 90.4 | Very high | 90 Ų | 90 | 89.5 Ų | 89.5 | 48% | 0.481 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -50.7 | -35.6 | 173 | -60.8 | 22.8 | 0 | 0 | 0 | 111.4 | F246 V266 L267 | F246-N263 HydrophobicContact CD1-CB 4.2Å; F246-N263 HydrophobicContact CE1-CB 3.85Å; F246-N263 HydrophobicContact CE2-CB 4.31Å; F246-N263 WeakPolarHBondContact CE2-ND2 3.36Å; F246-N263 HydrophobicContact CZ-CB 3.91Å; N263-V266 PolarHBondContact O-N 2.95Å; N263-L267 WeakPolarHBondContact O-CG 3.29Å; N263-L267 PolarHBondContact O-N 3.48Å |
| 264 | L | 95 | Very high | 90.6 | Very high | 90 Ų | 90 | 93.4 Ų | 93.4 | 47% | 0.471 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.7 | -35.7 | 177.5 | -177.3 | 59.5 | 0 | 0 | 0 | 113.1 | S262 R268 | S262-L264 PolarHBondContact O-N 3.32Å; S262-L264 PolarHBondContact OG-N 3.31Å; L264-R268 HydrophobicContact CD1-CG 4.33Å; L264-R268 WeakPolarHBondContact O-CB 3.23Å; L264-R268 VanDerWaalsContact O-CG 3.27Å; L264-R268 WeakPolarHBondContact O-CG 3.32Å; L264-R268 PolarHBondContact O-N 2.92Å |
| 265 | S | 94.3 | Very high | 90.9 | Very high | 49 Ų | 49 | 96 Ų | 96 | 34% | 0.343 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -78.9 | -25.5 | 175.8 | 47.4 | 0 | 0 | 0 | 0 | 112.9 | S262 S269 | S262-S265 PolarHBondContact N-OG 3.19Å; S262-S265 PolarHBondContact O-N 2.88Å; S262-S265 PolarHBondContact O-OG 2.87Å; S265-S269 VanDerWaalsContact O-CB 3.24Å; S265-S269 WeakPolarHBondContact O-CB 3.29Å; S265-S269 PolarHBondContact O-N 3.47Å; S265-S269 VanDerWaalsContact O-N 3.09Å; S265-S269 PolarHBondContact O-OG 2.88Å |
| 266 | V | 95.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 91.3 Ų | 91.3 | 3% | 0.03 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -62.5 | -54.2 | 165.6 | -178.9 | 0 | 0 | 0 | 0 | 109.9 | F246 L249 K250 T261 S262 N263 R268 S269 A270 | F246-V266 HydrophobicContact CD1-CB 4.5Å; F246-V266 HydrophobicContact CD1-CG1 4.39Å; L249-V266 HydrophobicContact CB-CG1 4.29Å; L249-V266 HydrophobicContact CD2-CG1 3.93Å; L249-V266 HydrophobicContact CG-CG1 3.9Å; K250-V266 HydrophobicContact CB-CG1 4.24Å; K250-V266 HydrophobicContact CB-CG2 4.38Å; T261-V266 HydrophobicContact CG2-CG2 3.68Å; S262-V266 PolarHBondContact O-N 2.69Å; N263-V266 PolarHBondContact O-N 2.95Å; V266-R268 PolarHBondContact O-N 3.4Å; V266-S269 PolarHBondContact O-N 3.48Å; V266-S269 VanDerWaalsContact O-N 3.12Å; V266-A270 PolarHBondContact O-N 2.71Å |
| 267 | L | 96.5 | Very high | 92.5 | Very high | 85 Ų | 85 | 94 Ų | 94 | 45% | 0.445 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -58.8 | -46.6 | 179.8 | -67.1 | 171.8 | 0 | 0 | 0 | 112.8 | F246 L249 N263 S269 A270 L271 | F246-L267 HydrophobicContact CE1-CD1 4.2Å; F246-L267 HydrophobicContact CE1-CD2 3.94Å; F246-L267 HydrophobicContact CE1-CG 3.89Å; F246-L267 HydrophobicContact CZ-CD1 4.38Å; L249-L267 HydrophobicContact CD2-CD2 4.1Å; N263-L267 WeakPolarHBondContact O-CG 3.29Å; N263-L267 PolarHBondContact O-N 3.48Å; L267-S269 PolarHBondContact O-N 3.26Å; L267-A270 PolarHBondContact O-N 2.99Å; L267-L271 WeakPolarHBondContact O-CB 3.37Å; L267-L271 PolarHBondContact O-N 2.88Å |
| 268 | R | 95.9 | Very high | 93.4 | Very high | 162 Ų | 162 | 95.8 Ų | 95.8 | 61% | 0.611 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -65.8 | -25.4 | 177.9 | -74.2 | 174.6 | 173.9 | 175.5 | -2 | 113.2 | L264 V266 R272 | L264-R268 HydrophobicContact CD1-CG 4.33Å; L264-R268 WeakPolarHBondContact O-CB 3.23Å; L264-R268 VanDerWaalsContact O-CG 3.27Å; L264-R268 WeakPolarHBondContact O-CG 3.32Å; L264-R268 PolarHBondContact O-N 2.92Å; V266-R268 PolarHBondContact O-N 3.4Å; R268-R272 VanDerWaalsContact O-CG 3.28Å; R268-R272 WeakPolarHBondContact O-CG 3.44Å; R268-R272 PolarHBondContact O-N 3.29Å; R268-R272 PolarHBondContact O-NE 3.11Å |
| 269 | S | 95.9 | Very high | 94.4 | Very high | 18 Ų | 18 | 95.4 Ų | 95.4 | 13% | 0.126 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -86.2 | -38 | 177.5 | -55.7 | 0 | 0 | 0 | 0 | 111.5 | S265 V266 L267 L271 R272 Y273 | S265-S269 VanDerWaalsContact O-CB 3.24Å; S265-S269 WeakPolarHBondContact O-CB 3.29Å; S265-S269 PolarHBondContact O-N 3.47Å; S265-S269 VanDerWaalsContact O-N 3.09Å; S265-S269 PolarHBondContact O-OG 2.88Å; V266-S269 PolarHBondContact O-N 3.48Å; V266-S269 VanDerWaalsContact O-N 3.12Å; L267-S269 PolarHBondContact O-N 3.26Å; S269-L271 PolarHBondContact O-N 3.2Å; S269-R272 PolarHBondContact O-N 3.2Å; S269-R272 PolarHBondContact OG-NH2 2.84Å; S269-Y273 WeakPolarHBondContact O-CB 3.46Å; S269-Y273 PolarHBondContact O-N 3.43Å |
| 270 | A | 97.6 | Very high | 95.5 | Very high | 8 Ų | 8 | 92.6 Ų | 92.6 | 7% | 0.066 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -57.1 | -48.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L249 V253 V266 L267 R272 Y273 I274 | L249-A270 HydrophobicContact CD1-CB 3.9Å; L249-A270 HydrophobicContact CD2-CB 4.22Å; L249-A270 HydrophobicContact CG-CB 4.23Å; V253-A270 HydrophobicContact CG2-CB 3.72Å; V266-A270 PolarHBondContact O-N 2.71Å; L267-A270 PolarHBondContact O-N 2.99Å; A270-R272 PolarHBondContact O-N 2.93Å; A270-Y273 PolarHBondContact O-N 2.96Å; A270-I274 VanDerWaalsContact O-CG1 3.31Å; A270-I274 WeakPolarHBondContact O-CG1 3.3Å; A270-I274 PolarHBondContact O-N 2.97Å |
| 271 | L | 97.8 | Very high | 96.5 | Very high | 102 Ų | 102 | 87.7 Ų | 87.7 | 53% | 0.534 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 179.2 | -177.2 | 145.9 | 0 | 0 | 0 | 112.3 | L267 S269 Q275 | L267-L271 WeakPolarHBondContact O-CB 3.37Å; L267-L271 PolarHBondContact O-N 2.88Å; S269-L271 PolarHBondContact O-N 3.2Å; L271-Q275 WeakPolarHBondContact O-CG 3.29Å; L271-Q275 PolarHBondContact O-N 3.15Å; L271-Q275 VanDerWaalsContact O-N 3.08Å |
| 272 | R | 97.3 | Very high | 97 | Very high | 148 Ų | 148 | 91.6 Ų | 91.6 | 56% | 0.558 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -63.5 | -41.1 | 173.7 | -74.5 | -177.7 | -59.2 | 147.6 | 4.7 | 112.1 | R268 S269 A270 Q275 T276 | R268-R272 VanDerWaalsContact O-CG 3.28Å; R268-R272 WeakPolarHBondContact O-CG 3.44Å; R268-R272 PolarHBondContact O-N 3.29Å; R268-R272 PolarHBondContact O-NE 3.11Å; S269-R272 PolarHBondContact O-N 3.2Å; S269-R272 PolarHBondContact OG-NH2 2.84Å; A270-R272 PolarHBondContact O-N 2.93Å; R272-Q275 PolarHBondContact O-N 3.26Å; R272-T276 PolarHBondContact O-N 3.4Å; R272-T276 PolarHBondContact O-OG1 3.5Å |
| 273 | Y | 97.9 | Very high | 97.3 | Very high | 83 Ų | 83 | 93 Ų | 93 | 33% | 0.325 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.4 | -43.6 | 179.8 | -179 | -131.3 | 0 | 0 | 0 | 111.6 | N252 P254 S269 A270 Q275 T276 L277 | N252-Y273 WeakPolarHBondContact O-CE1 3.45Å; P254-Y273 VanDerWaalsContact CD-CE1 3.43Å; P254-Y273 VanDerWaalsContact CD-CZ 3.48Å; P254-Y273 HydrophobicContact CG-CD2 4.15Å; P254-Y273 HydrophobicContact CG-CE1 4.12Å; P254-Y273 HydrophobicContact CG-CE2 3.66Å; S269-Y273 WeakPolarHBondContact O-CB 3.46Å; S269-Y273 PolarHBondContact O-N 3.43Å; A270-Y273 PolarHBondContact O-N 2.96Å; Y273-Q275 VanDerWaalsContact C-N 3.31Å; Y273-Q275 PolarHBondContact O-N 3.24Å; Y273-T276 PolarHBondContact O-N 2.81Å; Y273-T276 VanDerWaalsContact O-N 3.16Å; Y273-L277 HydrophobicContact CD1-CD1 4.16Å; Y273-L277 HydrophobicContact CD2-CD1 4.49Å; Y273-L277 HydrophobicContact CD2-CG 4.18Å; Y273-L277 HydrophobicContact CE1-CD1 3.74Å; Y273-L277 HydrophobicContact CE1-CG 4.38Å; Y273-L277 HydrophobicContact CE2-CD1 4.1Å; Y273-L277 HydrophobicContact CE2-CD2 3.89Å; Y273-L277 HydrophobicContact CE2-CG 3.83Å; Y273-L277 WeakPolarHBondContact O-CG 3.4Å; Y273-L277 PolarHBondContact O-N 3.08Å |
| 274 | I | 98.3 | Very high | 97.5 | Very high | 94 Ų | 94 | 95.3 Ų | 95.3 | 48% | 0.482 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 173.1 | -66.9 | 163.3 | 0 | 0 | 0 | 111.1 | A270 L277 K278 | A270-I274 VanDerWaalsContact O-CG1 3.31Å; A270-I274 WeakPolarHBondContact O-CG1 3.3Å; A270-I274 PolarHBondContact O-N 2.97Å; I274-L277 PolarHBondContact O-N 2.96Å; I274-K278 WeakPolarHBondContact O-CG 3.41Å; I274-K278 PolarHBondContact O-N 3.28Å |
| 275 | Q | 98.5 | Very high | 97.7 | Very high | 119 Ų | 119 | 96.3 Ų | 96.3 | 56% | 0.556 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.3 | -39.6 | 175.3 | -73.4 | 172.2 | -24.6 | 0 | 0 | 112.7 | L271 R272 Y273 R279 | L271-Q275 WeakPolarHBondContact O-CG 3.29Å; L271-Q275 PolarHBondContact O-N 3.15Å; L271-Q275 VanDerWaalsContact O-N 3.08Å; R272-Q275 PolarHBondContact O-N 3.26Å; Y273-Q275 VanDerWaalsContact C-N 3.31Å; Y273-Q275 PolarHBondContact O-N 3.24Å; Q275-R279 PolarHBondContact O-N 3.08Å; Q275-R279 VanDerWaalsContact O-N 3.15Å |
| 276 | T | 98.2 | Very high | 97.9 | Very high | 72 Ų | 72 | 98.7 Ų | 98.7 | 44% | 0.442 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.6 | -42.5 | 174.3 | -61.7 | 0 | 0 | 0 | 0 | 111.8 | R272 Y273 R279 K280 | R272-T276 PolarHBondContact O-N 3.4Å; R272-T276 PolarHBondContact O-OG1 3.5Å; Y273-T276 PolarHBondContact O-N 2.81Å; Y273-T276 VanDerWaalsContact O-N 3.16Å; T276-R279 PolarHBondContact O-N 3.39Å; T276-K280 PolarHBondContact O-N 3.16Å |
| 277 | L | 98.5 | Very high | 98 | Very high | 79 Ų | 79 | 102.1 Ų | 102.1 | 41% | 0.414 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 176.3 | -73 | 178.2 | 0 | 0 | 0 | 111.3 | Y273 I274 R279 K280 E281 | Y273-L277 HydrophobicContact CD1-CD1 4.16Å; Y273-L277 HydrophobicContact CD2-CD1 4.49Å; Y273-L277 HydrophobicContact CD2-CG 4.18Å; Y273-L277 HydrophobicContact CE1-CD1 3.74Å; Y273-L277 HydrophobicContact CE1-CG 4.38Å; Y273-L277 HydrophobicContact CE2-CD1 4.1Å; Y273-L277 HydrophobicContact CE2-CD2 3.89Å; Y273-L277 HydrophobicContact CE2-CG 3.83Å; Y273-L277 WeakPolarHBondContact O-CG 3.4Å; Y273-L277 PolarHBondContact O-N 3.08Å; I274-L277 PolarHBondContact O-N 2.96Å; L277-R279 PolarHBondContact O-N 2.91Å; L277-K280 PolarHBondContact O-N 2.93Å; L277-K280 VanDerWaalsContact O-N 3.08Å; L277-E281 WeakPolarHBondContact O-CB 3.26Å; L277-E281 PolarHBondContact O-N 3.2Å |
| 278 | K | 98.5 | Very high | 98.1 | Very high | 139 Ų | 139 | 104.5 Ų | 104.5 | 60% | 0.604 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.5 | -25.8 | 176.5 | -73.5 | -165.7 | 170.8 | -152.7 | 0 | 114.3 | I274 | I274-K278 WeakPolarHBondContact O-CG 3.41Å; I274-K278 PolarHBondContact O-N 3.28Å |
| 279 | R | 98.6 | Very high | 98.3 | Very high | 171 Ų | 171 | 101 Ų | 101 | 65% | 0.645 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -73.9 | -48 | 170.7 | -163.9 | -168.1 | -64.5 | 175.8 | -1.5 | 110.8 | Q275 T276 L277 E281 K282 E283 | Q275-R279 PolarHBondContact O-N 3.08Å; Q275-R279 VanDerWaalsContact O-N 3.15Å; T276-R279 PolarHBondContact O-N 3.39Å; L277-R279 PolarHBondContact O-N 2.91Å; R279-E281 VanDerWaalsContact C-N 3.32Å; R279-E281 PolarHBondContact O-N 2.84Å; R279-K282 PolarHBondContact O-N 2.89Å; R279-E283 WeakPolarHBondContact CD-OE1 3.42Å; R279-E283 HydrophobicContact CG-CG 4.46Å; R279-E283 VanDerWaalsContact CG-OE1 3.23Å; R279-E283 WeakPolarHBondContact CG-OE1 3.32Å; R279-E283 WeakPolarHBondContact O-CG 3.23Å; R279-E283 PolarHBondContact O-N 2.75Å |
| 280 | K | 98.4 | Very high | 98.4 | Very high | 103 Ų | 103 | 105.4 Ų | 105.4 | 45% | 0.448 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.8 | -37.9 | 178.5 | -76.3 | -165.5 | 168 | -159.5 | 0 | 113.3 | T276 L277 K282 E283 F284 | T276-K280 PolarHBondContact O-N 3.16Å; L277-K280 PolarHBondContact O-N 2.93Å; L277-K280 VanDerWaalsContact O-N 3.08Å; K280-K282 PolarHBondContact O-N 3.49Å; K280-E283 PolarHBondContact O-N 2.9Å; K280-F284 HydrophobicContact CB-CD2 4.39Å; K280-F284 HydrophobicContact CB-CE2 4.11Å; K280-F284 WeakPolarHBondContact O-CB 3.36Å; K280-F284 WeakPolarHBondContact O-CD2 3.38Å; K280-F284 WeakPolarHBondContact O-CG 3.43Å; K280-F284 PolarHBondContact O-N 3.44Å |
| 281 | E | 98.6 | Very high | 98.5 | Very high | 117 Ų | 117 | 109.2 Ų | 109.2 | 55% | 0.547 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -49.9 | -56.2 | 170.9 | -176.2 | 169.3 | -121.1 | 0 | 0 | 110.2 | L277 R279 E283 F284 E285 | L277-E281 WeakPolarHBondContact O-CB 3.26Å; L277-E281 PolarHBondContact O-N 3.2Å; R279-E281 VanDerWaalsContact C-N 3.32Å; R279-E281 PolarHBondContact O-N 2.84Å; E281-E283 PolarHBondContact O-N 3.09Å; E281-F284 PolarHBondContact O-N 3.3Å; E281-E285 WeakPolarHBondContact O-CG 3.02Å; E281-E285 PolarHBondContact O-N 2.82Å |
| 282 | K | 98.6 | Very high | 98.5 | Very high | 120 Ų | 120 | 106.6 Ų | 106.6 | 52% | 0.522 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -34.2 | 175.6 | -178 | 168.3 | -179.9 | 172.1 | 0 | 114.5 | R279 K280 F284 E285 H286 | R279-K282 PolarHBondContact O-N 2.89Å; K280-K282 PolarHBondContact O-N 3.49Å; K282-F284 VanDerWaalsContact C-N 3.33Å; K282-E285 PolarHBondContact O-N 3.38Å; K282-H286 WeakPolarHBondContact CE-NE2 3.31Å; K282-H286 PolarHBondContact O-CD2 2.88Å; K282-H286 VanDerWaalsContact O-CD2 3.29Å; K282-H286 PolarHBondContact O-N 3.13Å; K282-H286 VanDerWaalsContact O-N 3.11Å |
| 283 | E | 98.6 | Very high | 98.6 | Very high | 98 Ų | 98 | 107.3 Ų | 107.3 | 46% | 0.458 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.5 | -41 | 173.7 | -70.3 | 162.2 | -176 | 0 | 0 | 110.7 | R279 K280 E281 E287 | R279-E283 WeakPolarHBondContact CD-OE1 3.42Å; R279-E283 HydrophobicContact CG-CG 4.46Å; R279-E283 VanDerWaalsContact CG-OE1 3.23Å; R279-E283 WeakPolarHBondContact CG-OE1 3.32Å; R279-E283 WeakPolarHBondContact O-CG 3.23Å; R279-E283 PolarHBondContact O-N 2.75Å; K280-E283 PolarHBondContact O-N 2.9Å; E281-E283 PolarHBondContact O-N 3.09Å; E283-E287 WeakPolarHBondContact O-CB 3.5Å; E283-E287 PolarHBondContact O-N 3.44Å |
| 284 | F | 98.8 | Very high | 98.6 | Very high | 139 Ų | 139 | 107.8 Ų | 107.8 | 61% | 0.61 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -73.2 | -35.1 | 175.9 | -67.1 | -51.4 | 0 | 0 | 0 | 113.4 | K280 E281 K282 E287 M288 | K280-F284 HydrophobicContact CB-CD2 4.39Å; K280-F284 HydrophobicContact CB-CE2 4.11Å; K280-F284 WeakPolarHBondContact O-CB 3.36Å; K280-F284 WeakPolarHBondContact O-CD2 3.38Å; K280-F284 WeakPolarHBondContact O-CG 3.43Å; K280-F284 PolarHBondContact O-N 3.44Å; E281-F284 PolarHBondContact O-N 3.3Å; K282-F284 VanDerWaalsContact C-N 3.33Å; F284-E287 PolarHBondContact O-N 3.02Å; F284-M288 VanDerWaalsContact O-CB 3.26Å; F284-M288 WeakPolarHBondContact O-CB 3.43Å; F284-M288 PolarHBondContact O-N 3.41Å |
| 285 | E | 98.6 | Very high | 98.7 | Very high | 112 Ų | 112 | 109.3 Ų | 109.3 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.2 | -48.4 | 170.9 | -73.3 | 174.5 | 155.4 | 0 | 0 | 111.1 | E281 K282 M288 E289 | E281-E285 WeakPolarHBondContact O-CG 3.02Å; E281-E285 PolarHBondContact O-N 2.82Å; K282-E285 PolarHBondContact O-N 3.38Å; E285-M288 PolarHBondContact O-N 3.33Å; E285-E289 PolarHBondContact O-N 3.48Å |
| 286 | H | 98.8 | Very high | 98.7 | Very high | 98 Ų | 98 | 106.9 Ų | 106.9 | 45% | 0.454 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.6 | -39 | 177.8 | -75.5 | -48.4 | 0 | 0 | 0 | 113.1 | K282 E289 R290 | K282-H286 WeakPolarHBondContact CE-NE2 3.31Å; K282-H286 PolarHBondContact O-CD2 2.88Å; K282-H286 VanDerWaalsContact O-CD2 3.29Å; K282-H286 PolarHBondContact O-N 3.13Å; K282-H286 VanDerWaalsContact O-N 3.11Å; H286-E289 PolarHBondContact O-N 3.39Å; H286-R290 WeakPolarHBondContact O-CB 3.36Å; H286-R290 PolarHBondContact O-N 2.71Å |
| 287 | E | 98.8 | Very high | 98.7 | Very high | 77 Ų | 77 | 106.8 Ų | 106.8 | 36% | 0.36 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.3 | -36.9 | 177.2 | -174.9 | 55 | -153 | 0 | 0 | 111.8 | E283 F284 R290 L291 | E283-E287 WeakPolarHBondContact O-CB 3.5Å; E283-E287 PolarHBondContact O-N 3.44Å; F284-E287 PolarHBondContact O-N 3.02Å; E287-R290 VanDerWaalsContact CD-NE 3.3Å; E287-R290 PolarHBondContact O-N 2.97Å; E287-R290 IonicContact OE1-CZ 2.74Å; E287-R290 VanDerWaalsContact OE1-CZ 3.24Å; E287-R290 IonicContact OE1-NE 2.73Å; E287-R290 PolarHBondContact OE1-NE 3.19Å; E287-R290 IonicContact OE1-NH2 3.8Å; E287-R290 PolarHBondContact OE1-NH2 3.34Å; E287-R290 WeakPolarHBondContact OE2-CD 2.98Å; E287-R290 IonicContact OE2-CZ 3.66Å; E287-R290 IonicContact OE2-NE 3.32Å; E287-R290 PolarHBondContact OE2-NE 3.46Å; E287-L291 HydrophobicContact CG-CD1 4.06Å; E287-L291 WeakPolarHBondContact O-CB 3.44Å; E287-L291 VanDerWaalsContact O-CG 3.31Å; E287-L291 WeakPolarHBondContact O-CG 3.34Å; E287-L291 PolarHBondContact O-N 3.43Å |
| 288 | M | 98.8 | Very high | 98.7 | Very high | 136 Ų | 136 | 106.6 Ų | 106.6 | 67% | 0.67 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.7 | -42.1 | 171.6 | -178.2 | 177.5 | 65.4 | 0 | 0 | 111.6 | F284 E285 A292 | F284-M288 VanDerWaalsContact O-CB 3.26Å; F284-M288 WeakPolarHBondContact O-CB 3.43Å; F284-M288 PolarHBondContact O-N 3.41Å; E285-M288 PolarHBondContact O-N 3.33Å; M288-A292 VanDerWaalsContact O-CB 3.3Å; M288-A292 WeakPolarHBondContact O-CB 3.33Å; M288-A292 PolarHBondContact O-N 3.45Å |
| 289 | E | 98.8 | Very high | 98.7 | Very high | 87 Ų | 87 | 103.8 Ų | 103.8 | 41% | 0.407 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 174.2 | -163.7 | -160.8 | 155.3 | 0 | 0 | 111.6 | E285 H286 A292 R293 | E285-E289 PolarHBondContact O-N 3.48Å; H286-E289 PolarHBondContact O-N 3.39Å; E289-A292 PolarHBondContact O-N 3.48Å; E289-R293 VanDerWaalsContact O-CG 3.32Å; E289-R293 WeakPolarHBondContact O-CG 3.07Å; E289-R293 PolarHBondContact O-N 3.17Å; E289-R293 IonicContact OE1-CZ 2.93Å; E289-R293 IonicContact OE1-NE 3.86Å; E289-R293 PolarHBondContact OE1-NE 3.21Å; E289-R293 IonicContact OE1-NH2 2.96Å; E289-R293 PolarHBondContact OE1-NH2 3.27Å |
| 290 | R | 98.8 | Very high | 98.7 | Very high | 112 Ų | 112 | 100.9 Ų | 100.9 | 42% | 0.423 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.1 | -49.3 | 177.7 | -164.8 | -160.4 | 68.7 | 64.7 | 6.7 | 111.2 | H286 E287 A292 R293 E294 | H286-R290 WeakPolarHBondContact O-CB 3.36Å; H286-R290 PolarHBondContact O-N 2.71Å; E287-R290 VanDerWaalsContact CD-NE 3.3Å; E287-R290 PolarHBondContact O-N 2.97Å; E287-R290 IonicContact OE1-CZ 2.74Å; E287-R290 VanDerWaalsContact OE1-CZ 3.24Å; E287-R290 IonicContact OE1-NE 2.73Å; E287-R290 PolarHBondContact OE1-NE 3.19Å; E287-R290 IonicContact OE1-NH2 3.8Å; E287-R290 PolarHBondContact OE1-NH2 3.34Å; E287-R290 WeakPolarHBondContact OE2-CD 2.98Å; E287-R290 IonicContact OE2-CZ 3.66Å; E287-R290 IonicContact OE2-NE 3.32Å; E287-R290 PolarHBondContact OE2-NE 3.46Å; R290-A292 PolarHBondContact O-N 3.5Å; R290-R293 PolarHBondContact O-N 3.39Å; R290-E294 IonicContact CZ-OE2 3.26Å; R290-E294 IonicContact NH1-OE2 2.96Å; R290-E294 PolarHBondContact NH1-OE2 3.1Å; R290-E294 IonicContact NH2-OE2 2.71Å; R290-E294 PolarHBondContact NH2-OE2 3.41Å; R290-E294 WeakPolarHBondContact O-CB 3.49Å; R290-E294 PolarHBondContact O-N 3.38Å |
| 291 | L | 98.9 | Very high | 98.7 | Very high | 87 Ų | 87 | 100.9 Ų | 100.9 | 46% | 0.455 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.6 | -36.1 | 176.9 | -74.4 | 165.9 | 0 | 0 | 0 | 112.4 | E287 K295 | E287-L291 HydrophobicContact CG-CD1 4.06Å; E287-L291 WeakPolarHBondContact O-CB 3.44Å; E287-L291 VanDerWaalsContact O-CG 3.31Å; E287-L291 WeakPolarHBondContact O-CG 3.34Å; E287-L291 PolarHBondContact O-N 3.43Å; L291-K295 VanDerWaalsContact O-CB 3.23Å; L291-K295 WeakPolarHBondContact O-CB 3.23Å; L291-K295 PolarHBondContact O-N 3.3Å |
| 292 | A | 98.8 | Very high | 98.6 | Very high | 48 Ų | 48 | 100.1 Ų | 100.1 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.7 | -42.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | M288 E289 R290 K295 I296 | M288-A292 VanDerWaalsContact O-CB 3.3Å; M288-A292 WeakPolarHBondContact O-CB 3.33Å; M288-A292 PolarHBondContact O-N 3.45Å; E289-A292 PolarHBondContact O-N 3.48Å; R290-A292 PolarHBondContact O-N 3.5Å; A292-K295 PolarHBondContact O-N 2.87Å; A292-I296 VanDerWaalsContact O-CG1 3.29Å; A292-I296 WeakPolarHBondContact O-CG1 3.42Å; A292-I296 PolarHBondContact O-N 2.9Å |
| 293 | R | 98.8 | Very high | 98.5 | Very high | 162 Ų | 162 | 97.3 Ų | 97.3 | 61% | 0.611 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.4 | -43.2 | 174.9 | -69.9 | 169.5 | 178.2 | -79 | 2.6 | 112 | E289 R290 I296 S297 | E289-R293 VanDerWaalsContact O-CG 3.32Å; E289-R293 WeakPolarHBondContact O-CG 3.07Å; E289-R293 PolarHBondContact O-N 3.17Å; E289-R293 IonicContact OE1-CZ 2.93Å; E289-R293 IonicContact OE1-NE 3.86Å; E289-R293 PolarHBondContact OE1-NE 3.21Å; E289-R293 IonicContact OE1-NH2 2.96Å; E289-R293 PolarHBondContact OE1-NH2 3.27Å; R290-R293 PolarHBondContact O-N 3.39Å; R293-I296 PolarHBondContact O-N 3.4Å; R293-S297 PolarHBondContact O-N 3.4Å |
| 294 | E | 98.8 | Very high | 98.5 | Very high | 94 Ų | 94 | 96.9 Ų | 96.9 | 44% | 0.439 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -59.8 | -49.8 | 174.3 | -177.3 | 172.1 | -165.6 | 0 | 0 | 111.1 | R290 I296 S297 T298 | R290-E294 IonicContact CZ-OE2 3.26Å; R290-E294 IonicContact NH1-OE2 2.96Å; R290-E294 PolarHBondContact NH1-OE2 3.1Å; R290-E294 IonicContact NH2-OE2 2.71Å; R290-E294 PolarHBondContact NH2-OE2 3.41Å; R290-E294 WeakPolarHBondContact O-CB 3.49Å; R290-E294 PolarHBondContact O-N 3.38Å; E294-I296 VanDerWaalsContact C-N 3.33Å; E294-I296 PolarHBondContact O-N 3.1Å; E294-S297 WeakPolarHBondContact O-CB 3.37Å; E294-S297 PolarHBondContact O-N 3.42Å; E294-S297 VanDerWaalsContact O-N 3.11Å; E294-T298 PolarHBondContact O-N 3.46Å; E294-T298 PolarHBondContact O-OG1 3.21Å; E294-T298 VanDerWaalsContact O-OG1 3.11Å |
| 295 | K | 98.8 | Very high | 98.3 | Very high | 126 Ų | 126 | 94.1 Ų | 94.1 | 55% | 0.548 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -56.7 | -42.6 | 176.1 | -179.4 | 175.7 | 179.3 | 176.5 | 0 | 112.6 | L291 A292 Q299 | L291-K295 VanDerWaalsContact O-CB 3.23Å; L291-K295 WeakPolarHBondContact O-CB 3.23Å; L291-K295 PolarHBondContact O-N 3.3Å; A292-K295 PolarHBondContact O-N 2.87Å; K295-Q299 WeakPolarHBondContact O-CB 3.32Å; K295-Q299 VanDerWaalsContact O-CG 3.23Å; K295-Q299 WeakPolarHBondContact O-CG 3.38Å; K295-Q299 PolarHBondContact O-N 2.82Å |
| 296 | I | 98.7 | Very high | 97.9 | Very high | 67 Ų | 67 | 96 Ų | 96 | 34% | 0.344 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 176.1 | -70.8 | 164.5 | 0 | 0 | 0 | 110.5 | A292 R293 E294 T298 Q299 Q300 | A292-I296 VanDerWaalsContact O-CG1 3.29Å; A292-I296 WeakPolarHBondContact O-CG1 3.42Å; A292-I296 PolarHBondContact O-N 2.9Å; R293-I296 PolarHBondContact O-N 3.4Å; E294-I296 VanDerWaalsContact C-N 3.33Å; E294-I296 PolarHBondContact O-N 3.1Å; I296-T298 PolarHBondContact O-N 2.97Å; I296-Q299 PolarHBondContact O-N 2.86Å; I296-Q300 HydrophobicContact CG2-CG 4.39Å; I296-Q300 WeakPolarHBondContact O-CB 3.31Å; I296-Q300 WeakPolarHBondContact O-CG 3.37Å; I296-Q300 PolarHBondContact O-N 3.45Å |
| 297 | S | 98.8 | Very high | 97.6 | Very high | 71 Ų | 71 | 95.6 Ų | 95.6 | 50% | 0.497 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -59.4 | -45.9 | 177 | -177.1 | 0 | 0 | 0 | 0 | 112.2 | R293 E294 Q299 Q300 R301 | R293-S297 PolarHBondContact O-N 3.4Å; E294-S297 WeakPolarHBondContact O-CB 3.37Å; E294-S297 PolarHBondContact O-N 3.42Å; E294-S297 VanDerWaalsContact O-N 3.11Å; S297-Q299 PolarHBondContact O-N 2.99Å; S297-Q300 PolarHBondContact O-N 3Å; S297-R301 PolarHBondContact O-N 2.92Å |
| 298 | T | 98.4 | Very high | 97.4 | Very high | 75 Ų | 75 | 95.8 Ų | 95.8 | 46% | 0.46 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.9 | -40.6 | 175.4 | -50.2 | 0 | 0 | 0 | 0 | 112.1 | E294 I296 R301 L302 | E294-T298 PolarHBondContact O-N 3.46Å; E294-T298 PolarHBondContact O-OG1 3.21Å; E294-T298 VanDerWaalsContact O-OG1 3.11Å; I296-T298 PolarHBondContact O-N 2.97Å; T298-R301 PolarHBondContact O-N 2.94Å; T298-L302 HydrophobicContact CG2-CD1 4.26Å; T298-L302 WeakPolarHBondContact O-CB 3.41Å; T298-L302 VanDerWaalsContact O-CG 3.29Å; T298-L302 WeakPolarHBondContact O-CG 3.39Å; T298-L302 PolarHBondContact O-N 3.13Å |
| 299 | Q | 98.6 | Very high | 96.9 | Very high | 79 Ų | 79 | 92.8 Ų | 92.8 | 37% | 0.369 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -66.4 | -37.2 | 176.5 | -76.1 | 179.7 | -28.9 | 0 | 0 | 112.3 | K295 I296 S297 A303 | K295-Q299 WeakPolarHBondContact O-CB 3.32Å; K295-Q299 VanDerWaalsContact O-CG 3.23Å; K295-Q299 WeakPolarHBondContact O-CG 3.38Å; K295-Q299 PolarHBondContact O-N 2.82Å; I296-Q299 PolarHBondContact O-N 2.86Å; S297-Q299 PolarHBondContact O-N 2.99Å; Q299-A303 WeakPolarHBondContact O-CB 3.4Å; Q299-A303 PolarHBondContact O-N 3.03Å |
| 300 | Q | 98.7 | Very high | 96.4 | Very high | 111 Ų | 111 | 91.8 Ų | 91.8 | 52% | 0.519 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.2 | -50.1 | 172.1 | -74.9 | 170.1 | -31.4 | 0 | 0 | 110.7 | I296 S297 L302 A303 E304 | I296-Q300 HydrophobicContact CG2-CG 4.39Å; I296-Q300 WeakPolarHBondContact O-CB 3.31Å; I296-Q300 WeakPolarHBondContact O-CG 3.37Å; I296-Q300 PolarHBondContact O-N 3.45Å; S297-Q300 PolarHBondContact O-N 3Å; Q300-L302 VanDerWaalsContact C-N 3.29Å; Q300-L302 PolarHBondContact O-N 3.35Å; Q300-A303 WeakPolarHBondContact O-CA 3.34Å; Q300-A303 WeakPolarHBondContact O-CB 3.49Å; Q300-A303 PolarHBondContact O-N 3.38Å; Q300-E304 WeakPolarHBondContact O-CG 3.29Å; Q300-E304 PolarHBondContact O-N 3.12Å |
| 301 | R | 98.3 | Very high | 95.9 | Very high | 102 Ų | 102 | 93 Ų | 93 | 39% | 0.385 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.1 | -32.3 | 178.8 | -170.8 | 59.5 | -167.7 | 146.8 | 11.6 | 113.1 | S297 T298 E304 L305 E308 | S297-R301 PolarHBondContact O-N 2.92Å; T298-R301 PolarHBondContact O-N 2.94Å; R301-E304 WeakPolarHBondContact CD-OE2 3.48Å; R301-E304 IonicContact CZ-OE2 2.69Å; R301-E304 IonicContact NE-OE2 3.24Å; R301-E304 IonicContact NH1-OE2 3.94Å; R301-E304 PolarHBondContact NH1-OE2 3.13Å; R301-L305 HydrophobicContact CG-CD1 4.14Å; R301-L305 VanDerWaalsContact NH2-CD2 3.26Å; R301-L305 WeakPolarHBondContact O-CB 3.32Å; R301-L305 VanDerWaalsContact O-CG 3.29Å; R301-L305 WeakPolarHBondContact O-CG 3.42Å; R301-L305 PolarHBondContact O-N 3.03Å; R301-E308 IonicContact CZ-OE1 3.61Å; R301-E308 IonicContact NH1-OE1 2.69Å; R301-E308 PolarHBondContact NH1-OE1 3.08Å; R301-E308 IonicContact NH2-OE1 2.71Å; R301-E308 PolarHBondContact NH2-OE1 2.72Å; R301-E308 IonicContact NH2-OE2 3.66Å; R301-E308 PolarHBondContact NH2-OE2 3.46Å |
| 302 | L | 97.4 | Very high | 95.3 | Very high | 102 Ų | 102 | 95.4 Ų | 95.4 | 53% | 0.534 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.3 | -34.5 | 171.6 | -74.7 | 170.8 | 0 | 0 | 0 | 112.9 | T298 Q300 K306 | T298-L302 HydrophobicContact CG2-CD1 4.26Å; T298-L302 WeakPolarHBondContact O-CB 3.41Å; T298-L302 VanDerWaalsContact O-CG 3.29Å; T298-L302 WeakPolarHBondContact O-CG 3.39Å; T298-L302 PolarHBondContact O-N 3.13Å; Q300-L302 VanDerWaalsContact C-N 3.29Å; Q300-L302 PolarHBondContact O-N 3.35Å; L302-K306 WeakPolarHBondContact O-CB 3.44Å; L302-K306 WeakPolarHBondContact O-CG 3.21Å; L302-K306 PolarHBondContact O-N 3.45Å; L302-K306 VanDerWaalsContact O-N 3.12Å |
| 303 | A | 96.6 | Very high | 94.4 | Very high | 60 Ų | 60 | 95.9 Ų | 95.9 | 50% | 0.496 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -71.8 | -41.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q299 Q300 K306 N307 | Q299-A303 WeakPolarHBondContact O-CB 3.4Å; Q299-A303 PolarHBondContact O-N 3.03Å; Q300-A303 WeakPolarHBondContact O-CA 3.34Å; Q300-A303 WeakPolarHBondContact O-CB 3.49Å; Q300-A303 PolarHBondContact O-N 3.38Å; A303-K306 PolarHBondContact O-N 3.42Å; A303-N307 WeakPolarHBondContact O-CB 3.25Å; A303-N307 PolarHBondContact O-N 2.88Å |
| 304 | E | 96.8 | Very high | 93.6 | Very high | 90 Ų | 90 | 92.8 Ų | 92.8 | 42% | 0.421 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -57.3 | -54.1 | 172 | -70.3 | 165.2 | -160.5 | 0 | 0 | 111.2 | Q300 R301 K306 N307 E308 | Q300-E304 WeakPolarHBondContact O-CG 3.29Å; Q300-E304 PolarHBondContact O-N 3.12Å; R301-E304 WeakPolarHBondContact CD-OE2 3.48Å; R301-E304 IonicContact CZ-OE2 2.69Å; R301-E304 IonicContact NE-OE2 3.24Å; R301-E304 IonicContact NH1-OE2 3.94Å; R301-E304 PolarHBondContact NH1-OE2 3.13Å; E304-K306 VanDerWaalsContact C-N 3.29Å; E304-K306 PolarHBondContact O-N 2.99Å; E304-N307 CarbonylContact O-C 3.59Å; E304-N307 WeakPolarHBondContact O-CA 3.42Å; E304-N307 WeakPolarHBondContact O-CB 3.48Å; E304-N307 PolarHBondContact O-N 3Å; E304-E308 WeakPolarHBondContact O-CB 3.43Å; E304-E308 WeakPolarHBondContact O-CG 3.43Å; E304-E308 PolarHBondContact O-N 2.84Å |
| 305 | L | 94.6 | Very high | 92.6 | Very high | 80 Ų | 80 | 91.5 Ų | 91.5 | 42% | 0.419 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61 | -35.4 | 179.6 | -75.8 | 167.8 | 0 | 0 | 0 | 113 | R301 L309 | R301-L305 HydrophobicContact CG-CD1 4.14Å; R301-L305 VanDerWaalsContact NH2-CD2 3.26Å; R301-L305 WeakPolarHBondContact O-CB 3.32Å; R301-L305 VanDerWaalsContact O-CG 3.29Å; R301-L305 WeakPolarHBondContact O-CG 3.42Å; R301-L305 PolarHBondContact O-N 3.03Å; L305-L309 VanDerWaalsContact O-CB 3.32Å; L305-L309 WeakPolarHBondContact O-CB 3.27Å; L305-L309 PolarHBondContact O-N 2.92Å |
| 306 | K | 91.6 | Very high | 91.6 | Very high | 152 Ų | 152 | 92.1 Ų | 92.1 | 66% | 0.661 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67.5 | -39.5 | 172.6 | -81.2 | -174.6 | 171.7 | -166.5 | 0 | 112.4 | L302 A303 E304 L309 S310 | L302-K306 WeakPolarHBondContact O-CB 3.44Å; L302-K306 WeakPolarHBondContact O-CG 3.21Å; L302-K306 PolarHBondContact O-N 3.45Å; L302-K306 VanDerWaalsContact O-N 3.12Å; A303-K306 PolarHBondContact O-N 3.42Å; E304-K306 VanDerWaalsContact C-N 3.29Å; E304-K306 PolarHBondContact O-N 2.99Å; K306-L309 PolarHBondContact O-N 2.89Å; K306-S310 WeakPolarHBondContact O-CB 3.4Å; K306-S310 PolarHBondContact O-N 3.15Å; K306-S310 PolarHBondContact O-OG 3Å |
| 307 | N | 92.7 | Very high | 90.9 | Very high | 89 Ų | 89 | 93.6 Ų | 93.6 | 48% | 0.476 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.2 | -49.3 | 176.1 | -172.6 | 21.8 | 0 | 0 | 0 | 110.8 | A303 E304 L309 S310 Q311 | A303-N307 WeakPolarHBondContact O-CB 3.25Å; A303-N307 PolarHBondContact O-N 2.88Å; E304-N307 CarbonylContact O-C 3.59Å; E304-N307 WeakPolarHBondContact O-CA 3.42Å; E304-N307 WeakPolarHBondContact O-CB 3.48Å; E304-N307 PolarHBondContact O-N 3Å; N307-L309 VanDerWaalsContact C-N 3.31Å; N307-L309 PolarHBondContact O-N 3.38Å; N307-S310 WeakPolarHBondContact CA-OG 3.45Å; N307-S310 PolarHBondContact O-N 2.71Å; N307-S310 VanDerWaalsContact O-N 3.14Å; N307-S310 PolarHBondContact O-OG 3.29Å; N307-Q311 PolarHBondContact ND2-NE2 2.9Å; N307-Q311 WeakPolarHBondContact O-CG 3.45Å; N307-Q311 PolarHBondContact O-N 3.47Å; N307-Q311 PolarHBondContact OD1-NE2 2.96Å |
| 308 | E | 92.8 | Very high | 90 | Very high | 81 Ų | 81 | 91.9 Ų | 91.9 | 38% | 0.379 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -51 | -48.8 | 172.1 | -72.2 | 170.6 | -145.5 | 0 | 0 | 110.8 | R301 E304 Q311 N312 | R301-E308 IonicContact CZ-OE1 3.61Å; R301-E308 IonicContact NH1-OE1 2.69Å; R301-E308 PolarHBondContact NH1-OE1 3.08Å; R301-E308 IonicContact NH2-OE1 2.71Å; R301-E308 PolarHBondContact NH2-OE1 2.72Å; R301-E308 IonicContact NH2-OE2 3.66Å; R301-E308 PolarHBondContact NH2-OE2 3.46Å; E304-E308 WeakPolarHBondContact O-CB 3.43Å; E304-E308 WeakPolarHBondContact O-CG 3.43Å; E304-E308 PolarHBondContact O-N 2.84Å; E308-Q311 PolarHBondContact O-N 3.19Å; E308-N312 PolarHBondContact O-N 3.32Å; E308-N312 PolarHBondContact O-ND2 2.75Å |
| 309 | L | 89.2 | Confident | 89.2 | Confident | 74 Ų | 74 | 92.6 Ų | 92.6 | 39% | 0.387 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | 178 | -171.5 | 63.8 | 0 | 0 | 0 | 112.3 | L305 K306 N307 Q311 N312 M313 I318 | L305-L309 VanDerWaalsContact O-CB 3.32Å; L305-L309 WeakPolarHBondContact O-CB 3.27Å; L305-L309 PolarHBondContact O-N 2.92Å; K306-L309 PolarHBondContact O-N 2.89Å; N307-L309 VanDerWaalsContact C-N 3.31Å; N307-L309 PolarHBondContact O-N 3.38Å; L309-Q311 PolarHBondContact O-N 3.42Å; L309-N312 PolarHBondContact O-N 3.2Å; L309-M313 HydrophobicContact CD1-CG 4.32Å; L309-M313 HydrophobicContact CD1-SD 3.77Å; L309-M313 PolarHBondContact O-N 2.89Å; L309-I318 HydrophobicContact CB-CD1 4.41Å; L309-I318 HydrophobicContact CD2-CD1 4.29Å; L309-I318 HydrophobicContact CD2-CG1 4.14Å; L309-I318 HydrophobicContact CD2-CG2 3.87Å; L309-I318 HydrophobicContact CG-CD1 3.82Å; L309-I318 HydrophobicContact CG-CG1 3.96Å |
| 310 | S | 88.8 | Confident | 88.6 | Confident | 66 Ų | 66 | 96.2 Ų | 96.2 | 46% | 0.462 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.8 | -12.6 | 177.5 | 68.5 | 0 | 0 | 0 | 0 | 115.3 | K306 N307 | K306-S310 WeakPolarHBondContact O-CB 3.4Å; K306-S310 PolarHBondContact O-N 3.15Å; K306-S310 PolarHBondContact O-OG 3Å; N307-S310 WeakPolarHBondContact CA-OG 3.45Å; N307-S310 PolarHBondContact O-N 2.71Å; N307-S310 VanDerWaalsContact O-N 3.14Å; N307-S310 PolarHBondContact O-OG 3.29Å |
| 311 | Q | 88.8 | Confident | 87.9 | Confident | 137 Ų | 137 | 93.9 Ų | 93.9 | 64% | 0.64 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -90.3 | -19.4 | 170.8 | -68.7 | 169.1 | 35.3 | 0 | 0 | 112.5 | N307 E308 L309 | N307-Q311 PolarHBondContact ND2-NE2 2.9Å; N307-Q311 WeakPolarHBondContact O-CG 3.45Å; N307-Q311 PolarHBondContact O-N 3.47Å; N307-Q311 PolarHBondContact OD1-NE2 2.96Å; E308-Q311 PolarHBondContact O-N 3.19Å; L309-Q311 PolarHBondContact O-N 3.42Å |
| 312 | N | 85.2 | Confident | 87.1 | Confident | 138 Ų | 138 | 93.4 Ų | 93.4 | 74% | 0.738 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -103.8 | -19.1 | -178.7 | -74.2 | -85.9 | 0 | 0 | 0 | 113.5 | E308 L309 | E308-N312 PolarHBondContact O-N 3.32Å; E308-N312 PolarHBondContact O-ND2 2.75Å; L309-N312 PolarHBondContact O-N 3.2Å |
| 313 | M | 80.9 | Confident | 86.4 | Confident | 57 Ų | 57 | 96.4 Ų | 96.4 | 28% | 0.281 | 49% | 0.491 | S | S | . | . | S | Bend | trans | -140.6 | 147.7 | -179 | -64.4 | -177.8 | 69.5 | 0 | 0 | 110.9 | L309 E317 I318 V321 | L309-M313 HydrophobicContact CD1-CG 4.32Å; L309-M313 HydrophobicContact CD1-SD 3.77Å; L309-M313 PolarHBondContact O-N 2.89Å; M313-E317 HydrophobicContact CE-CB 4.07Å; M313-E317 HydrophobicContact CE-CG 3.55Å; M313-I318 HydrophobicContact CB-CD1 4.1Å; M313-I318 HydrophobicContact CB-CG1 3.76Å; M313-I318 WeakPolarHBondContact O-CD1 3.48Å; M313-V321 HydrophobicContact CE-CG2 4.3Å |
| 314 | D | 82.1 | Confident | 85.4 | Confident | 97 Ų | 97 | 99.5 Ų | 99.5 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | | | trans | -67.7 | 146.4 | 174.6 | -178.7 | 29.5 | 0 | 0 | 0 | 111.2 | M316 E317 I318 | D314-M316 PolarHBondContact O-N 3.05Å; D314-M316 VanDerWaalsContact O-N 3.15Å; D314-E317 WeakPolarHBondContact O-CA 3.3Å; D314-E317 WeakPolarHBondContact O-CB 3.17Å; D314-E317 PolarHBondContact O-N 3.41Å; D314-I318 PolarHBondContact O-N 2.9Å |
| 315 | A | 76.6 | Confident | 84.2 | Confident | 68 Ų | 68 | 100.6 Ų | 100.6 | 56% | 0.562 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.9 | -33 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E317 D319 | A315-E317 VanDerWaalsContact C-N 3.35Å; A315-D319 PolarHBondContact O-N 3.09Å; A315-D319 VanDerWaalsContact O-N 3.12Å |
| 316 | M | 77.9 | Confident | 82.7 | Confident | 139 Ų | 139 | 102.7 Ų | 102.7 | 69% | 0.685 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -71.1 | -27.8 | 175 | -64.2 | -166.3 | -63.1 | 0 | 0 | 113.4 | D314 R320 | D314-M316 PolarHBondContact O-N 3.05Å; D314-M316 VanDerWaalsContact O-N 3.15Å; M316-R320 WeakPolarHBondContact O-CB 3.39Å; M316-R320 PolarHBondContact O-N 2.71Å |
| 317 | E | 83.7 | Confident | 80.8 | Confident | 98 Ų | 98 | 102.2 Ų | 102.2 | 46% | 0.458 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -80 | -35.7 | 176.2 | -159.2 | 174.4 | -161.3 | 0 | 0 | 110.9 | M313 D314 A315 R320 V321 | M313-E317 HydrophobicContact CE-CB 4.07Å; M313-E317 HydrophobicContact CE-CG 3.55Å; D314-E317 WeakPolarHBondContact O-CA 3.3Å; D314-E317 WeakPolarHBondContact O-CB 3.17Å; D314-E317 PolarHBondContact O-N 3.41Å; A315-E317 VanDerWaalsContact C-N 3.35Å; E317-R320 WeakPolarHBondContact O-CB 3.24Å; E317-R320 PolarHBondContact O-N 2.94Å; E317-V321 WeakPolarHBondContact O-CG2 3.36Å; E317-V321 PolarHBondContact O-N 3.05Å |
| 318 | I | 80.3 | Confident | 79 | Confident | 35 Ų | 35 | 102.5 Ų | 102.5 | 18% | 0.179 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -61.8 | -46.2 | 173 | -63.5 | 172.6 | 0 | 0 | 0 | 111.2 | L309 M313 D314 V321 L322 | L309-I318 HydrophobicContact CB-CD1 4.41Å; L309-I318 HydrophobicContact CD2-CD1 4.29Å; L309-I318 HydrophobicContact CD2-CG1 4.14Å; L309-I318 HydrophobicContact CD2-CG2 3.87Å; L309-I318 HydrophobicContact CG-CD1 3.82Å; L309-I318 HydrophobicContact CG-CG1 3.96Å; M313-I318 HydrophobicContact CB-CD1 4.1Å; M313-I318 HydrophobicContact CB-CG1 3.76Å; M313-I318 WeakPolarHBondContact O-CD1 3.48Å; D314-I318 PolarHBondContact O-N 2.9Å; I318-V321 PolarHBondContact O-N 3.09Å; I318-L322 WeakPolarHBondContact O-CB 3.23Å; I318-L322 PolarHBondContact O-N 2.84Å |
| 319 | D | 81.4 | Confident | 77 | Confident | 90 Ų | 90 | 107.1 Ų | 107.1 | 48% | 0.481 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 175.1 | -178.2 | 76.4 | 0 | 0 | 0 | 111.7 | A315 V321 L322 R323 | A315-D319 PolarHBondContact O-N 3.09Å; A315-D319 VanDerWaalsContact O-N 3.12Å; D319-V321 PolarHBondContact O-N 3.06Å; D319-L322 PolarHBondContact O-N 3.38Å; D319-R323 WeakPolarHBondContact O-CB 3.27Å; D319-R323 VanDerWaalsContact O-CG 3.25Å; D319-R323 WeakPolarHBondContact O-CG 3.36Å; D319-R323 PolarHBondContact O-N 3.01Å; D319-R323 WeakPolarHBondContact OD2-CD 3.28Å |
| 320 | R | 85.9 | Confident | 75.4 | Confident | 154 Ų | 154 | 110.2 Ų | 110.2 | 58% | 0.581 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -55.9 | -50.9 | 176 | -177.4 | -167.6 | -56.7 | -93.9 | -2.5 | 111.9 | M316 E317 Q324 | M316-R320 WeakPolarHBondContact O-CB 3.39Å; M316-R320 PolarHBondContact O-N 2.71Å; E317-R320 WeakPolarHBondContact O-CB 3.24Å; E317-R320 PolarHBondContact O-N 2.94Å; R320-Q324 WeakPolarHBondContact O-CG 3.3Å; R320-Q324 PolarHBondContact O-N 3.1Å; R320-Q324 VanDerWaalsContact O-N 3.09Å |
| 321 | V | 83.4 | Confident | 73.8 | Confident | 63 Ų | 63 | 114 Ų | 114 | 38% | 0.382 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -66.9 | -45.7 | -179.9 | 173 | 0 | 0 | 0 | 0 | 110.8 | M313 E317 I318 D319 R323 Q324 T325 | M313-V321 HydrophobicContact CE-CG2 4.3Å; E317-V321 WeakPolarHBondContact O-CG2 3.36Å; E317-V321 PolarHBondContact O-N 3.05Å; I318-V321 PolarHBondContact O-N 3.09Å; D319-V321 PolarHBondContact O-N 3.06Å; V321-R323 VanDerWaalsContact C-N 3.31Å; V321-R323 PolarHBondContact O-N 2.81Å; V321-Q324 WeakPolarHBondContact O-CB 3.38Å; V321-Q324 PolarHBondContact O-N 2.88Å; V321-T325 PolarHBondContact O-N 3.49Å; V321-T325 PolarHBondContact O-OG1 3.1Å |
| 322 | L | 82.9 | Confident | 72 | Confident | 91 Ų | 91 | 115.3 Ų | 115.3 | 48% | 0.476 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.5 | -40.8 | 179.6 | -173.8 | 66.2 | 0 | 0 | 0 | 111.8 | I318 D319 T325 I326 | I318-L322 WeakPolarHBondContact O-CB 3.23Å; I318-L322 PolarHBondContact O-N 2.84Å; D319-L322 PolarHBondContact O-N 3.38Å; L322-T325 PolarHBondContact O-N 3.28Å; L322-I326 HydrophobicContact CD1-CD1 4Å; L322-I326 HydrophobicContact CG-CD1 3.92Å; L322-I326 WeakPolarHBondContact O-CD1 3.24Å; L322-I326 VanDerWaalsContact O-CG1 3.23Å; L322-I326 WeakPolarHBondContact O-CG1 3.36Å; L322-I326 PolarHBondContact O-N 2.86Å |
| 323 | R | 81.6 | Confident | 70.3 | Confident | 165 Ų | 165 | 112.7 Ų | 112.7 | 62% | 0.623 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.3 | -28 | 175.3 | -69.7 | 179.8 | 70.5 | -90.6 | -5.8 | 113.3 | D319 V321 | D319-R323 WeakPolarHBondContact O-CB 3.27Å; D319-R323 VanDerWaalsContact O-CG 3.25Å; D319-R323 WeakPolarHBondContact O-CG 3.36Å; D319-R323 PolarHBondContact O-N 3.01Å; D319-R323 WeakPolarHBondContact OD2-CD 3.28Å; V321-R323 VanDerWaalsContact C-N 3.31Å; V321-R323 PolarHBondContact O-N 2.81Å |
| 324 | Q | 76.8 | Confident | 69.1 | Low | 125 Ų | 125 | 114.4 Ų | 114.4 | 58% | 0.584 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.4 | -46 | 172.9 | -77.1 | 172.1 | -22.3 | 0 | 0 | 111.2 | R320 V321 I326 Q327 | R320-Q324 WeakPolarHBondContact O-CG 3.3Å; R320-Q324 PolarHBondContact O-N 3.1Å; R320-Q324 VanDerWaalsContact O-N 3.09Å; V321-Q324 WeakPolarHBondContact O-CB 3.38Å; V321-Q324 PolarHBondContact O-N 2.88Å; Q324-I326 PolarHBondContact O-N 2.68Å; Q324-Q327 PolarHBondContact O-N 3.03Å |
| 325 | T | 70.6 | Confident | 67.8 | Low | 113 Ų | 113 | 115.5 Ų | 115.5 | 69% | 0.693 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.9 | -11.4 | 178.7 | -55.1 | 0 | 0 | 0 | 0 | 114.3 | V321 L322 | V321-T325 PolarHBondContact O-N 3.49Å; V321-T325 PolarHBondContact O-OG1 3.1Å; L322-T325 PolarHBondContact O-N 3.28Å |
| 326 | I | 63.2 | Low | 66.5 | Low | 124 Ų | 124 | 118 Ų | 118 | 64% | 0.636 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -2.2 | -178.7 | -69.8 | 171.1 | 0 | 0 | 0 | 112.7 | L322 Q324 | L322-I326 HydrophobicContact CD1-CD1 4Å; L322-I326 HydrophobicContact CG-CD1 3.92Å; L322-I326 WeakPolarHBondContact O-CD1 3.24Å; L322-I326 VanDerWaalsContact O-CG1 3.23Å; L322-I326 WeakPolarHBondContact O-CG1 3.36Å; L322-I326 PolarHBondContact O-N 2.86Å; Q324-I326 PolarHBondContact O-N 2.68Å |
| 327 | Q | 51.8 | Low | 65.4 | Low | 143 Ų | 143 | 116.9 Ų | 116.9 | 67% | 0.668 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -69 | 142.7 | 172.1 | -67.6 | -151.1 | 121.3 | 0 | 0 | 111.9 | Q324 | Q324-Q327 PolarHBondContact O-N 3.03Š|
| 328 | P | 55 | Low | 63.6 | Low | 95 Ų | 95 | 116.8 Ų | 116.8 | 62% | 0.617 | 64% | 0.641 | S | S | * | * | | | trans | -75.1 | 131 | 170.8 | 30.8 | -32.7 | 0 | 0 | 0 | 110.8 | D330 | P328-D330 PolarHBondContact O-N 3.3Š|
| 329 | E | 50.8 | Low | 62.3 | Low | 177 Ų | 177 | 121 Ų | 121 | 83% | 0.827 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -77.4 | 27.6 | -179.4 | -64.2 | -80.4 | 121.5 | 0 | 0 | 113.3 | | |
| 330 | D | 54.7 | Low | 60.8 | Low | 139 Ų | 139 | 125.4 Ų | 125.4 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -77.8 | -21.6 | -171.4 | -76 | -54.3 | 0 | 0 | 0 | 114 | P328 | P328-D330 PolarHBondContact O-N 3.3Š|
| 331 | D | 56.7 | Low | 58.8 | Low | 146 Ų | 146 | 121.6 Ų | 121.6 | 78% | 0.781 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -98 | 2.7 | -166.6 | -107.6 | -18.1 | 0 | 0 | 0 | 115.4 | | |
| 332 | Q | 50.5 | Low | 57 | Low | 164 Ų | 164 | 127.6 Ų | 127.6 | 77% | 0.766 | 72% | 0.724 | S | S | * | * | | | trans | -119.4 | 6 | -177.4 | -69.7 | -63.3 | -80.6 | 0 | 0 | 115.5 | S334 | Q332-S334 PolarHBondContact O-N 3.3Š|
| 333 | A | 50 | Low | 55.2 | Low | 84 Ų | 84 | 130.8 Ų | 130.8 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | | | trans | -74.5 | 44.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T335 | A333-T335 PolarHBondContact O-N 3.08Š|
| 334 | S | 55.5 | Low | 53.5 | Low | 92 Ų | 92 | 129.4 Ų | 129.4 | 64% | 0.643 | 75% | 0.746 | S | S | * | * | | | trans | -63.8 | 104 | 172.6 | -79.1 | 0 | 0 | 0 | 0 | 109.4 | Q332 S336 | Q332-S334 PolarHBondContact O-N 3.3Å; S334-S336 PolarHBondContact O-N 2.96Å |
| 335 | T | 54.1 | Low | 51.7 | Low | 120 Ų | 120 | 132.8 Ų | 132.8 | 74% | 0.736 | 76% | 0.759 | S | S | * | * | | | trans | -76 | 67 | -176.5 | 58 | 0 | 0 | 0 | 0 | 112 | A333 T337 | A333-T335 PolarHBondContact O-N 3.08Å; T335-T337 PolarHBondContact O-N 3.39Å |
| 336 | S | 48.9 | Very low | 50.5 | Low | 121 Ų | 121 | 133.5 Ų | 133.5 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | | | trans | -74.1 | 66.2 | 165.1 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | S334 A338 | S334-S336 PolarHBondContact O-N 2.96Å; S336-A338 PolarHBondContact O-N 3.13Å |
| 337 | T | 55.3 | Low | 49.5 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | | | trans | -70.2 | 124.4 | 172.1 | 49.6 | 0 | 0 | 0 | 0 | 110.3 | T335 | T335-T337 PolarHBondContact O-N 3.39Š|
| 338 | A | 47 | Very low | 49.3 | Very low | 96 Ų | 96 | 137 Ų | 137 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | | | trans | 37 | 97.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | S336 | S336-A338 PolarHBondContact O-N 3.13Š|
| 339 | S | 51.3 | Low | 48.9 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | | | trans | -84.2 | 133.3 | 140 | -174.3 | 0 | 0 | 0 | 0 | 107.6 | | |
| 340 | E | 50 | Low | 48.5 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | | | trans | -65.2 | 163.2 | 168.6 | -71.4 | 169.9 | 104.3 | 0 | 0 | 111 | | |
| 341 | G | 43.7 | Very low | 47.9 | Very low | 74 Ų | 74 | 140.7 Ų | 140.7 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | | | trans | -169.3 | 64.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 342 | E | 45.7 | Very low | 46.8 | Very low | 189 Ų | 189 | 140.6 Ų | 140.6 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -144.8 | 61 | 174.8 | 59.3 | 177.5 | 91.9 | 0 | 0 | 114.7 | | |
| 343 | D | 45.7 | Very low | 46.1 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -129.1 | 96.4 | 159.9 | 59.3 | -48.7 | 0 | 0 | 0 | 112.6 | | |
| 344 | N | 46.2 | Very low | 45.5 | Very low | 137 Ų | 137 | 138.2 Ų | 138.2 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | | | trans | -82.3 | 120.6 | 167.4 | 163.9 | 111.4 | 0 | 0 | 0 | 109.3 | | |
| 345 | F | 39.8 | Very low | 44.5 | Very low | 195 Ų | 195 | 138.2 Ų | 138.2 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | | | trans | -157.2 | 156.8 | 150.4 | -96.1 | -61.5 | 0 | 0 | 0 | 113.2 | | |
| 346 | D | 44.1 | Very low | 43.6 | Very low | 128 Ų | 128 | 143.7 Ų | 143.7 | 68% | 0.684 | 80% | 0.804 | S | S | * | * | | | trans | -70.2 | 142.4 | -168.4 | -48.9 | -120.5 | 0 | 0 | 0 | 115.1 | | |
| 347 | Q | 43 | Very low | 43.3 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | | | trans | -156.2 | 131.6 | 138.4 | -145.3 | 101.3 | 130.1 | 0 | 0 | 112 | | |
| 348 | D | 47.1 | Very low | 42.3 | Very low | 154 Ų | 154 | 142.2 Ų | 142.2 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | | | trans | -58 | 138.3 | 158.8 | -75.8 | -143 | 0 | 0 | 0 | 110.9 | | |
| 349 | V | 47.3 | Very low | 42.2 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | | | | -147 | 148.8 | 127.1 | -74.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 350 | D | 41 | Very low | 41.4 | Very low | 155 Ų | 155 | 142.1 Ų | 142.1 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | | | trans | -80.8 | 148.8 | 165.1 | -170 | -93.6 | 0 | 0 | 0 | 109.8 | | |
| 351 | E | 42.3 | Very low | 40.6 | Very low | 188 Ų | 188 | 138.1 Ų | 138.1 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | -174.8 | 153.6 | 131.5 | -163.3 | 159.9 | 105.5 | 0 | 0 | 112.1 | | |
| 352 | D | 33.8 | Very low | 40.2 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | | | trans | -52.3 | 168.4 | -168.4 | -164.5 | 31.3 | 0 | 0 | 0 | 121.3 | | |
| 353 | A | 37 | Very low | 39.6 | Very low | 64 Ų | 64 | 140.2 Ų | 140.2 | 53% | 0.529 | 78% | 0.782 | S | S | . | * | | | trans | 13.6 | 147.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | | |
| 354 | T | 35.8 | Very low | 39 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | cis | -166.2 | 162.2 | 42.8 | -35.5 | 0 | 0 | 0 | 0 | 113.3 | | |
| 355 | A | 36.1 | Very low | 38.7 | Very low | 91 Ų | 91 | 141.3 Ų | 141.3 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | | | trans | 71.4 | 82 | 152 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 356 | R | 34.4 | Very low | 38.3 | Very low | 236 Ų | 236 | 135.9 Ų | 135.9 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | | | trans | -55.5 | 162.4 | 136.8 | -117 | -179.9 | 159.9 | -179.6 | -5.6 | 110.4 | | |
| 357 | P | 42.5 | Very low | 37.9 | Very low | 124 Ų | 124 | 138.1 Ų | 138.1 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | | | | -143.9 | 160.7 | 50.3 | 38.8 | -19.2 | 0 | 0 | 0 | 118.2 | | |
| 358 | A | 35.1 | Very low | 37.4 | Very low | 82 Ų | 82 | 134.9 Ų | 134.9 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | | | trans | -105.5 | 148.2 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 359 | P | 44.8 | Very low | 36.8 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | | | | -149.8 | 170.6 | 106.4 | 38.9 | -23.6 | 0 | 0 | 0 | 114.9 | | |
| 360 | A | 34.5 | Very low | 36.2 | Very low | 91 Ų | 91 | 136.7 Ų | 136.7 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | | | cis | -169.4 | 145.8 | -31 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 361 | S | 33.3 | Very low | 35.9 | Very low | 100 Ų | 100 | 136.3 Ų | 136.3 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | trans | 32.4 | 123.8 | 142.4 | -165.5 | 0 | 0 | 0 | 0 | 122.1 | | |
| 362 | L | 34.2 | Very low | 35.3 | Very low | 147 Ų | 147 | 132 Ų | 132 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | | | | -162.8 | 116.9 | 114.5 | -130 | 79.9 | 0 | 0 | 0 | 115.7 | | |
| 363 | Q | 33.8 | Very low | 35.3 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | | | trans | 40.1 | 111 | 137.5 | -60.7 | 176.8 | 2.4 | 0 | 0 | 123.7 | | |
| 364 | K | 33.8 | Very low | 35.3 | Very low | 189 Ų | 189 | 134.8 Ų | 134.8 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | | 50.7 | 126 | 107.3 | -164.5 | 159.3 | -176.6 | 175.1 | 0 | 118.5 | | |
| 365 | P | 39.7 | Very low | 35.2 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | | | | -135.4 | 152.4 | 79 | 38.2 | -25.2 | 0 | 0 | 0 | 116.9 | | |
| 366 | A | 31 | Very low | 35.2 | Very low | 81 Ų | 81 | 139.6 Ų | 139.6 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | | | trans | -105.4 | 145.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 367 | L | 34.9 | Very low | 35.1 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -102.6 | 145.9 | 173 | -74.3 | 174.4 | 0 | 0 | 0 | 111.2 | | |
| 368 | S | 32.6 | Very low | 35.4 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -86 | 123.3 | -165.9 | -48.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 369 | I | 35.1 | Very low | 35.1 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 124.9 | 156.8 | -66.2 | 177.2 | 0 | 0 | 0 | 107.4 | | |
| 370 | L | 34.9 | Very low | 34.6 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -84.6 | 121.8 | -171.6 | -146.3 | 163.6 | 0 | 0 | 0 | 110.7 | | |
| 371 | Q | 33.9 | Very low | 34.4 | Very low | 147 Ų | 147 | 136.2 Ų | 136.2 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 136.8 | -177.5 | 178.4 | -177 | 5 | 0 | 0 | 113 | Q373 | Q371-Q373 HydrophobicContact CG-CG 4.25Å; Q371-Q373 VanDerWaalsContact NE2-NE2 3.19Å |
| 372 | A | 29.8 | Very low | 34.5 | Very low | 98 Ų | 98 | 138 Ų | 138 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | -125.5 | 130.9 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 373 | Q | 35 | Very low | 34.2 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -95 | 145.6 | -172.2 | -66.8 | -168.4 | 12.6 | 0 | 0 | 113.3 | Q371 | Q371-Q373 HydrophobicContact CG-CG 4.25Å; Q371-Q373 VanDerWaalsContact NE2-NE2 3.19Å |
| 374 | P | 36.9 | Very low | 34 | Very low | 118 Ų | 118 | 139.8 Ų | 139.8 | 77% | 0.766 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 126.9 | 156.8 | 32.6 | -30.1 | 0 | 0 | 0 | 110.2 | | |
| 375 | L | 33.6 | Very low | 33.9 | Very low | 168 Ų | 168 | 134.8 Ų | 134.8 | 88% | 0.88 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 132.2 | 174.5 | -164.6 | 78.3 | 0 | 0 | 0 | 110.5 | | |
| 376 | L | 34.4 | Very low | 33.3 | Very low | 159 Ų | 159 | 133.3 Ų | 133.3 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 125.7 | 178.1 | -65.5 | 172.6 | 0 | 0 | 0 | 110.3 | | |
| 377 | A | 32.7 | Very low | 33.6 | Very low | 85 Ų | 85 | 136.6 Ų | 136.6 | 70% | 0.702 | 78% | 0.775 | S | S | * | * | | | | 80.6 | 169 | 88.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 378 | P | 49.2 | Very low | 33.8 | Very low | 121 Ų | 121 | 134.5 Ų | 134.5 | 79% | 0.786 | 77% | 0.772 | S | S | * | * | | | cis | -125.8 | -170.3 | -9.3 | 42.4 | -27.6 | 0 | 0 | 0 | 113 | | |
| 379 | H | 29.4 | Very low | 34 | Very low | 157 Ų | 157 | 136 Ų | 136 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | | | | 165.9 | 125.2 | 117.3 | -161 | -137.7 | 0 | 0 | 0 | 113.6 | | |
| 380 | L | 34.3 | Very low | 33.9 | Very low | 139 Ų | 139 | 133.5 Ų | 133.5 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | | | trans | 61.2 | 151 | 164.8 | -62.3 | 176.4 | 0 | 0 | 0 | 120.2 | | |
| 381 | S | 30.4 | Very low | 33.7 | Very low | 83 Ų | 83 | 129.2 Ų | 129.2 | 58% | 0.58 | 76% | 0.763 | S | S | * | * | | | cis | -171.4 | 151.8 | -32.8 | -141.5 | 0 | 0 | 0 | 0 | 111.3 | | |
| 382 | I | 34.6 | Very low | 33.4 | Very low | 139 Ų | 139 | 128.7 Ų | 128.7 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | | | trans | 43.2 | 127.9 | 136 | -70 | 175.6 | 0 | 0 | 0 | 118.5 | | |
| 383 | Q | 29 | Very low | 33.5 | Very low | 151 Ų | 151 | 132.2 Ų | 132.2 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | cis | -167.2 | 170.8 | 3.6 | -115.8 | -175.5 | 129.4 | 0 | 0 | 109 | | |
| 384 | H | 29.9 | Very low | 33.5 | Very low | 194 Ų | 194 | 129.9 Ų | 129.9 | 90% | 0.898 | 78% | 0.78 | S | S | * | * | | | | -174.8 | 123.8 | 123.1 | -97.6 | -63.6 | 0 | 0 | 0 | 112.7 | | |
| 385 | A | 30.4 | Very low | 33.3 | Very low | 83 Ų | 83 | 128.7 Ų | 128.7 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | | | trans | -98.6 | 164.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 386 | A | 27.5 | Very low | 33.8 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | cis | -157.9 | -179.3 | -6.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 387 | L | 37.6 | Very low | 34.6 | Very low | 149 Ų | 149 | 124.3 Ų | 124.3 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | trans | -66.3 | 168.7 | 174.7 | -66 | 163.7 | 0 | 0 | 0 | 113.3 | | |
| 388 | P | 39.3 | Very low | 35.3 | Very low | 132 Ų | 132 | 126.5 Ų | 126.5 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | | | | -130 | 177.6 | 99.5 | 38.5 | -31.9 | 0 | 0 | 0 | 114.8 | | |
| 389 | L | 36.1 | Very low | 34.8 | Very low | 148 Ų | 148 | 125.5 Ų | 125.5 | 78% | 0.775 | 78% | 0.781 | S | S | * | * | | | trans | -123.3 | 170.6 | -163.2 | -156.4 | 76.2 | 0 | 0 | 0 | 112.8 | | |
| 390 | S | 32.7 | Very low | 35.7 | Very low | 121 Ų | 121 | 121 Ų | 121 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | 83 | 134 | 179.7 | -35.4 | 0 | 0 | 0 | 0 | 114.2 | | |
| 391 | G | 30.5 | Very low | 36.7 | Very low | 75 Ų | 75 | 120.5 Ų | 120.5 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | | | cis | -177.1 | -163.2 | -0.6 | 0 | 0 | 0 | 0 | 0 | 109 | | |
| 392 | V | 28.6 | Very low | 37.9 | Very low | 137 Ų | 137 | 122 Ų | 122 | 83% | 0.83 | 79% | 0.79 | S | S | * | * | | | cis | -165.7 | 175 | -4.9 | 73.3 | 0 | 0 | 0 | 0 | 108.9 | | |
| 393 | L | 31.3 | Very low | 38.7 | Very low | 171 Ų | 171 | 120.9 Ų | 120.9 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | | | trans | 71.7 | 159.5 | 172.8 | -85.5 | 167.8 | 0 | 0 | 0 | 118.2 | | |
| 394 | A | 35.5 | Very low | 39.8 | Very low | 100 Ų | 100 | 119.9 Ų | 119.9 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -125.7 | 158.8 | -165.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 395 | A | 33.2 | Very low | 40.3 | Very low | 93 Ų | 93 | 119.5 Ų | 119.5 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | | | trans | -146.1 | 141.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 396 | P | 44.2 | Very low | 40.7 | Very low | 116 Ų | 116 | 120.6 Ų | 120.6 | 75% | 0.753 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 160.6 | -178.6 | 33.8 | -35.9 | 0 | 0 | 0 | 113.1 | | |
| 397 | P | 50.9 | Low | 41.2 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.6 | 150.1 | 175.8 | 29.9 | -35.5 | 0 | 0 | 0 | 112.4 | | |
| 398 | P | 46.3 | Very low | 41.3 | Very low | 130 Ų | 130 | 120.8 Ų | 120.8 | 84% | 0.844 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.3 | 136.6 | -178.8 | 29.5 | -34.8 | 0 | 0 | 0 | 112.4 | | |
| 399 | A | 39.5 | Very low | 41.6 | Very low | 101 Ų | 101 | 120.7 Ų | 120.7 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 147.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 400 | G | 48.1 | Very low | 41.7 | Very low | 62 Ų | 62 | 118 Ų | 118 | 64% | 0.639 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 161.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 401 | P | 54.3 | Low | 42.3 | Very low | 128 Ų | 128 | 118 Ų | 118 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 145.5 | -179.4 | 28.9 | -34.9 | 0 | 0 | 0 | 112.6 | | |
| 402 | P | 56.9 | Low | 43.5 | Very low | 115 Ų | 115 | 120 Ų | 120 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -78 | 160.3 | -177.6 | 32.5 | -36.6 | 0 | 0 | 0 | 113.4 | | |
| 403 | P | 50.8 | Low | 44.5 | Very low | 115 Ų | 115 | 119.7 Ų | 119.7 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 148.1 | 175.4 | 31 | -35.6 | 0 | 0 | 0 | 112.4 | | |
| 404 | P | 52.3 | Low | 44.9 | Very low | 130 Ų | 130 | 114.8 Ų | 114.8 | 84% | 0.844 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 137 | 173.5 | 30 | -34 | 0 | 0 | 0 | 111.5 | | |
| 405 | Q | 41 | Very low | 45.8 | Very low | 186 Ų | 186 | 116.1 Ų | 116.1 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 154.5 | 178.1 | -68 | -178.6 | -27.5 | 0 | 0 | 112.4 | | |
| 406 | A | 37.2 | Very low | 46.7 | Very low | 106 Ų | 106 | 117.1 Ų | 117.1 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75 | 138.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 407 | I | 39.7 | Very low | 46.6 | Very low | 164 Ų | 164 | 117.6 Ų | 117.6 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | | | trans | -124.9 | 137.1 | 173.2 | -68.6 | 177.5 | 0 | 0 | 0 | 108.5 | | |
| 408 | A | 38.8 | Very low | 46.2 | Very low | 86 Ų | 86 | 119.9 Ų | 119.9 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 151.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 409 | P | 45.2 | Very low | 45.9 | Very low | 130 Ų | 130 | 118.7 Ų | 118.7 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 135.2 | 176.4 | 31 | -34.3 | 0 | 0 | 0 | 112.5 | | |
| 410 | A | 38.4 | Very low | 45.4 | Very low | 92 Ų | 92 | 120.5 Ų | 120.5 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 162.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 411 | P | 45.9 | Very low | 44.6 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -79 | 156.3 | -162.8 | 31.3 | -36.4 | 0 | 0 | 0 | 114.8 | | |
| 412 | P | 55.9 | Low | 43.7 | Very low | 119 Ų | 119 | 125.5 Ų | 125.5 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 144.2 | 176.9 | 31.7 | -35.2 | 0 | 0 | 0 | 112.7 | | |
| 413 | P | 49.2 | Very low | 42.8 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 84% | 0.844 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 145.1 | 169.7 | 30.9 | -34.1 | 0 | 0 | 0 | 111.8 | | |
| 414 | G | 40.3 | Very low | 41.9 | Very low | 67 Ų | 67 | 124.3 Ų | 124.3 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 167.9 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 415 | P | 53.4 | Low | 41 | Very low | 128 Ų | 128 | 124.2 Ų | 124.2 | 83% | 0.831 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -92.9 | 135.6 | -174.1 | 34.7 | -33.9 | 0 | 0 | 0 | 115 | | |
| 416 | P | 53.1 | Low | 40.5 | Very low | 115 Ų | 115 | 123.3 Ų | 123.3 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 169 | 160.6 | 35.2 | -30.2 | 0 | 0 | 0 | 111.5 | | |
| 417 | P | 41.4 | Very low | 40.3 | Very low | 126 Ų | 126 | 123.8 Ų | 123.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | | -108.7 | 172.7 | -122.5 | 6.3 | 15.5 | 0 | 0 | 0 | 117.5 | | |
| 418 | L | 42.8 | Very low | 39.7 | Very low | 167 Ų | 167 | 123.8 Ų | 123.8 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | -61.6 | 161.2 | 164.8 | -63.9 | 170.4 | 0 | 0 | 0 | 112.2 | | |
| 419 | P | 39.3 | Very low | 40.2 | Very low | 106 Ų | 106 | 124.2 Ų | 124.2 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | | | | -141.8 | 141 | 109.3 | 34.8 | -21.6 | 0 | 0 | 0 | 115.6 | | |
| 420 | L | 28.6 | Very low | 39.6 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 72% | 0.723 | 76% | 0.757 | S | S | * | * | | | trans | 59.6 | 136.7 | 143.1 | -78.9 | 49.4 | 0 | 0 | 0 | 118.9 | | |
| 421 | H | 31.4 | Very low | 39.3 | Very low | 170 Ų | 170 | 124.7 Ų | 124.7 | 79% | 0.787 | 76% | 0.756 | S | S | * | * | | | cis | -147 | 162.4 | 5.8 | -90.9 | 121.7 | 0 | 0 | 0 | 110.7 | | |
| 422 | T | 35.4 | Very low | 38.5 | Very low | 126 Ų | 126 | 126 Ų | 126 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | -111.2 | 166.5 | 160.6 | 67.7 | 0 | 0 | 0 | 0 | 109 | | |
| 423 | P | 39.2 | Very low | 37.2 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 76% | 0.76 | 75% | 0.745 | S | S | * | * | | | | -131 | 172 | 64.7 | 24.3 | -0.2 | 0 | 0 | 0 | 112.6 | | |
| 424 | A | 31.2 | Very low | 36.4 | Very low | 87 Ų | 87 | 126 Ų | 126 | 72% | 0.719 | 75% | 0.745 | S | S | * | * | | | cis | 77 | 145.6 | 31.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 425 | V | 32.8 | Very low | 35.8 | Very low | 128 Ų | 128 | 127.2 Ų | 127.2 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | cis | -166.5 | -171.2 | -8.8 | 116.3 | 0 | 0 | 0 | 0 | 108.1 | | |
| 426 | Q | 30.8 | Very low | 34.8 | Very low | 167 Ų | 167 | 126 Ų | 126 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | | | trans | 86.7 | 122.9 | 162.8 | -124.5 | 164.6 | -68.7 | 0 | 0 | 116.2 | | |
| 427 | V | 33.3 | Very low | 33.8 | Very low | 117 Ų | 117 | 126.5 Ų | 126.5 | 71% | 0.709 | 75% | 0.749 | S | S | * | * | | | cis | 90.4 | 140.8 | 12.1 | -161.1 | 0 | 0 | 0 | 0 | 116.3 | | |
| 428 | Q | 26.4 | Very low | 33.3 | Very low | 164 Ų | 164 | 126 Ų | 126 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | | | trans | 100.6 | 158.9 | 159.9 | -67.7 | -49.9 | 7.8 | 0 | 0 | 120.5 | | |
| 429 | P | 49.3 | Very low | 32.7 | Very low | 95 Ų | 95 | 126 Ų | 126 | 62% | 0.617 | 74% | 0.744 | S | S | * | * | | | cis | -147.7 | -177.1 | -27.6 | 38.5 | -19.2 | 0 | 0 | 0 | 117.8 | | |
| 430 | T | 34.1 | Very low | 33.1 | Very low | 111 Ų | 111 | 126.2 Ų | 126.2 | 68% | 0.681 | 75% | 0.745 | S | S | * | * | | | trans | 73 | 143 | 153.9 | -30.8 | 0 | 0 | 0 | 0 | 115.8 | I432 | T430-I432 HydrophobicContact CG2-CD1 4.05Å; T430-I432 HydrophobicContact CG2-CG1 4.44Å |
| 431 | V | 31.2 | Very low | 33.4 | Very low | 121 Ų | 121 | 124.6 Ų | 124.6 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | | | cis | -150.4 | 125.7 | 46.9 | 176.1 | 0 | 0 | 0 | 0 | 108.3 | | |
| 432 | I | 30.5 | Very low | 33.5 | Very low | 146 Ų | 146 | 122.1 Ų | 122.1 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | | | | 49.2 | 127.6 | 100.3 | -49.2 | 159.7 | 0 | 0 | 0 | 112.3 | T430 | T430-I432 HydrophobicContact CG2-CD1 4.05Å; T430-I432 HydrophobicContact CG2-CG1 4.44Å |
| 433 | A | 27.6 | Very low | 33.4 | Very low | 69 Ų | 69 | 122.8 Ų | 122.8 | 57% | 0.57 | 74% | 0.74 | S | S | * | * | | | cis | -158.2 | -169.8 | 23.9 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 434 | H | 31.7 | Very low | 32.9 | Very low | 182 Ų | 182 | 126.2 Ų | 126.2 | 84% | 0.843 | 75% | 0.745 | S | S | * | * | | | trans | 4.6 | 156.8 | 149.6 | -43.6 | -53.1 | 0 | 0 | 0 | 121.3 | | |
| 435 | A | 27.8 | Very low | 33 | Very low | 91 Ų | 91 | 126.4 Ų | 126.4 | 75% | 0.752 | 74% | 0.741 | S | S | * | * | | | cis | 177.1 | -168 | -17.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | | |
| 436 | A | 32 | Very low | 32.9 | Very low | 102 Ų | 102 | 126.5 Ų | 126.5 | 84% | 0.843 | 74% | 0.741 | S | S | * | * | | | trans | 78.4 | 118.6 | 159.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 437 | V | 34.1 | Very low | 32.7 | Very low | 127 Ų | 127 | 122.4 Ų | 122.4 | 77% | 0.77 | 73% | 0.731 | S | S | * | * | | | trans | -66.1 | 150.3 | 161.8 | 168.1 | 0 | 0 | 0 | 0 | 111.2 | | |
| 438 | S | 30.2 | Very low | 32.5 | Very low | 116 Ų | 116 | 124.8 Ų | 124.8 | 81% | 0.811 | 73% | 0.734 | S | S | * | * | | | trans | -152.2 | 134 | 150 | -156.7 | 0 | 0 | 0 | 0 | 114.1 | | |
| 439 | H | 30.7 | Very low | 32.7 | Very low | 165 Ų | 165 | 123.6 Ų | 123.6 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | | | trans | -126.1 | 178.2 | 161.8 | -64.7 | -90.4 | 0 | 0 | 0 | 105.8 | | |
| 440 | P | 47.8 | Very low | 32 | Very low | 112 Ų | 112 | 126.9 Ų | 126.9 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | cis | -131.9 | -159.4 | -24 | 24 | 1.3 | 0 | 0 | 0 | 111.7 | | |
| 441 | S | 34.4 | Very low | 32.3 | Very low | 103 Ų | 103 | 127.4 Ų | 127.4 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | | | trans | 98.7 | 129.8 | 133.1 | -76.6 | 0 | 0 | 0 | 0 | 124.1 | | |
| 442 | V | 32.3 | Very low | 32.2 | Very low | 119 Ų | 119 | 126.1 Ų | 126.1 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | | | trans | 78.8 | 99 | 136.1 | 177 | 0 | 0 | 0 | 0 | 120.9 | | |
| 443 | I | 33.8 | Very low | 32 | Very low | 140 Ų | 140 | 125.6 Ų | 125.6 | 72% | 0.718 | 76% | 0.756 | S | S | * | * | | | | 20.3 | 129.9 | 123.8 | -49.5 | 171.5 | 0 | 0 | 0 | 118.3 | | |
| 444 | H | 29.9 | Very low | 32.3 | Very low | 188 Ų | 188 | 129.4 Ų | 129.4 | 87% | 0.87 | 76% | 0.762 | S | S | * | * | | | trans | -147.1 | 170.8 | 135.8 | -104.7 | 86.1 | 0 | 0 | 0 | 110.3 | | |
| 445 | S | 32.8 | Very low | 32.5 | Very low | 91 Ų | 91 | 128 Ų | 128 | 64% | 0.636 | 75% | 0.753 | S | S | * | * | | | trans | -150.6 | 179.7 | -154.8 | 59.8 | 0 | 0 | 0 | 0 | 114.9 | | |
| 446 | V | 29.6 | Very low | 32.9 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 79% | 0.788 | 76% | 0.755 | S | S | * | * | | | trans | 86.6 | 139.5 | 154.2 | 165.5 | 0 | 0 | 0 | 0 | 119.9 | | |
| 447 | S | 26.9 | Very low | 33 | Very low | 81 Ų | 81 | 134 Ų | 134 | 57% | 0.566 | 75% | 0.752 | S | S | * | * | | | trans | 88.7 | 95.1 | 157 | -70.9 | 0 | 0 | 0 | 0 | 124.4 | | |
| 448 | H | 29.6 | Very low | 33 | Very low | 167 Ų | 167 | 131.4 Ų | 131.4 | 77% | 0.773 | 74% | 0.744 | S | S | * | * | | | | 87.3 | 136.8 | 111.7 | -60.8 | -33.4 | 0 | 0 | 0 | 125.1 | | |
| 449 | T | 29.6 | Very low | 33.2 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 85% | 0.853 | 74% | 0.744 | S | S | * | * | | | trans | 73.4 | 120.2 | 142.7 | 45.4 | 0 | 0 | 0 | 0 | 123.5 | | |
| 450 | L | 35.4 | Very low | 33.4 | Very low | 164 Ų | 164 | 133.7 Ų | 133.7 | 86% | 0.859 | 75% | 0.745 | S | S | * | * | | | trans | -59.5 | 163.3 | 155.1 | -65.1 | 170.6 | 0 | 0 | 0 | 111.4 | | |
| 451 | P | 41 | Very low | 32.7 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | | | | -158.4 | -167.3 | 54.1 | 44.9 | -22 | 0 | 0 | 0 | 119.4 | | |
| 452 | A | 29.1 | Very low | 33.1 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 78% | 0.777 | 75% | 0.749 | S | S | * | * | | | trans | 73.8 | 131.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | | |
| 453 | N | 26.2 | Very low | 33 | Very low | 136 Ų | 136 | 133.1 Ų | 133.1 | 73% | 0.727 | 75% | 0.751 | S | S | * | * | | | cis | 105.4 | 121.9 | 18.4 | -178 | -63.2 | 0 | 0 | 0 | 113.7 | | |
| 454 | H | 34.2 | Very low | 33.7 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | | | trans | 172.1 | 145.2 | 146.8 | -88 | -0.9 | 0 | 0 | 0 | 108.9 | | |
| 455 | K | 35.3 | Very low | 33.6 | Very low | 152 Ų | 152 | 126.9 Ų | 126.9 | 66% | 0.661 | 75% | 0.749 | S | S | * | * | | | cis | -160.4 | 139.7 | -5.9 | -99.1 | 156.6 | 179.1 | 163.8 | 0 | 108.8 | | |
| 456 | H | 35 | Very low | 34.6 | Very low | 172 Ų | 172 | 128.9 Ų | 128.9 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | | | trans | 41.6 | 156 | 147 | -62.4 | -103.6 | 0 | 0 | 0 | 121.4 | | |
| 457 | L | 34.2 | Very low | 34.6 | Very low | 148 Ų | 148 | 127.6 Ų | 127.6 | 78% | 0.775 | 76% | 0.763 | S | S | * | * | | | cis | -161.8 | 157.1 | 28.7 | -166.8 | 69.9 | 0 | 0 | 0 | 112.7 | | |
| 458 | A | 34.8 | Very low | 34.7 | Very low | 72 Ų | 72 | 128.6 Ų | 128.6 | 60% | 0.595 | 77% | 0.77 | S | S | * | * | | | trans | 66.5 | 120 | 158.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 459 | H | 35.5 | Very low | 34.7 | Very low | 177 Ų | 177 | 125.8 Ų | 125.8 | 82% | 0.819 | 77% | 0.769 | S | S | * | * | | | | 86.7 | 132.3 | 56.4 | -65.6 | -31.3 | 0 | 0 | 0 | 112.3 | | |
| 460 | I | 35 | Very low | 35.1 | Very low | 153 Ų | 153 | 125.8 Ų | 125.8 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | cis | -146.8 | 132.4 | 5 | -42.1 | 171.4 | 0 | 0 | 0 | 105.1 | | |
| 461 | A | 31.2 | Very low | 35.2 | Very low | 88 Ų | 88 | 123.8 Ų | 123.8 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | | | | 57.3 | 154 | 66.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 462 | P | 42.8 | Very low | 34.9 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | | | cis | -130.3 | -176.3 | -4.3 | 42 | -24.8 | 0 | 0 | 0 | 116.4 | | |
| 463 | S | 31.3 | Very low | 35.9 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | | | trans | -69.9 | -171.6 | 164.5 | -139.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 464 | P | 48.1 | Very low | 36 | Very low | 125 Ų | 125 | 128.9 Ų | 128.9 | 81% | 0.812 | 77% | 0.77 | S | S | * | * | | | cis | -144.8 | -173.2 | 7 | 44.8 | -25.5 | 0 | 0 | 0 | 117.5 | | |
| 465 | G | 28.5 | Very low | 35.8 | Very low | 71 Ų | 71 | 126.5 Ų | 126.5 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | | | trans | 134.2 | 137.9 | 137.5 | 0 | 0 | 0 | 0 | 0 | 117.7 | | |
| 466 | P | 54.4 | Low | 35.5 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 87% | 0.87 | 79% | 0.785 | S | S | * | * | | | trans | -117.1 | 162.7 | -179.4 | 41.2 | -32 | 0 | 0 | 0 | 114.6 | | |
| 467 | A | 28.2 | Very low | 35.4 | Very low | 102 Ų | 102 | 120.4 Ų | 120.4 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | | | trans | -170.3 | 152.4 | 140.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 468 | S | 29.1 | Very low | 35.2 | Very low | 103 Ų | 103 | 118.4 Ų | 118.4 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | | | trans | -66.5 | 156.5 | 166.1 | 165.9 | 0 | 0 | 0 | 0 | 113.2 | | |
| 469 | S | 30.4 | Very low | 35 | Very low | 108 Ų | 108 | 119.7 Ų | 119.7 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | | 154.8 | 143.9 | 117.7 | -64.7 | 0 | 0 | 0 | 0 | 114.3 | | |
| 470 | T | 37.3 | Very low | 34.8 | Very low | 138 Ų | 138 | 115.7 Ų | 115.7 | 85% | 0.847 | 80% | 0.797 | S | S | * | * | | | trans | -72.7 | 156.9 | 164 | 26.5 | 0 | 0 | 0 | 0 | 111.8 | | |
| 471 | P | 38.7 | Very low | 35.4 | Very low | 123 Ų | 123 | 113.7 Ų | 113.7 | 80% | 0.799 | 79% | 0.794 | S | S | * | * | | | | -146.5 | 164.4 | 117.2 | 39.5 | -25.6 | 0 | 0 | 0 | 115.9 | | |
| 472 | Q | 34.5 | Very low | 35.4 | Very low | 185 Ų | 185 | 115.7 Ų | 115.7 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -93.7 | 176.3 | 157.1 | -87.7 | -158.3 | -24.7 | 0 | 0 | 109.1 | | |
| 473 | P | 48.6 | Very low | 34.9 | Very low | 105 Ų | 105 | 116.9 Ų | 116.9 | 68% | 0.682 | 80% | 0.802 | S | S | * | * | | | cis | -157.1 | -160.1 | 33.8 | 45.3 | -21.2 | 0 | 0 | 0 | 118.5 | | |
| 474 | M | 29.1 | Very low | 34.9 | Very low | 168 Ų | 168 | 115.8 Ų | 115.8 | 83% | 0.828 | 80% | 0.799 | S | S | * | * | | | trans | 80.5 | 98.6 | 149.4 | -76.6 | 174.8 | 68.2 | 0 | 0 | 123.3 | | |
| 475 | A | 30.4 | Very low | 34.2 | Very low | 98 Ų | 98 | 115.7 Ų | 115.7 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | | | | 53.1 | 122.7 | 109.2 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 476 | A | 29.2 | Very low | 34.4 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | | | trans | 170.4 | 169 | 139 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 477 | A | 31.1 | Very low | 33.3 | Very low | 93 Ų | 93 | 121.6 Ų | 121.6 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | cis | -172.8 | 161.8 | -44.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 478 | A | 30.8 | Very low | 33.5 | Very low | 106 Ų | 106 | 123.5 Ų | 123.5 | 88% | 0.876 | 78% | 0.784 | S | S | * | * | | | trans | 66.9 | 157.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 479 | A | 30.5 | Very low | 33.6 | Very low | 100 Ų | 100 | 125.5 Ų | 125.5 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | | | cis | -149.1 | 172.6 | -6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 480 | A | 31.3 | Very low | 33.6 | Very low | 93 Ų | 93 | 124.9 Ų | 124.9 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | | | trans | -94.9 | -159.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 481 | P | 47.8 | Very low | 33.5 | Very low | 110 Ų | 110 | 127 Ų | 127 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | cis | -149.2 | 176.8 | 20 | 42.3 | -18.8 | 0 | 0 | 0 | 120 | | |
| 482 | V | 30.6 | Very low | 33.8 | Very low | 131 Ų | 131 | 126.4 Ų | 126.4 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | 43.8 | 128.9 | 155 | -65.9 | 0 | 0 | 0 | 0 | 123.9 | | |
| 483 | T | 32.8 | Very low | 33.9 | Very low | 148 Ų | 148 | 125.3 Ų | 125.3 | 91% | 0.908 | 78% | 0.782 | S | S | * | * | | | | -161.2 | 158.9 | 105.4 | 19.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 484 | A | 32.1 | Very low | 33.1 | Very low | 87 Ų | 87 | 123.3 Ų | 123.3 | 72% | 0.719 | 78% | 0.781 | S | S | * | * | | | trans | -86.9 | 178.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 485 | T | 32.4 | Very low | 33.4 | Very low | 124 Ų | 124 | 123.7 Ų | 123.7 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | | | cis | -158.8 | 158.8 | 20.5 | -30.6 | 0 | 0 | 0 | 0 | 112.1 | | |
| 486 | H | 32.2 | Very low | 33.7 | Very low | 170 Ų | 170 | 126.6 Ų | 126.6 | 79% | 0.787 | 78% | 0.78 | S | S | * | * | | | trans | -11.7 | 140 | 165.7 | -72.3 | 87.5 | 0 | 0 | 0 | 120.9 | | |
| 487 | Q | 31.5 | Very low | 34.1 | Very low | 159 Ų | 159 | 127.3 Ų | 127.3 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | | | | -170.4 | 146 | 113.3 | -102.1 | -68.1 | 65 | 0 | 0 | 115.7 | | |
| 488 | H | 32.8 | Very low | 34.3 | Very low | 141 Ų | 141 | 128.6 Ų | 128.6 | 65% | 0.653 | 77% | 0.772 | S | S | * | * | | | trans | 38.7 | 120.2 | 156 | -92.1 | -139.6 | 0 | 0 | 0 | 125.8 | | |
| 489 | I | 30.7 | Very low | 34.3 | Very low | 145 Ų | 145 | 132.2 Ų | 132.2 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | | | | 36.1 | 110.2 | 123.4 | -47.6 | 175.6 | 0 | 0 | 0 | 120 | | |
| 490 | A | 32 | Very low | 35.3 | Very low | 96 Ų | 96 | 133 Ų | 133 | 79% | 0.793 | 77% | 0.767 | S | S | * | * | | | trans | -175.9 | 155.9 | 130.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 491 | Q | 34.2 | Very low | 35.2 | Very low | 181 Ų | 181 | 135.7 Ų | 135.7 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | | | trans | -106.1 | 159.9 | 157.4 | -55.6 | -169.1 | -11.9 | 0 | 0 | 108.8 | | |
| 492 | P | 45.8 | Very low | 34.5 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | | | | -145.9 | 158.9 | 80.6 | 35.8 | -17.1 | 0 | 0 | 0 | 116.7 | | |
| 493 | I | 35.4 | Very low | 34.7 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | trans | 35.5 | 130 | 134.4 | -50.8 | 166.6 | 0 | 0 | 0 | 118.2 | | |
| 494 | G | 32.3 | Very low | 34.9 | Very low | 63 Ų | 63 | 137.2 Ų | 137.2 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | | | cis | 153.2 | 125.2 | 1.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 495 | H | 34.6 | Very low | 34.7 | Very low | 175 Ų | 175 | 137 Ų | 137 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | | | trans | -100.4 | 134.3 | -179.4 | 47.3 | -94.3 | 0 | 0 | 0 | 110.6 | | |
| 496 | I | 37.6 | Very low | 34.7 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | | | trans | -106.4 | 105.5 | -178.6 | -50.8 | 178.3 | 0 | 0 | 0 | 109.5 | | |
| 497 | T | 37.1 | Very low | 35.4 | Very low | 119 Ų | 119 | 132.7 Ų | 132.7 | 73% | 0.73 | 77% | 0.774 | S | S | * | * | | | trans | -108.1 | 134.7 | 166.5 | -62 | 0 | 0 | 0 | 0 | 108.3 | | |
| 498 | V | 34.9 | Very low | 35.5 | Very low | 120 Ų | 120 | 133.1 Ų | 133.1 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | | | trans | -100.6 | 127.4 | -170.3 | -74.4 | 0 | 0 | 0 | 0 | 113 | | |
| 499 | H | 32.2 | Very low | 35.5 | Very low | 182 Ų | 182 | 130.9 Ų | 130.9 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | | | trans | -146.9 | 159.5 | 163.7 | -84.2 | -61.9 | 0 | 0 | 0 | 111.2 | | |
| 500 | P | 51.7 | Low | 35.6 | Very low | 116 Ų | 116 | 129.9 Ų | 129.9 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | | | trans | -111.9 | 162.5 | -154.4 | 40.5 | -33.8 | 0 | 0 | 0 | 116.1 | | |
| 501 | V | 29.3 | Very low | 35.6 | Very low | 150 Ų | 150 | 133.7 Ų | 133.7 | 91% | 0.909 | 79% | 0.793 | S | S | * | * | | | trans | -142.5 | 155.3 | 166 | 172.9 | 0 | 0 | 0 | 0 | 108.9 | | |
| 502 | A | 32.6 | Very low | 35.7 | Very low | 77 Ų | 77 | 132.2 Ų | 132.2 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | | | trans | -130.4 | 157 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 503 | H | 35.7 | Very low | 35.7 | Very low | 175 Ų | 175 | 132 Ų | 132 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | | | | 171.2 | 135 | 128.6 | -97.4 | -75.2 | 0 | 0 | 0 | 114.4 | | |
| 504 | L | 35.5 | Very low | 35.5 | Very low | 169 Ų | 169 | 130 Ų | 130 | 89% | 0.885 | 78% | 0.784 | S | S | * | * | | | trans | 53.6 | 128.2 | 143.1 | -66.7 | 162.6 | 0 | 0 | 0 | 122.8 | | |
| 505 | G | 28.2 | Very low | 35.8 | Very low | 82 Ų | 82 | 134.9 Ų | 134.9 | 85% | 0.845 | 80% | 0.795 | S | S | * | * | | | trans | 166.5 | 123.1 | 161.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 506 | A | 32.1 | Very low | 35.8 | Very low | 97 Ų | 97 | 136.9 Ų | 136.9 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | | | trans | -127.7 | -179.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 507 | P | 46.7 | Very low | 36.4 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 70% | 0.695 | 79% | 0.793 | S | S | * | * | | | cis | -145.4 | -169.3 | 12.6 | 44.5 | -24.3 | 0 | 0 | 0 | 117.3 | | |
| 508 | L | 33.5 | Very low | 36.3 | Very low | 167 Ų | 167 | 137.7 Ų | 137.7 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | | | trans | 72 | 146.2 | 162.4 | -65.4 | 174.8 | 0 | 0 | 0 | 117.9 | | |
| 509 | A | 33.2 | Very low | 36.6 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 80% | 0.797 | S | S | * | * | | | cis | -146.5 | 162.3 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 510 | S | 33.1 | Very low | 37 | Very low | 124 Ų | 124 | 133 Ų | 133 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | | | trans | -116 | 149.9 | 176.2 | 50.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 511 | H | 31.2 | Very low | 36.4 | Very low | 176 Ų | 176 | 133.5 Ų | 133.5 | 82% | 0.815 | 80% | 0.799 | S | S | * | * | | | trans | -139.3 | 121.4 | 176.5 | -173.8 | -79.7 | 0 | 0 | 0 | 111.5 | | |
| 512 | L | 37.6 | Very low | 36.6 | Very low | 151 Ų | 151 | 132.8 Ų | 132.8 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | -108.3 | 140.3 | 171.8 | -91.6 | 166.6 | 0 | 0 | 0 | 109.6 | | |
| 513 | P | 45 | Very low | 36.9 | Very low | 105 Ų | 105 | 135.7 Ų | 135.7 | 68% | 0.682 | 81% | 0.805 | S | S | * | * | | | trans | -89.6 | 108.8 | 161.9 | 32.5 | -26.4 | 0 | 0 | 0 | 110.2 | | |
| 514 | T | 31.1 | Very low | 37 | Very low | 123 Ų | 123 | 135.5 Ų | 135.5 | 76% | 0.755 | 80% | 0.804 | S | S | * | * | | | trans | -80.1 | 132.5 | 168 | -57.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 515 | L | 40.1 | Very low | 37.5 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | -129.6 | 141.4 | 168.3 | -74.8 | 173.8 | 0 | 0 | 0 | 110.3 | | |
| 516 | Y | 34.4 | Very low | 37.8 | Very low | 217 Ų | 217 | 134.8 Ų | 134.8 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 151.8 | -174.5 | -125.7 | -107.8 | 0 | 0 | 0 | 111.6 | | |
| 517 | P | 50.3 | Low | 38.1 | Very low | 114 Ų | 114 | 137.6 Ų | 137.6 | 74% | 0.74 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77.9 | 141.5 | 176.9 | 31.2 | -35.1 | 0 | 0 | 0 | 112.9 | | |
| 518 | Q | 33 | Very low | 38 | Very low | 181 Ų | 181 | 136.1 Ų | 136.1 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -99 | 127.2 | 166.6 | -175.9 | 78.7 | 8.6 | 0 | 0 | 108.6 | | |
| 519 | G | 41.9 | Very low | 38 | Very low | 68 Ų | 68 | 131 Ų | 131 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 139.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 520 | V | 40.3 | Very low | 38.3 | Very low | 134 Ų | 134 | 133.1 Ų | 133.1 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | | | trans | -154.9 | 152.3 | 161.6 | -102.2 | 0 | 0 | 0 | 0 | 109 | | |
| 521 | P | 39.3 | Very low | 38.5 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 83% | 0.831 | 75% | 0.752 | S | S | * | * | | | trans | -80.8 | 154.1 | -160.4 | 31 | -36.6 | 0 | 0 | 0 | 115.3 | | |
| 522 | V | 34.7 | Very low | 38.5 | Very low | 135 Ų | 135 | 131 Ų | 131 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | | | trans | -111.9 | 129.6 | 174.4 | 170.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 523 | T | 37.8 | Very low | 38.5 | Very low | 137 Ų | 137 | 132.1 Ų | 132.1 | 84% | 0.84 | 75% | 0.751 | S | S | * | * | | | trans | -82.3 | 138.8 | 167.3 | 41.2 | 0 | 0 | 0 | 0 | 111.1 | | |
| 524 | Q | 38.4 | Very low | 38 | Very low | 172 Ų | 172 | 133.6 Ų | 133.6 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -81.1 | 160.9 | 179 | -58.4 | -169.2 | 51.2 | 0 | 0 | 111.9 | | |
| 525 | P | 45.7 | Very low | 38.2 | Very low | 118 Ų | 118 | 136 Ų | 136 | 77% | 0.766 | 76% | 0.758 | S | S | * | * | | | | -136.4 | 147.8 | 85.9 | 15.7 | 7.1 | 0 | 0 | 0 | 116.8 | | |
| 526 | T | 33.7 | Very low | 37.6 | Very low | 118 Ų | 118 | 134.2 Ų | 134.2 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | | | | 26.8 | 130.7 | 113.5 | -44.4 | 0 | 0 | 0 | 0 | 117.9 | | |
| 527 | M | 39.7 | Very low | 37.5 | Very low | 156 Ų | 156 | 131 Ų | 131 | 77% | 0.768 | 75% | 0.747 | S | S | * | * | | | cis | -162.6 | 167.9 | -2.6 | 176.8 | 174.6 | 77.5 | 0 | 0 | 111.4 | | |
| 528 | V | 45.3 | Very low | 36.6 | Very low | 75 Ų | 75 | 134.3 Ų | 134.3 | 46% | 0.455 | 75% | 0.752 | S | S | . | * | | | trans | -37.4 | 151.1 | 167.2 | -173.4 | 0 | 0 | 0 | 0 | 116.2 | H530 | V528-H530 WeakPolarHBondContact CG1-CE1 3.15Å; V528-H530 WeakPolarHBondContact CG1-NE2 3.46Å |
| 529 | G | 31.9 | Very low | 36.6 | Very low | 61 Ų | 61 | 130 Ų | 130 | 63% | 0.629 | 75% | 0.748 | S | S | * | * | | | cis | 154.7 | 170.3 | -6.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 530 | H | 39.6 | Very low | 36.2 | Very low | 138 Ų | 138 | 134.9 Ų | 134.9 | 64% | 0.639 | 76% | 0.757 | S | S | * | * | | | trans | 37.2 | 128.6 | 156.1 | 48.1 | -125.6 | 0 | 0 | 0 | 124.5 | V528 | V528-H530 WeakPolarHBondContact CG1-CE1 3.15Å; V528-H530 WeakPolarHBondContact CG1-NE2 3.46Å |
| 531 | I | 37.2 | Very low | 36.3 | Very low | 129 Ų | 129 | 134.4 Ų | 134.4 | 66% | 0.662 | 76% | 0.757 | S | S | * | * | | | trans | -145 | 138 | 137.7 | -54.7 | -178.5 | 0 | 0 | 0 | 108.8 | | |
| 532 | T | 32.7 | Very low | 35.9 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | | | trans | -139.6 | 133.8 | 171.1 | -62.3 | 0 | 0 | 0 | 0 | 110.3 | | |
| 533 | H | 37.4 | Very low | 35.7 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 81% | 0.81 | 75% | 0.75 | S | S | * | * | | | trans | -136.7 | 158.1 | 167.5 | -80.2 | -81 | 0 | 0 | 0 | 111.6 | | |
| 534 | T | 34 | Very low | 35.3 | Very low | 136 Ų | 136 | 136.1 Ų | 136.1 | 83% | 0.834 | 74% | 0.743 | S | S | * | * | | | trans | -105.1 | 168.5 | -163.9 | 40.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 535 | F | 35.4 | Very low | 34.8 | Very low | 172 Ų | 172 | 132.9 Ų | 132.9 | 75% | 0.754 | 75% | 0.746 | S | S | * | * | | | trans | -66.7 | 152.1 | -174.3 | -92 | -112.9 | 0 | 0 | 0 | 115.2 | H537 | F535-H537 AromaticContact CD1-CD2 3.79Å; F535-H537 AromaticContact CD1-NE2 3.52Å; F535-H537 AromaticContact CE1-NE2 3.7Å |
| 536 | T | 26.4 | Very low | 33.9 | Very low | 128 Ų | 128 | 131 Ų | 131 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | | | trans | -136.8 | 124.2 | 148 | -61.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 537 | H | 32.3 | Very low | 33.8 | Very low | 151 Ų | 151 | 130.6 Ų | 130.6 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | | | trans | -88.8 | 143.3 | 170.8 | -79.7 | -94.8 | 0 | 0 | 0 | 110.8 | F535 | F535-H537 AromaticContact CD1-CD2 3.79Å; F535-H537 AromaticContact CD1-NE2 3.52Å; F535-H537 AromaticContact CE1-NE2 3.7Å |
| 538 | H | 31.9 | Very low | 33.3 | Very low | 183 Ų | 183 | 132.7 Ų | 132.7 | 85% | 0.847 | 76% | 0.764 | S | S | * | * | | | trans | -138.1 | 141.8 | 156.5 | -92.8 | 52.3 | 0 | 0 | 0 | 108.5 | | |
| 539 | A | 32.8 | Very low | 32.5 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | -156.5 | 133.5 | 180 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 540 | L | 33.6 | Very low | 32.4 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | | | trans | 173.5 | 161.9 | 159.8 | -120.5 | 82.5 | 0 | 0 | 0 | 107.7 | | |
| 541 | P | 42.4 | Very low | 32.1 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | | | cis | -122.8 | -164.1 | -29.7 | 37.4 | -20.6 | 0 | 0 | 0 | 111.8 | | |
| 542 | H | 31.5 | Very low | 31.8 | Very low | 152 Ų | 152 | 138.9 Ų | 138.9 | 70% | 0.704 | 81% | 0.805 | S | S | * | * | | | trans | -132.5 | 132 | -174.3 | 159.6 | 95.5 | 0 | 0 | 0 | 113.3 | | |
| 543 | V | 30.6 | Very low | 31.6 | Very low | 132 Ų | 132 | 137 Ų | 137 | 80% | 0.8 | 81% | 0.811 | S | S | * | * | | | trans | -156.5 | 141.5 | 162 | 179.7 | 0 | 0 | 0 | 0 | 105.6 | | |
| 544 | Q | 29.5 | Very low | 31.3 | Very low | 152 Ų | 152 | 133.1 Ų | 133.1 | 71% | 0.71 | 81% | 0.809 | S | S | * | * | | | cis | 120.3 | 139 | -0.1 | -167.7 | 177.6 | 9 | 0 | 0 | 113.4 | | |
| 545 | A | 28.3 | Very low | 31.2 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | | | trans | 69.1 | 147 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 546 | G | 26.7 | Very low | 31 | Very low | 80 Ų | 80 | 133.2 Ų | 133.2 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | | | cis | 131.8 | 102.6 | -16 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 547 | A | 30.3 | Very low | 31.3 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | | | trans | -157.4 | 160.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 548 | Q | 29 | Very low | 31.1 | Very low | 200 Ų | 200 | 131.2 Ų | 131.2 | 94% | 0.935 | 82% | 0.819 | S | S | * | * | | | trans | -131.8 | 141.9 | 178 | -72.2 | -172.6 | -31.9 | 0 | 0 | 112.8 | | |
| 549 | A | 29.1 | Very low | 31.1 | Very low | 96 Ų | 96 | 127.3 Ų | 127.3 | 79% | 0.793 | 82% | 0.819 | S | S | * | * | | | trans | -176.9 | 125.6 | 145.2 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 550 | N | 29.8 | Very low | 31 | Very low | 137 Ų | 137 | 127 Ų | 127 | 73% | 0.733 | 82% | 0.816 | S | S | * | * | | | | 72.9 | 105.5 | 50.4 | -174 | 29.5 | 0 | 0 | 0 | 115.3 | | |
| 551 | T | 33 | Very low | 30.9 | Very low | 140 Ų | 140 | 125.5 Ų | 125.5 | 86% | 0.859 | 81% | 0.814 | S | S | * | * | | | trans | -158.1 | 149.5 | 137.7 | 26.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 552 | N | 31.4 | Very low | 30.5 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | | | trans | -106.3 | 151.8 | 168.2 | -67.5 | -86.5 | 0 | 0 | 0 | 109.6 | | |
| 553 | G | 27.9 | Very low | 30.5 | Very low | 86 Ų | 86 | 123.1 Ų | 123.1 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | | | trans | -174.5 | 132.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 554 | A | 31.2 | Very low | 30.5 | Very low | 95 Ų | 95 | 125.8 Ų | 125.8 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | | | trans | -119.7 | 175.2 | -164.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 555 | Q | 31.8 | Very low | 30.5 | Very low | 186 Ų | 186 | 121.8 Ų | 121.8 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | | | trans | 74.6 | 157.5 | 155.4 | -105.5 | -179 | 3.6 | 0 | 0 | 117.1 | | |
| 556 | V | 32.1 | Very low | 30.7 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 75% | 0.745 | 81% | 0.814 | S | S | * | * | | | cis | -138.1 | 166.3 | 4.4 | -165.3 | 0 | 0 | 0 | 0 | 111.4 | | |
| 557 | S | 31.3 | Very low | 31.5 | Very low | 110 Ų | 110 | 125 Ų | 125 | 77% | 0.769 | 82% | 0.815 | S | S | * | * | | | trans | -61.5 | 159.5 | 176.5 | -34.5 | 0 | 0 | 0 | 0 | 118.6 | | |
| 558 | S | 28.1 | Very low | 31.8 | Very low | 127 Ų | 127 | 125 Ų | 125 | 89% | 0.888 | 81% | 0.808 | S | S | * | * | | | trans | -162.6 | 157.1 | 153.4 | -77.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 559 | A | 32.1 | Very low | 32.1 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 84% | 0.843 | 81% | 0.807 | S | S | * | * | | | trans | -165.3 | 166 | -173.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 560 | A | 30.6 | Very low | 32.2 | Very low | 85 Ų | 85 | 122.1 Ų | 122.1 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | | | trans | 90.4 | 144.8 | 148.3 | 0 | 0 | 0 | 0 | 0 | 122.5 | | |
| 561 | V | 33 | Very low | 32.4 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | | | trans | 61.3 | 150.5 | 151.7 | -71.2 | 0 | 0 | 0 | 0 | 121.5 | | |
| 562 | V | 33.7 | Very low | 33.1 | Very low | 130 Ų | 130 | 124.4 Ų | 124.4 | 79% | 0.788 | 80% | 0.803 | S | S | * | * | | | cis | -169.9 | 164.6 | -27.9 | 112.8 | 0 | 0 | 0 | 0 | 111 | | |
| 563 | S | 30.9 | Very low | 33.2 | Very low | 95 Ų | 95 | 123.3 Ų | 123.3 | 66% | 0.664 | 80% | 0.803 | S | S | * | * | | | trans | 91 | 140.9 | 152 | -104.1 | 0 | 0 | 0 | 0 | 125.1 | | |
| 564 | Q | 31.5 | Very low | 33.5 | Very low | 189 Ų | 189 | 123.2 Ų | 123.2 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | 64.5 | 150.6 | 152.8 | -54.9 | -81.8 | -26.5 | 0 | 0 | 118.7 | | |
| 565 | G | 29.6 | Very low | 33.4 | Very low | 68 Ų | 68 | 124.5 Ų | 124.5 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | cis | 178.9 | 155.1 | -6.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 566 | S | 31.9 | Very low | 33.4 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 84% | 0.839 | 79% | 0.791 | S | S | * | * | | | trans | -99.6 | 169.2 | -172.5 | -43.2 | 0 | 0 | 0 | 0 | 114.9 | | |
| 567 | P | 44.1 | Very low | 33.6 | Very low | 130 Ų | 130 | 121.6 Ų | 121.6 | 84% | 0.844 | 79% | 0.789 | S | S | * | * | | | | -151 | -162.6 | 101.6 | 40.3 | -21.1 | 0 | 0 | 0 | 116.7 | | |
| 568 | S | 35.3 | Very low | 34.3 | Very low | 108 Ų | 108 | 122.5 Ų | 122.5 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | | | trans | -92.8 | -170.6 | -167.9 | 52.7 | 0 | 0 | 0 | 0 | 114.7 | | |
| 569 | L | 36.7 | Very low | 34.5 | Very low | 172 Ų | 172 | 124.4 Ų | 124.4 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | | | cis | -174.8 | 154.6 | 39.5 | -179.4 | 65.8 | 0 | 0 | 0 | 113.1 | | |
| 570 | G | 30.3 | Very low | 35.6 | Very low | 64 Ų | 64 | 124 Ų | 124 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | | | trans | 152.2 | 141.6 | 157.7 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 571 | K | 33.3 | Very low | 35.5 | Very low | 209 Ų | 209 | 128.1 Ų | 128.1 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | | | trans | -152.5 | 161.9 | 168.3 | -57.2 | -175.6 | 179.7 | 179.2 | 0 | 109.3 | | |
| 572 | P | 48.9 | Very low | 35.8 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | | | | -159.3 | 168.9 | 84.1 | 42.3 | -21.8 | 0 | 0 | 0 | 119 | | |
| 573 | T | 32.9 | Very low | 35.8 | Very low | 137 Ų | 137 | 129.5 Ų | 129.5 | 84% | 0.84 | 78% | 0.782 | S | S | * | * | | | trans | 52 | 150 | 139.7 | -58.9 | 0 | 0 | 0 | 0 | 123.3 | | |
| 574 | A | 33.5 | Very low | 35.7 | Very low | 84 Ų | 84 | 128.1 Ų | 128.1 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | | | cis | -179 | -171.1 | -30.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 575 | V | 29.8 | Very low | 35.7 | Very low | 122 Ų | 122 | 128.9 Ų | 128.9 | 74% | 0.739 | 79% | 0.786 | S | S | * | * | | | trans | 109.2 | 108 | 154.1 | -177.1 | 0 | 0 | 0 | 0 | 120.2 | | |
| 576 | L | 32.7 | Very low | 36.1 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 86% | 0.859 | 79% | 0.793 | S | S | * | * | | | trans | 39.6 | 164.3 | 140.6 | -78.4 | 60.1 | 0 | 0 | 0 | 122.2 | | |
| 577 | A | 35.5 | Very low | 36.2 | Very low | 85 Ų | 85 | 129.9 Ų | 129.9 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | | | cis | 172.7 | -170.7 | -21.2 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 578 | P | 45.1 | Very low | 36.1 | Very low | 128 Ų | 128 | 130.2 Ų | 130.2 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | | | cis | -121.5 | -154.5 | -16.8 | 44.6 | -28.6 | 0 | 0 | 0 | 111.2 | | |
| 579 | H | 32.2 | Very low | 36.1 | Very low | 167 Ų | 167 | 133 Ų | 133 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | | -167.7 | -147 | -53.9 | -167.7 | -0.8 | 0 | 0 | 0 | 108 | | |
| 580 | P | 55.3 | Low | 36 | Very low | 93 Ų | 93 | 131 Ų | 131 | 60% | 0.604 | 79% | 0.79 | S | S | * | * | | | trans | -85.9 | 166.6 | -133.7 | 40.2 | -33.3 | 0 | 0 | 0 | 117.7 | | |
| 581 | Q | 29.1 | Very low | 36.8 | Very low | 172 Ų | 172 | 133.3 Ų | 133.3 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | cis | 95.8 | 100.5 | 6.3 | -171.6 | -159.7 | -37.5 | 0 | 0 | 118.7 | | |
| 582 | L | 38.5 | Very low | 36.9 | Very low | 162 Ų | 162 | 128.5 Ų | 128.5 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | | | trans | -171.2 | 147 | 154 | -133.4 | 75.2 | 0 | 0 | 0 | 116.6 | | |
| 583 | V | 34 | Very low | 36.7 | Very low | 135 Ų | 135 | 129 Ų | 129 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | 33.8 | 142 | 143.4 | 166.1 | 0 | 0 | 0 | 0 | 123.4 | | |
| 584 | G | 30 | Very low | 36.9 | Very low | 66 Ų | 66 | 130.7 Ų | 130.7 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | | | trans | 168.2 | 67.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 124.2 | | |
| 585 | Q | 31 | Very low | 37.5 | Very low | 206 Ų | 206 | 132.3 Ų | 132.3 | 96% | 0.963 | 78% | 0.784 | S | S | * | * | | | trans | 57.3 | -177.6 | 150.6 | -59.6 | -148.9 | 73.7 | 0 | 0 | 120.9 | | |
| 586 | A | 37.7 | Very low | 38 | Very low | 103 Ų | 103 | 132.8 Ų | 132.8 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | | | trans | -135.8 | 154.9 | -168.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 587 | A | 34.4 | Very low | 38.6 | Very low | 105 Ų | 105 | 130.4 Ų | 130.4 | 87% | 0.868 | 78% | 0.779 | S | S | * | * | | | trans | -152.7 | 146.6 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 588 | V | 42 | Very low | 39.3 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 84% | 0.836 | 78% | 0.784 | S | S | * | * | | | trans | -88.7 | 141.6 | 165.6 | 171.8 | 0 | 0 | 0 | 0 | 108.4 | | |
| 589 | L | 35.2 | Very low | 39 | Very low | 167 Ų | 167 | 132.4 Ų | 132.4 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | | | trans | -175.2 | 154.4 | 146.5 | -103.9 | 164.8 | 0 | 0 | 0 | 112 | | |
| 590 | N | 34 | Very low | 39.4 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 70% | 0.695 | 78% | 0.784 | S | S | * | * | | | trans | -116.9 | 133.9 | 168.7 | 170.9 | 13.5 | 0 | 0 | 0 | 107.4 | V592 | N590-V592 PolarHBondContact OD1-N 2.83Š|
| 591 | P | 47.8 | Very low | 39.3 | Very low | 111 Ų | 111 | 134.7 Ų | 134.7 | 72% | 0.721 | 79% | 0.794 | S | S | * | * | | | trans | -144.4 | 127.1 | 130.3 | 33.9 | -17.7 | 0 | 0 | 0 | 115.4 | | |
| 592 | V | 36.1 | Very low | 39.8 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 66% | 0.661 | 79% | 0.791 | S | S | * | * | | | | 34.4 | 111.3 | 116.1 | -179.7 | 0 | 0 | 0 | 0 | 117.9 | N590 | N590-V592 PolarHBondContact OD1-N 2.83Š|
| 593 | T | 44.1 | Very low | 39.7 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | | | trans | 42.2 | 129.5 | 153.4 | 64.2 | 0 | 0 | 0 | 0 | 121.2 | | |
| 594 | M | 37 | Very low | 40 | Very low | 173 Ų | 173 | 129.3 Ų | 129.3 | 85% | 0.852 | 78% | 0.784 | S | S | * | * | | | | -153.3 | 152 | 125.8 | -102.6 | -52.4 | -78.6 | 0 | 0 | 111.4 | | |
| 595 | V | 45.8 | Very low | 40.4 | Very low | 119 Ų | 119 | 133.9 Ų | 133.9 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | | | trans | -88.1 | 132.5 | 177.2 | 174.2 | 0 | 0 | 0 | 0 | 110.3 | | |
| 596 | T | 40.8 | Very low | 41.1 | Very low | 132 Ų | 132 | 133.1 Ų | 133.1 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | -137.9 | 114.7 | 168.4 | -59.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 597 | V | 46 | Very low | 41.3 | Very low | 114 Ų | 114 | 136.1 Ų | 136.1 | 69% | 0.691 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 140.1 | 169.9 | -77.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 598 | P | 48.2 | Very low | 41.8 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 125.2 | 171.7 | -15.6 | 31 | 0 | 0 | 0 | 111.9 | | |
| 599 | T | 40.5 | Very low | 41.8 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 80% | 0.798 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 134.4 | 178.2 | -60.8 | 0 | 0 | 0 | 0 | 112.2 | | |
| 600 | F | 38.8 | Very low | 42.2 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 80% | 0.798 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 134.9 | 169.5 | -76 | -95.7 | 0 | 0 | 0 | 112.4 | V602 | F600-V602 HydrophobicContact CB-CG2 4.4Š|
| 601 | P | 54.6 | Low | 42.6 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 144.1 | 152.4 | 33.6 | -29.8 | 0 | 0 | 0 | 110.8 | | |
| 602 | V | 39 | Very low | 42.3 | Very low | 121 Ų | 121 | 140.2 Ų | 140.2 | 73% | 0.733 | 82% | 0.822 | S | S | * | * | | | trans | -128.9 | 141.3 | -169.3 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | F600 | F600-V602 HydrophobicContact CB-CG2 4.4Š|
| 603 | S | 36.8 | Very low | 42.7 | Very low | 108 Ų | 108 | 142.1 Ų | 142.1 | 76% | 0.755 | 83% | 0.832 | S | S | * | * | | | trans | 64.8 | 146.7 | 173.3 | -60 | 0 | 0 | 0 | 0 | 115.6 | | |
| 604 | T | 39.7 | Very low | 42.6 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 78% | 0.779 | 84% | 0.837 | S | S | * | * | | | cis | -158.4 | 166.2 | 47.9 | 42.3 | 0 | 0 | 0 | 0 | 112 | | |
| 605 | L | 39.3 | Very low | 43 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 85% | 0.853 | 84% | 0.836 | S | S | * | * | | | trans | 139.9 | 95.2 | 160.6 | -79.7 | 162 | 0 | 0 | 0 | 107.6 | | |
| 606 | K | 45 | Very low | 42.8 | Very low | 190 Ų | 190 | 142.9 Ų | 142.9 | 83% | 0.826 | 85% | 0.845 | S | S | * | * | | | | 84.1 | 120.3 | 64 | -175.5 | 177.4 | 176.5 | -179.2 | 0 | 112.1 | | |
| 607 | L | 41.6 | Very low | 43 | Very low | 165 Ų | 165 | 143.8 Ų | 143.8 | 86% | 0.864 | 85% | 0.848 | S | S | * | * | | | trans | -65.2 | 148.5 | 177.6 | -70.8 | 71.1 | 0 | 0 | 0 | 112.7 | | |
| 608 | A | 46.1 | Very low | 42.7 | Very low | 176 Ų | 176 | 146.5 Ų | 146.5 | 100% | 1.455 | 86% | 0.862 | S | S | * | * | | | trans | -138.1 | 0 | 135.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |