| 1 | M | 68.8 | Low | 91.4 | Very high | 234 Ų | 234 | 122.3 Ų | 122.3 | 100% | 1.153 | 63% | 0.634 | S | S | * | * | | | | 0 | 111.4 | 0 | -81 | -50.7 | -161.1 | 0 | 0 | 108.6 | | |
| 2 | G | 80.4 | Confident | 91.9 | Very high | 79 Ų | 79 | 122.5 Ų | 122.5 | 81% | 0.814 | 63% | 0.63 | S | S | * | * | | | trans | -82.7 | 114.7 | 176 | 0 | 0 | 0 | 0 | 0 | 109.4 | K4 | G2-K4 PolarHBondContact O-N 3.45Š|
| 3 | Y | 85.2 | Confident | 92.3 | Very high | 214 Ų | 214 | 119 Ų | 119 | 84% | 0.839 | 61% | 0.612 | S | S | * | * | | | trans | -71.9 | 117.8 | 167.8 | -109.7 | -94 | 0 | 0 | 0 | 108.1 | | |
| 4 | K | 91.1 | Very high | 92.6 | Very high | 174 Ų | 174 | 116.9 Ų | 116.9 | 76% | 0.757 | 60% | 0.6 | S | S | * | * | | | trans | -103.2 | 128.2 | 174.7 | -171.1 | 176.9 | 178.3 | -176.6 | 0 | 107.5 | G2 Q6 | G2-K4 PolarHBondContact O-N 3.45Å; K4-Q6 PolarHBondContact O-N 3.44Å; K4-Q6 VanDerWaalsContact O-N 3.14Å |
| 5 | L | 95.5 | Very high | 92.9 | Very high | 86 Ų | 86 | 112.5 Ų | 112.5 | 45% | 0.45 | 59% | 0.588 | S | S | . | * | | | trans | -67.6 | 112.8 | 177.8 | -49.5 | 179.3 | 0 | 0 | 0 | 108.3 | D10 V11 M14 | L5-D10 HydrophobicContact CB-CB 4.09Å; L5-D10 HydrophobicContact CD2-CB 3.98Å; L5-V11 HydrophobicContact CB-CG2 4.15Å; L5-V11 HydrophobicContact CD1-CG2 3.88Å; L5-M14 HydrophobicContact CD2-CB 4.15Å; L5-M14 HydrophobicContact CD2-CG 3.53Å |
| 6 | Q | 96.6 | Very high | 93.2 | Very high | 157 Ų | 157 | 115.7 Ų | 115.7 | 73% | 0.734 | 59% | 0.59 | S | S | * | * | | | trans | -90 | -32.1 | -171.2 | -174.2 | 53.5 | 75.4 | 0 | 0 | 111.8 | K4 D10 | K4-Q6 PolarHBondContact O-N 3.44Å; K4-Q6 VanDerWaalsContact O-N 3.14Å; Q6-D10 VanDerWaalsContact CB-OD2 3.31Å; Q6-D10 WeakPolarHBondContact CB-OD2 3.07Å; Q6-D10 PolarHBondContact N-OD2 2.98Å |
| 7 | D | 97.6 | Very high | 93.4 | Very high | 79 Ų | 79 | 114.6 Ų | 114.6 | 42% | 0.422 | 59% | 0.586 | S | S | . | * | S | Bend | trans | -145.7 | -177.1 | -178.7 | 72 | -1.3 | 0 | 0 | 0 | 112.2 | T9 D10 V11 | D7-T9 PolarHBondContact O-N 3.33Å; D7-T9 WeakPolarHBondContact OD1-CA 3.26Å; D7-T9 WeakPolarHBondContact OD1-CB 3.33Å; D7-T9 PolarHBondContact OD1-N 3.42Å; D7-T9 WeakPolarHBondContact OD2-CB 3.18Å; D7-T9 PolarHBondContact OD2-OG1 3.01Å; D7-D10 PolarHBondContact O-N 3.47Å; D7-D10 PolarHBondContact OD1-N 3.16Å; D7-V11 WeakPolarHBondContact O-CG2 3.43Å; D7-V11 PolarHBondContact O-N 2.92Å |
| 8 | L | 97.5 | Very high | 93.6 | Very high | 138 Ų | 138 | 116.6 Ų | 116.6 | 72% | 0.723 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66 | -25.6 | 177.2 | -73.6 | 170.5 | 0 | 0 | 0 | 112.7 | V11 Q12 | L8-V11 PolarHBondContact O-N 3.06Å; L8-Q12 VanDerWaalsContact O-CG 3.29Å; L8-Q12 WeakPolarHBondContact O-CG 3.1Å; L8-Q12 PolarHBondContact O-N 2.93Å; L8-Q12 VanDerWaalsContact O-N 3.07Å |
| 9 | T | 97.8 | Very high | 93.7 | Very high | 70 Ų | 70 | 115.5 Ų | 115.5 | 43% | 0.429 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.4 | -47 | 178.6 | -43.7 | 0 | 0 | 0 | 0 | 110.1 | D7 V11 Q12 I13 | D7-T9 PolarHBondContact O-N 3.33Å; D7-T9 WeakPolarHBondContact OD1-CA 3.26Å; D7-T9 WeakPolarHBondContact OD1-CB 3.33Å; D7-T9 PolarHBondContact OD1-N 3.42Å; D7-T9 WeakPolarHBondContact OD2-CB 3.18Å; D7-T9 PolarHBondContact OD2-OG1 3.01Å; T9-V11 VanDerWaalsContact C-N 3.29Å; T9-V11 PolarHBondContact O-N 3.31Å; T9-Q12 WeakPolarHBondContact O-CB 3.28Å; T9-Q12 PolarHBondContact O-N 2.79Å; T9-Q12 VanDerWaalsContact O-N 3.11Å; T9-I13 HydrophobicContact CG2-CD1 4.02Å; T9-I13 WeakPolarHBondContact O-CG1 3.04Å; T9-I13 PolarHBondContact O-N 3.31Å |
| 10 | D | 97.3 | Very high | 93.8 | Very high | 47 Ų | 47 | 114 Ų | 114 | 25% | 0.251 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.2 | -42.1 | 176.7 | -71.9 | -15 | 0 | 0 | 0 | 111.5 | L5 Q6 D7 Q12 I13 M14 | L5-D10 HydrophobicContact CB-CB 4.09Å; L5-D10 HydrophobicContact CD2-CB 3.98Å; Q6-D10 VanDerWaalsContact CB-OD2 3.31Å; Q6-D10 WeakPolarHBondContact CB-OD2 3.07Å; Q6-D10 PolarHBondContact N-OD2 2.98Å; D7-D10 PolarHBondContact O-N 3.47Å; D7-D10 PolarHBondContact OD1-N 3.16Å; D10-Q12 VanDerWaalsContact C-N 3.33Å; D10-Q12 PolarHBondContact O-N 2.99Å; D10-I13 PolarHBondContact O-N 2.86Å; D10-M14 WeakPolarHBondContact O-CB 3.4Å; D10-M14 VanDerWaalsContact O-CG 3.29Å; D10-M14 WeakPolarHBondContact O-CG 3.49Å; D10-M14 PolarHBondContact O-N 2.95Å |
| 11 | V | 97.3 | Very high | 93.9 | Very high | 67 Ų | 67 | 111.3 Ų | 111.3 | 41% | 0.406 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -59.7 | -45 | 175.7 | 177.5 | 0 | 0 | 0 | 0 | 110.7 | L5 D7 L8 T9 A15 | L5-V11 HydrophobicContact CB-CG2 4.15Å; L5-V11 HydrophobicContact CD1-CG2 3.88Å; D7-V11 WeakPolarHBondContact O-CG2 3.43Å; D7-V11 PolarHBondContact O-N 2.92Å; L8-V11 PolarHBondContact O-N 3.06Å; T9-V11 VanDerWaalsContact C-N 3.29Å; T9-V11 PolarHBondContact O-N 3.31Å; V11-A15 WeakPolarHBondContact O-CB 3.47Å; V11-A15 PolarHBondContact O-N 3.02Å |
| 12 | Q | 97.7 | Very high | 95.1 | Very high | 125 Ų | 125 | 104.5 Ų | 104.5 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67 | -41.2 | 179.8 | -72.1 | 172.4 | -3.8 | 0 | 0 | 112.6 | L8 T9 D10 R16 | L8-Q12 VanDerWaalsContact O-CG 3.29Å; L8-Q12 WeakPolarHBondContact O-CG 3.1Å; L8-Q12 PolarHBondContact O-N 2.93Å; L8-Q12 VanDerWaalsContact O-N 3.07Å; T9-Q12 WeakPolarHBondContact O-CB 3.28Å; T9-Q12 PolarHBondContact O-N 2.79Å; T9-Q12 VanDerWaalsContact O-N 3.11Å; D10-Q12 VanDerWaalsContact C-N 3.33Å; D10-Q12 PolarHBondContact O-N 2.99Å; Q12-R16 WeakPolarHBondContact O-CB 3.13Å; Q12-R16 PolarHBondContact O-N 3.44Å |
| 13 | I | 97.4 | Very high | 95.8 | Very high | 77 Ų | 77 | 106.7 Ų | 106.7 | 40% | 0.395 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -49.4 | 176.7 | -69.3 | 168.5 | 0 | 0 | 0 | 109.6 | T9 D10 A15 R16 L17 | T9-I13 HydrophobicContact CG2-CD1 4.02Å; T9-I13 WeakPolarHBondContact O-CG1 3.04Å; T9-I13 PolarHBondContact O-N 3.31Å; D10-I13 PolarHBondContact O-N 2.86Å; I13-A15 VanDerWaalsContact C-N 3.35Å; I13-A15 PolarHBondContact O-N 2.96Å; I13-R16 PolarHBondContact O-N 3.28Å; I13-L17 HydrophobicContact CG2-CD1 3.91Å; I13-L17 HydrophobicContact CG2-CG 4.37Å; I13-L17 WeakPolarHBondContact O-CG 3.45Å; I13-L17 PolarHBondContact O-N 2.93Å |
| 14 | M | 96.9 | Very high | 96.2 | Very high | 89 Ų | 89 | 101.3 Ų | 101.3 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67 | -36.5 | -179.2 | -69.5 | -60.5 | -63.6 | 0 | 0 | 112.4 | L5 D10 L17 Q18 | L5-M14 HydrophobicContact CD2-CB 4.15Å; L5-M14 HydrophobicContact CD2-CG 3.53Å; D10-M14 WeakPolarHBondContact O-CB 3.4Å; D10-M14 VanDerWaalsContact O-CG 3.29Å; D10-M14 WeakPolarHBondContact O-CG 3.49Å; D10-M14 PolarHBondContact O-N 2.95Å; M14-L17 PolarHBondContact O-N 2.84Å; M14-L17 HydrophobicContact SD-CD1 3.98Å; M14-Q18 VanDerWaalsContact O-CB 3.3Å; M14-Q18 WeakPolarHBondContact O-CB 3.32Å; M14-Q18 PolarHBondContact O-N 3.1Å |
| 15 | A | 96.7 | Very high | 96.2 | Very high | 52 Ų | 52 | 97.4 Ų | 97.4 | 43% | 0.43 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.2 | -46 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | V11 I13 Q18 E19 | V11-A15 WeakPolarHBondContact O-CB 3.47Å; V11-A15 PolarHBondContact O-N 3.02Å; I13-A15 VanDerWaalsContact C-N 3.35Å; I13-A15 PolarHBondContact O-N 2.96Å; A15-Q18 PolarHBondContact O-N 3.24Å; A15-E19 VanDerWaalsContact O-CB 3.31Å; A15-E19 WeakPolarHBondContact O-CB 3.49Å; A15-E19 PolarHBondContact O-N 3.13Å |
| 16 | R | 97.3 | Very high | 95.7 | Very high | 163 Ų | 163 | 100.3 Ų | 100.3 | 62% | 0.615 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.3 | -44.3 | 176.1 | -176.4 | -177.1 | -66.1 | 124.4 | 0.5 | 111.8 | Q12 I13 E19 E20 | Q12-R16 WeakPolarHBondContact O-CB 3.13Å; Q12-R16 PolarHBondContact O-N 3.44Å; I13-R16 PolarHBondContact O-N 3.28Å; R16-E19 PolarHBondContact O-N 2.93Å; R16-E20 VanDerWaalsContact O-CB 3.28Å; R16-E20 WeakPolarHBondContact O-CB 3.29Å; R16-E20 PolarHBondContact O-N 3.25Å |
| 17 | L | 96.9 | Very high | 94.9 | Very high | 98 Ų | 98 | 95.8 Ų | 95.8 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 178.7 | -72.3 | 173.7 | 0 | 0 | 0 | 111.9 | I13 M14 E20 S21 | I13-L17 HydrophobicContact CG2-CD1 3.91Å; I13-L17 HydrophobicContact CG2-CG 4.37Å; I13-L17 WeakPolarHBondContact O-CG 3.45Å; I13-L17 PolarHBondContact O-N 2.93Å; M14-L17 PolarHBondContact O-N 2.84Å; M14-L17 HydrophobicContact SD-CD1 3.98Å; L17-E20 PolarHBondContact O-N 2.7Å; L17-S21 WeakPolarHBondContact O-CB 3.22Å; L17-S21 PolarHBondContact O-N 3.19Å |
| 18 | Q | 96.4 | Very high | 93.7 | Very high | 150 Ų | 150 | 95.7 Ų | 95.7 | 70% | 0.701 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.3 | -41.3 | 176.4 | -172.7 | 173.9 | 22.5 | 0 | 0 | 111.5 | M14 A15 L22 | M14-Q18 VanDerWaalsContact O-CB 3.3Å; M14-Q18 WeakPolarHBondContact O-CB 3.32Å; M14-Q18 PolarHBondContact O-N 3.1Å; A15-Q18 PolarHBondContact O-N 3.24Å; Q18-L22 WeakPolarHBondContact O-CB 3.49Å; Q18-L22 PolarHBondContact O-N 2.87Å |
| 19 | E | 95.9 | Very high | 92 | Very high | 95 Ų | 95 | 92.9 Ų | 92.9 | 44% | 0.444 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 176.7 | -159.8 | -165.9 | -160 | 0 | 0 | 112 | A15 R16 L22 R23 | A15-E19 VanDerWaalsContact O-CB 3.31Å; A15-E19 WeakPolarHBondContact O-CB 3.49Å; A15-E19 PolarHBondContact O-N 3.13Å; R16-E19 PolarHBondContact O-N 2.93Å; E19-L22 PolarHBondContact O-N 3.1Å; E19-R23 WeakPolarHBondContact O-CG 3.43Å; E19-R23 PolarHBondContact O-N 2.64Å; E19-R23 IonicContact OE1-CZ 3.41Å; E19-R23 IonicContact OE1-NH1 3.52Å; E19-R23 IonicContact OE1-NH2 2.64Å; E19-R23 PolarHBondContact OE1-NH2 2.99Å; E19-R23 IonicContact OE2-CZ 3.29Å; E19-R23 IonicContact OE2-NH1 2.78Å; E19-R23 PolarHBondContact OE2-NH1 3.42Å; E19-R23 IonicContact OE2-NH2 3.26Å; E19-R23 PolarHBondContact OE2-NH2 3.32Å |
| 20 | E | 95.5 | Very high | 90.1 | Very high | 85 Ų | 85 | 92.9 Ų | 92.9 | 40% | 0.397 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -46.5 | 175.2 | -178.5 | 61.9 | -131.6 | 0 | 0 | 111.3 | R16 L17 L22 R23 Q24 | R16-E20 VanDerWaalsContact O-CB 3.28Å; R16-E20 WeakPolarHBondContact O-CB 3.29Å; R16-E20 PolarHBondContact O-N 3.25Å; L17-E20 PolarHBondContact O-N 2.7Å; E20-L22 VanDerWaalsContact C-N 3.29Å; E20-L22 PolarHBondContact O-N 2.78Å; E20-R23 PolarHBondContact O-N 3.29Å; E20-Q24 WeakPolarHBondContact O-CG 3.31Å; E20-Q24 PolarHBondContact O-N 3.21Å; E20-Q24 PolarHBondContact OE1-NE2 3.13Å |
| 21 | S | 95.4 | Very high | 88.1 | Confident | 59 Ų | 59 | 92.7 Ų | 92.7 | 41% | 0.413 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56.5 | -45.6 | 175.1 | -172.9 | 0 | 0 | 0 | 0 | 111.2 | L17 R23 Q24 D25 | L17-S21 WeakPolarHBondContact O-CB 3.22Å; L17-S21 PolarHBondContact O-N 3.19Å; S21-R23 PolarHBondContact O-N 2.98Å; S21-Q24 WeakPolarHBondContact O-CB 3.45Å; S21-Q24 PolarHBondContact O-N 2.9Å; S21-D25 VanDerWaalsContact O-CG 3.3Å; S21-D25 PolarHBondContact O-N 3.19Å |
| 22 | L | 95.1 | Very high | 86 | Confident | 90 Ų | 90 | 93.2 Ų | 93.2 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 179 | -176.2 | 63.7 | 0 | 0 | 0 | 111.5 | Q18 E19 E20 Q24 D25 Y26 | Q18-L22 WeakPolarHBondContact O-CB 3.49Å; Q18-L22 PolarHBondContact O-N 2.87Å; E19-L22 PolarHBondContact O-N 3.1Å; E20-L22 VanDerWaalsContact C-N 3.29Å; E20-L22 PolarHBondContact O-N 2.78Å; L22-Q24 VanDerWaalsContact C-N 3.3Å; L22-Q24 PolarHBondContact O-N 3.44Å; L22-D25 PolarHBondContact O-N 3.09Å; L22-Y26 HydrophobicContact CD1-CD2 4.14Å; L22-Y26 HydrophobicContact CD1-CE2 3.55Å; L22-Y26 HydrophobicContact CD2-CE2 4.1Å; L22-Y26 HydrophobicContact CG-CD2 3.95Å; L22-Y26 HydrophobicContact CG-CE2 3.55Å; L22-Y26 WeakPolarHBondContact O-CD2 3.42Å; L22-Y26 PolarHBondContact O-N 2.92Å; L22-Y26 VanDerWaalsContact O-N 3.09Å |
| 23 | R | 94.2 | Very high | 83.7 | Confident | 125 Ų | 125 | 92 Ų | 92 | 47% | 0.472 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.4 | -38.1 | 175 | -74.3 | -175.4 | -173.7 | 102.6 | 2.8 | 112.4 | E19 E20 S21 Y26 A27 | E19-R23 WeakPolarHBondContact O-CG 3.43Å; E19-R23 PolarHBondContact O-N 2.64Å; E19-R23 IonicContact OE1-CZ 3.41Å; E19-R23 IonicContact OE1-NH1 3.52Å; E19-R23 IonicContact OE1-NH2 2.64Å; E19-R23 PolarHBondContact OE1-NH2 2.99Å; E19-R23 IonicContact OE2-CZ 3.29Å; E19-R23 IonicContact OE2-NH1 2.78Å; E19-R23 PolarHBondContact OE2-NH1 3.42Å; E19-R23 IonicContact OE2-NH2 3.26Å; E19-R23 PolarHBondContact OE2-NH2 3.32Å; E20-R23 PolarHBondContact O-N 3.29Å; S21-R23 PolarHBondContact O-N 2.98Å; R23-Y26 PolarHBondContact O-N 3.32Å; R23-A27 WeakPolarHBondContact O-CB 3.37Å; R23-A27 PolarHBondContact O-N 3.46Å |
| 24 | Q | 93.6 | Very high | 81.2 | Confident | 102 Ų | 102 | 91.9 Ų | 91.9 | 48% | 0.477 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66 | -40.9 | 176.4 | -72.5 | 175.7 | 9.1 | 0 | 0 | 112 | E20 S21 L22 Y26 A27 S28 | E20-Q24 WeakPolarHBondContact O-CG 3.31Å; E20-Q24 PolarHBondContact O-N 3.21Å; E20-Q24 PolarHBondContact OE1-NE2 3.13Å; S21-Q24 WeakPolarHBondContact O-CB 3.45Å; S21-Q24 PolarHBondContact O-N 2.9Å; L22-Q24 VanDerWaalsContact C-N 3.3Å; L22-Q24 PolarHBondContact O-N 3.44Å; Q24-Y26 VanDerWaalsContact C-N 3.34Å; Q24-Y26 PolarHBondContact O-N 3.42Å; Q24-A27 PolarHBondContact O-N 2.96Å; Q24-S28 VanDerWaalsContact O-CB 3.22Å; Q24-S28 WeakPolarHBondContact O-CB 3.2Å; Q24-S28 PolarHBondContact O-N 3.48Å; Q24-S28 PolarHBondContact O-OG 3.23Å |
| 25 | D | 91.4 | Very high | 78.9 | Confident | 92 Ų | 92 | 96 Ų | 96 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.9 | -41.2 | 176.1 | -67 | -33.1 | 0 | 0 | 0 | 111.2 | S21 L22 T29 | S21-D25 VanDerWaalsContact O-CG 3.3Å; S21-D25 PolarHBondContact O-N 3.19Å; L22-D25 PolarHBondContact O-N 3.09Å; D25-T29 WeakPolarHBondContact O-CB 3.3Å; D25-T29 WeakPolarHBondContact O-CG2 3.34Å; D25-T29 PolarHBondContact O-N 3.47Å; D25-T29 PolarHBondContact O-OG1 3.49Å |
| 26 | Y | 85.4 | Confident | 76.7 | Confident | 147 Ų | 147 | 100.7 Ų | 100.7 | 58% | 0.576 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.4 | -44.6 | 174.7 | -78.4 | -64.8 | 0 | 0 | 0 | 113.1 | L22 R23 Q24 S28 T29 S30 | L22-Y26 HydrophobicContact CD1-CD2 4.14Å; L22-Y26 HydrophobicContact CD1-CE2 3.55Å; L22-Y26 HydrophobicContact CD2-CE2 4.1Å; L22-Y26 HydrophobicContact CG-CD2 3.95Å; L22-Y26 HydrophobicContact CG-CE2 3.55Å; L22-Y26 WeakPolarHBondContact O-CD2 3.42Å; L22-Y26 PolarHBondContact O-N 2.92Å; L22-Y26 VanDerWaalsContact O-N 3.09Å; R23-Y26 PolarHBondContact O-N 3.32Å; Q24-Y26 VanDerWaalsContact C-N 3.34Å; Q24-Y26 PolarHBondContact O-N 3.42Å; Y26-S28 VanDerWaalsContact C-N 3.35Å; Y26-T29 WeakPolarHBondContact CA-OG1 3.28Å; Y26-T29 PolarHBondContact O-OG1 2.94Å; Y26-S30 WeakPolarHBondContact O-CB 3.22Å; Y26-S30 PolarHBondContact O-N 2.8Å; Y26-S30 PolarHBondContact O-OG 2.9Å |
| 27 | A | 80 | Confident | 74.6 | Confident | 61 Ų | 61 | 96.9 Ų | 96.9 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.3 | -39.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | R23 Q24 S30 A31 | R23-A27 WeakPolarHBondContact O-CB 3.37Å; R23-A27 PolarHBondContact O-N 3.46Å; Q24-A27 PolarHBondContact O-N 2.96Å; A27-S30 PolarHBondContact O-N 3.04Å; A27-A31 VanDerWaalsContact O-CB 3.28Å; A27-A31 WeakPolarHBondContact O-CB 3.45Å; A27-A31 PolarHBondContact O-N 2.91Å |
| 28 | S | 72.1 | Confident | 72.3 | Confident | 78 Ų | 78 | 96.1 Ų | 96.1 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72 | -37.4 | -179 | -57.5 | 0 | 0 | 0 | 0 | 112.7 | Q24 Y26 S32 | Q24-S28 VanDerWaalsContact O-CB 3.22Å; Q24-S28 WeakPolarHBondContact O-CB 3.2Å; Q24-S28 PolarHBondContact O-N 3.48Å; Q24-S28 PolarHBondContact O-OG 3.23Å; Y26-S28 VanDerWaalsContact C-N 3.35Å; S28-S32 PolarHBondContact O-N 3.33Å; S28-S32 PolarHBondContact O-OG 3.2Å |
| 29 | T | 62.6 | Low | 70.1 | Confident | 78 Ų | 78 | 94.1 Ų | 94.1 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -73.3 | -36.3 | 173.1 | 45.9 | 0 | 0 | 0 | 0 | 112.2 | D25 Y26 S32 V33 | D25-T29 WeakPolarHBondContact O-CB 3.3Å; D25-T29 WeakPolarHBondContact O-CG2 3.34Å; D25-T29 PolarHBondContact O-N 3.47Å; D25-T29 PolarHBondContact O-OG1 3.49Å; Y26-T29 WeakPolarHBondContact CA-OG1 3.28Å; Y26-T29 PolarHBondContact O-OG1 2.94Å; T29-S32 WeakPolarHBondContact CA-OG 3.32Å; T29-S32 PolarHBondContact O-N 3.07Å; T29-S32 PolarHBondContact O-OG 3.31Å; T29-V33 WeakPolarHBondContact O-CB 3.48Å; T29-V33 PolarHBondContact O-N 3.1Å |
| 30 | S | 56.2 | Low | 67.9 | Low | 71 Ų | 71 | 96 Ų | 96 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.9 | -37.3 | 175.9 | -59 | 0 | 0 | 0 | 0 | 112 | Y26 A27 S32 S34 | Y26-S30 WeakPolarHBondContact O-CB 3.22Å; Y26-S30 PolarHBondContact O-N 2.8Å; Y26-S30 PolarHBondContact O-OG 2.9Å; A27-S30 PolarHBondContact O-N 3.04Å; S30-S32 VanDerWaalsContact C-N 3.31Å; S30-S32 PolarHBondContact O-N 3.06Å; S30-S34 WeakPolarHBondContact O-CB 3.38Å; S30-S34 PolarHBondContact O-N 3.01Å |
| 31 | A | 56.7 | Low | 65.7 | Low | 42 Ų | 42 | 95.8 Ų | 95.8 | 35% | 0.347 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72 | -21.3 | 175 | 0 | 0 | 0 | 0 | 0 | 113.7 | A27 R35 | A27-A31 VanDerWaalsContact O-CB 3.28Å; A27-A31 WeakPolarHBondContact O-CB 3.45Å; A27-A31 PolarHBondContact O-N 2.91Å; A31-R35 WeakPolarHBondContact O-CD 3.39Å; A31-R35 WeakPolarHBondContact O-CG 3.46Å; A31-R35 PolarHBondContact O-NE 2.78Å; A31-R35 VanDerWaalsContact O-NE 3.1Å |
| 32 | S | 52.4 | Low | 63.6 | Low | 78 Ų | 78 | 101.5 Ų | 101.5 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -89 | -37 | 174 | 42.5 | 0 | 0 | 0 | 0 | 112.5 | S28 T29 S30 | S28-S32 PolarHBondContact O-N 3.33Å; S28-S32 PolarHBondContact O-OG 3.2Å; T29-S32 WeakPolarHBondContact CA-OG 3.32Å; T29-S32 PolarHBondContact O-N 3.07Å; T29-S32 PolarHBondContact O-OG 3.31Å; S30-S32 VanDerWaalsContact C-N 3.31Å; S30-S32 PolarHBondContact O-N 3.06Å |
| 33 | V | 49.4 | Very low | 61.2 | Low | 100 Ų | 100 | 101.9 Ų | 101.9 | 61% | 0.606 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.8 | -34.9 | 173.6 | 162 | 0 | 0 | 0 | 0 | 112.5 | T29 R35 H36 | T29-V33 WeakPolarHBondContact O-CB 3.48Å; T29-V33 PolarHBondContact O-N 3.1Å; V33-R35 PolarHBondContact O-N 3.21Å; V33-H36 PolarHBondContact O-ND1 3.06Å |
| 34 | S | 45.6 | Very low | 59.1 | Low | 74 Ų | 74 | 102 Ų | 102 | 52% | 0.517 | 61% | 0.607 | S | S | . | * | G | 310 helix | trans | -72.6 | -14.9 | 178 | -174.3 | 0 | 0 | 0 | 0 | 113.6 | S30 | S30-S34 WeakPolarHBondContact O-CB 3.38Å; S30-S34 PolarHBondContact O-N 3.01Å |
| 35 | R | 47.6 | Very low | 57 | Low | 176 Ų | 176 | 99.9 Ų | 99.9 | 66% | 0.664 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -89.4 | 2.4 | -177 | -77.3 | 179.8 | -159 | -129.1 | 5.3 | 114.9 | A31 V33 S37 | A31-R35 WeakPolarHBondContact O-CD 3.39Å; A31-R35 WeakPolarHBondContact O-CG 3.46Å; A31-R35 PolarHBondContact O-NE 2.78Å; A31-R35 VanDerWaalsContact O-NE 3.1Å; V33-R35 PolarHBondContact O-N 3.21Å; R35-S37 VanDerWaalsContact C-N 3.31Å |
| 36 | H | 51.8 | Low | 54.9 | Low | 151 Ų | 151 | 105.3 Ų | 105.3 | 70% | 0.699 | 63% | 0.632 | S | S | * | * | G | 310 helix | trans | -89 | 2.1 | 164.9 | 86.9 | -80.2 | 0 | 0 | 0 | 112.9 | V33 | V33-H36 PolarHBondContact O-ND1 3.06Š|
| 37 | S | 53 | Low | 53.1 | Low | 83 Ų | 83 | 108 Ų | 108 | 58% | 0.58 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -146.1 | 46.6 | 178.5 | -43.6 | 0 | 0 | 0 | 0 | 112.7 | R35 | R35-S37 VanDerWaalsContact C-N 3.31Š|
| 38 | S | 47.4 | Very low | 51.3 | Low | 82 Ų | 82 | 107.6 Ų | 107.6 | 57% | 0.573 | 65% | 0.648 | S | S | * | * | | | trans | 164.3 | 91.2 | 154.3 | 43 | 0 | 0 | 0 | 0 | 109.2 | V40 | S38-V40 PolarHBondContact O-N 3.11Å; S38-V40 VanDerWaalsContact O-N 3.13Å |
| 39 | S | 50.3 | Low | 49.7 | Very low | 108 Ų | 108 | 110.9 Ų | 110.9 | 76% | 0.755 | 67% | 0.665 | S | S | * | * | | | trans | -72.4 | 95.1 | 164.7 | 53 | 0 | 0 | 0 | 0 | 109.6 | | |
| 40 | V | 49.7 | Very low | 48.6 | Very low | 134 Ų | 134 | 113.3 Ų | 113.3 | 81% | 0.812 | 68% | 0.684 | S | S | * | * | | | trans | -126.7 | 79.1 | 148.7 | -69.3 | 0 | 0 | 0 | 0 | 108.4 | S38 L42 | S38-V40 PolarHBondContact O-N 3.11Å; S38-V40 VanDerWaalsContact O-N 3.13Å; V40-L42 PolarHBondContact O-N 3.45Å |
| 41 | S | 50.6 | Low | 48 | Very low | 80 Ų | 80 | 115.1 Ų | 115.1 | 56% | 0.559 | 70% | 0.696 | S | S | * | * | | | trans | -71.1 | 108.5 | 167.1 | -62.9 | 0 | 0 | 0 | 0 | 108.4 | S43 | S41-S43 PolarHBondContact O-N 3.07Š|
| 42 | L | 49.5 | Very low | 47.7 | Very low | 180 Ų | 180 | 118.6 Ų | 118.6 | 94% | 0.942 | 71% | 0.709 | S | S | * | * | | | trans | -86.8 | 64.7 | 154.4 | -65.2 | 179.1 | 0 | 0 | 0 | 108.4 | V40 S44 | V40-L42 PolarHBondContact O-N 3.45Å; L42-S44 PolarHBondContact O-N 3.37Å |
| 43 | S | 45.7 | Very low | 47.4 | Very low | 98 Ų | 98 | 124.3 Ų | 124.3 | 69% | 0.685 | 73% | 0.727 | S | S | * | * | | | trans | -81.5 | 105.1 | 156.6 | 53.1 | 0 | 0 | 0 | 0 | 106.9 | S41 G45 | S41-S43 PolarHBondContact O-N 3.07Å; S43-G45 PolarHBondContact O-N 2.89Å |
| 44 | S | 50.1 | Low | 47.1 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 88% | 0.881 | 73% | 0.728 | S | S | * | * | | | trans | -37.4 | 126.1 | 156.6 | 149.8 | 0 | 0 | 0 | 0 | 110.7 | L42 | L42-S44 PolarHBondContact O-N 3.37Š|
| 45 | G | 49 | Very low | 46.9 | Very low | 58 Ų | 58 | 130.5 Ų | 130.5 | 60% | 0.598 | 74% | 0.735 | S | S | * | * | | | trans | 136.2 | 99.6 | 152.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | S43 | S43-G45 PolarHBondContact O-N 2.89Š|
| 46 | K | 46.9 | Very low | 47.2 | Very low | 206 Ų | 206 | 130.4 Ų | 130.4 | 90% | 0.896 | 75% | 0.748 | S | S | * | * | | | trans | 88.8 | 105.4 | 137.8 | -62.4 | 148.3 | 78.9 | 179.6 | 0 | 117.5 | | |
| 47 | K | 47.5 | Very low | 47.1 | Very low | 204 Ų | 204 | 128.2 Ų | 128.2 | 89% | 0.887 | 74% | 0.738 | S | S | * | * | | | trans | 83.4 | 94.4 | 131.4 | -161.9 | 172 | 177.4 | -73 | 0 | 117 | | |
| 48 | G | 42.6 | Very low | 46.5 | Very low | 53 Ų | 53 | 133.8 Ų | 133.8 | 55% | 0.546 | 75% | 0.748 | S | S | . | * | | | trans | -63.1 | 144.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 49 | T | 39 | Very low | 46.8 | Very low | 147 Ų | 147 | 135.9 Ų | 135.9 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | | | | 90.5 | 104.6 | 84.5 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 50 | C | 39.4 | Very low | 47 | Very low | 128 Ų | 128 | 137.6 Ų | 137.6 | 87% | 0.865 | 76% | 0.762 | S | S | * | * | | | trans | -95.5 | 153.5 | 146.2 | 74.5 | 0 | 0 | 0 | 0 | 105.7 | | |
| 51 | S | 43.6 | Very low | 46.9 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | | | cis | -166.6 | 160.7 | -10.3 | -179.7 | 0 | 0 | 0 | 0 | 103.6 | | |
| 52 | D | 50 | Low | 47 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 62% | 0.62 | 77% | 0.773 | S | S | * | * | | | trans | 81.4 | 88.5 | 147.9 | -150.1 | 35.3 | 0 | 0 | 0 | 117.3 | | |
| 53 | Q | 47.2 | Very low | 47 | Very low | 197 Ų | 197 | 140.4 Ų | 140.4 | 92% | 0.921 | 76% | 0.758 | S | S | * | * | | | | -156.8 | 130.3 | 118.9 | -107.4 | 167.9 | 31.9 | 0 | 0 | 110.9 | | |
| 54 | E | 42.1 | Very low | 47.4 | Very low | 132 Ų | 132 | 143.3 Ų | 143.3 | 62% | 0.617 | 76% | 0.761 | S | S | * | * | | | trans | -98.6 | 150.8 | -165.7 | 55.2 | -175.6 | 122.3 | 0 | 0 | 110.3 | | |
| 55 | Y | 42.7 | Very low | 47.9 | Very low | 173 Ų | 173 | 145.4 Ų | 145.4 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | | | trans | 66.9 | 90.1 | 161.7 | -59.7 | -80 | 0 | 0 | 0 | 119.2 | Q57 | Y55-Q57 HydrophobicContact CD1-CB 4.3Š|
| 56 | D | 52.7 | Low | 48 | Very low | 174 Ų | 174 | 150.6 Ų | 150.6 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | | | | -124 | 85.2 | 123 | -152.1 | 14.7 | 0 | 0 | 0 | 107.8 | | |
| 57 | Q | 49.8 | Very low | 48.5 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 49% | 0.491 | 76% | 0.762 | S | S | . | * | | | trans | -72.4 | 142.8 | 175.3 | -161.7 | 173.2 | -73.6 | 0 | 0 | 107.3 | Y55 | Y55-Q57 HydrophobicContact CD1-CB 4.3Š|
| 58 | Y | 41.2 | Very low | 49.1 | Very low | 199 Ų | 199 | 147 Ų | 147 | 78% | 0.78 | 76% | 0.758 | S | S | * | * | | | trans | 95.9 | 70.7 | 175.1 | -50.1 | -72.6 | 0 | 0 | 0 | 117.5 | | |
| 59 | S | 52.4 | Low | 50.3 | Low | 127 Ų | 127 | 150.7 Ų | 150.7 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | | | | -139.4 | 70.8 | 127.5 | -153.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 60 | L | 56 | Low | 51.6 | Low | 143 Ų | 143 | 148.8 Ų | 148.8 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | | | trans | -83.5 | 107.1 | 163.2 | -173.4 | 170.8 | 0 | 0 | 0 | 105.1 | | |
| 61 | E | 46.1 | Very low | 53.1 | Low | 166 Ų | 166 | 148.1 Ų | 148.1 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | | | trans | 163.3 | 136.8 | 147.6 | -89.5 | 174.3 | -172.6 | 0 | 0 | 108.7 | | |
| 62 | D | 52.6 | Low | 54 | Low | 153 Ų | 153 | 148.5 Ų | 148.5 | 82% | 0.818 | 75% | 0.748 | S | S | * | * | | | trans | 95.9 | 63.3 | -174.8 | -133.2 | 49.8 | 0 | 0 | 0 | 115.6 | | |
| 63 | E | 51.1 | Low | 54.8 | Low | 134 Ų | 134 | 151.1 Ų | 151.1 | 63% | 0.626 | 76% | 0.757 | S | S | * | * | | | | 18.2 | 127.9 | 116.5 | -17.2 | -77.4 | 96.8 | 0 | 0 | 117.3 | | |
| 64 | E | 54.1 | Low | 55.4 | Low | 160 Ų | 160 | 147.5 Ų | 147.5 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | 93.5 | 86.1 | 144.2 | -62.8 | 156.5 | -164.2 | 0 | 0 | 119.6 | F66 | E64-F66 PolarHBondContact O-N 3.37Š|
| 65 | E | 60.4 | Low | 56.2 | Low | 170 Ų | 170 | 151.1 Ų | 151.1 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | | 63.4 | 56.7 | 115.3 | -159.1 | -179 | 174.6 | 0 | 0 | 117.5 | | |
| 66 | F | 50.9 | Low | 57 | Low | 167 Ų | 167 | 150.1 Ų | 150.1 | 73% | 0.732 | 76% | 0.764 | S | S | * | * | | | trans | -129 | 4.1 | 166.7 | -100.5 | -85.9 | 0 | 0 | 0 | 117 | E64 | E64-F66 PolarHBondContact O-N 3.37Š|
| 67 | D | 57.9 | Low | 57.1 | Low | 162 Ų | 162 | 147.7 Ų | 147.7 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -95.8 | 15.2 | -178.3 | -85 | -19.2 | 0 | 0 | 0 | 115.1 | | |
| 68 | H | 59.8 | Low | 57.3 | Low | 173 Ų | 173 | 153.1 Ų | 153.1 | 80% | 0.801 | 77% | 0.774 | S | S | * | * | | | trans | -115.7 | 32.2 | 176.4 | -59.1 | -27.8 | 0 | 0 | 0 | 113.6 | | |
| 69 | L | 67.8 | Low | 57.7 | Low | 129 Ų | 129 | 149.8 Ų | 149.8 | 68% | 0.675 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 128.4 | 168.3 | -62.4 | -177.9 | 0 | 0 | 0 | 109.4 | | |
| 70 | P | 66.3 | Low | 57.7 | Low | 107 Ų | 107 | 147.5 Ų | 147.5 | 70% | 0.695 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 144.9 | 172.9 | 24.3 | -32.4 | 0 | 0 | 0 | 109.1 | | |
| 71 | P | 69.4 | Low | 57.7 | Low | 115 Ų | 115 | 146.6 Ų | 146.6 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -51.4 | 135.9 | -178.4 | 19.2 | -31.2 | 0 | 0 | 0 | 110.1 | Q73 | P71-Q73 PolarHBondContact O-N 3.46Å; P71-Q73 VanDerWaalsContact O-N 3.1Å |
| 72 | P | 63.4 | Low | 57.7 | Low | 116 Ų | 116 | 146.4 Ų | 146.4 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 122.4 | -175.7 | 20.4 | -31.1 | 0 | 0 | 0 | 109.7 | | |
| 73 | Q | 66.7 | Low | 57.7 | Low | 172 Ų | 172 | 146.8 Ų | 146.8 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 138.2 | 179.4 | -80.9 | -179.2 | -15.7 | 0 | 0 | 110.4 | P71 R75 | P71-Q73 PolarHBondContact O-N 3.46Å; P71-Q73 VanDerWaalsContact O-N 3.1Å; Q73-R75 PolarHBondContact O-N 3.39Å |
| 74 | P | 59.1 | Low | 57.8 | Low | 121 Ų | 121 | 151.6 Ų | 151.6 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | | | trans | -55.6 | 111 | 177 | -18.3 | 28.1 | 0 | 0 | 0 | 109 | L76 | P74-L76 PolarHBondContact O-N 2.96Š|
| 75 | R | 60.5 | Low | 57.5 | Low | 208 Ų | 208 | 147.7 Ų | 147.7 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | | | trans | -71.5 | 102.6 | 175.7 | -69.3 | -166.8 | 170.4 | 106.2 | -0.1 | 107.6 | Q73 | Q73-R75 PolarHBondContact O-N 3.39Š|
| 76 | L | 57.8 | Low | 57.2 | Low | 151 Ų | 151 | 146.9 Ų | 146.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | | | trans | -52 | 132.5 | 161.4 | -67.8 | 174 | 0 | 0 | 0 | 107.7 | P74 R78 | P74-L76 PolarHBondContact O-N 2.96Å; L76-R78 PolarHBondContact O-N 2.86Å |
| 77 | P | 56 | Low | 57.1 | Low | 124 Ų | 124 | 144.6 Ų | 144.6 | 81% | 0.805 | 78% | 0.775 | S | S | * | * | | | trans | -56.4 | 112 | 176.4 | -20 | 29.9 | 0 | 0 | 0 | 108.4 | C79 | P77-C79 PolarHBondContact O-N 3.21Š|
| 78 | R | 53.2 | Low | 56.5 | Low | 219 Ų | 219 | 144.4 Ų | 144.4 | 83% | 0.826 | 77% | 0.768 | S | S | * | * | | | trans | -59.9 | 108.3 | 168.8 | -74.4 | -176.6 | 173.1 | 110.5 | -3 | 106.5 | L76 S80 | L76-R78 PolarHBondContact O-N 2.86Å; R78-S80 PolarHBondContact O-N 2.95Å |
| 79 | C | 49.5 | Very low | 56 | Low | 129 Ų | 129 | 141.4 Ų | 141.4 | 87% | 0.872 | 77% | 0.766 | S | S | * | * | | | trans | -66.1 | 102.3 | 172.9 | -148 | 0 | 0 | 0 | 0 | 107.5 | P77 | P77-C79 PolarHBondContact O-N 3.21Š|
| 80 | S | 52.1 | Low | 55.3 | Low | 79 Ų | 79 | 140.8 Ų | 140.8 | 55% | 0.552 | 76% | 0.76 | S | S | * | * | | | trans | -62.3 | 126.5 | 169.2 | 158.2 | 0 | 0 | 0 | 0 | 109.2 | R78 F82 | R78-S80 PolarHBondContact O-N 2.95Å; S80-F82 VanDerWaalsContact C-N 3.33Å; S80-F82 PolarHBondContact O-N 3.41Å; S80-F82 VanDerWaalsContact O-N 3.16Å; S80-F82 WeakPolarHBondContact OG-CD2 3.45Å |
| 81 | P | 56 | Low | 54.3 | Low | 123 Ų | 123 | 141.5 Ų | 141.5 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | | | trans | -88.5 | 78.3 | 173.1 | 35.1 | -28.5 | 0 | 0 | 0 | 108.4 | | |
| 82 | F | 46.3 | Very low | 53.2 | Low | 163 Ų | 163 | 144.5 Ų | 144.5 | 72% | 0.715 | 76% | 0.764 | S | S | * | * | | | trans | -117.6 | 102.1 | 164.1 | -83.3 | -76.1 | 0 | 0 | 0 | 110.7 | S80 | S80-F82 VanDerWaalsContact C-N 3.33Å; S80-F82 PolarHBondContact O-N 3.41Å; S80-F82 VanDerWaalsContact O-N 3.16Å; S80-F82 WeakPolarHBondContact OG-CD2 3.45Å |
| 83 | Q | 53.3 | Low | 52.3 | Low | 160 Ų | 160 | 143.6 Ų | 143.6 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | | | trans | 49.9 | 133 | 132.1 | -60.2 | -176.8 | 28.5 | 0 | 0 | 119.3 | | |
| 84 | R | 53.5 | Low | 51.3 | Low | 236 Ų | 236 | 138.9 Ų | 138.9 | 89% | 0.891 | 75% | 0.747 | S | S | * | * | | | trans | 98.5 | 97.1 | 159.5 | -141.4 | -177.8 | -69 | 159.5 | -3.2 | 113.3 | | |
| 85 | G | 48.3 | Very low | 51 | Low | 77 Ų | 77 | 140.3 Ų | 140.3 | 79% | 0.794 | 75% | 0.746 | S | S | * | * | | | trans | -63.8 | 139 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 86 | I | 54.4 | Low | 50.9 | Low | 154 Ų | 154 | 140.6 Ų | 140.6 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | | | trans | -114.2 | 120.1 | 148.7 | -40 | 178.7 | 0 | 0 | 0 | 104 | H88 | I86-H88 PolarHBondContact O-N 2.88Š|
| 87 | P | 48 | Very low | 50.7 | Low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | | | trans | -72.2 | 101.9 | 168.5 | 29 | -27.6 | 0 | 0 | 0 | 106.6 | S89 | P87-S89 PolarHBondContact O-N 3.47Š|
| 88 | H | 45.5 | Very low | 49.9 | Very low | 158 Ų | 158 | 141.5 Ų | 141.5 | 73% | 0.731 | 75% | 0.748 | S | S | * | * | | | trans | -71.4 | 86.9 | 164.9 | -165.6 | 67.5 | 0 | 0 | 0 | 107.2 | I86 Q90 | I86-H88 PolarHBondContact O-N 2.88Å; H88-Q90 VanDerWaalsContact NE2-CG 3.26Å; H88-Q90 WeakPolarHBondContact NE2-CG 3.37Å; H88-Q90 PolarHBondContact O-N 3.39Å |
| 89 | S | 48.7 | Very low | 49.9 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | | | trans | -68.3 | 84.7 | 169.8 | 56.4 | 0 | 0 | 0 | 0 | 108.7 | P87 | P87-S89 PolarHBondContact O-N 3.47Š|
| 90 | Q | 52.8 | Low | 50.1 | Low | 116 Ų | 116 | 148 Ų | 148 | 54% | 0.542 | 76% | 0.755 | S | S | . | * | | | trans | -129.1 | 60.7 | 161 | -69.2 | -79.8 | 17.8 | 0 | 0 | 107.6 | H88 | H88-Q90 VanDerWaalsContact NE2-CG 3.26Å; H88-Q90 WeakPolarHBondContact NE2-CG 3.37Å; H88-Q90 PolarHBondContact O-N 3.39Å |
| 91 | T | 45.3 | Very low | 49.5 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | -108.3 | 92.7 | 152.7 | -51 | 0 | 0 | 0 | 0 | 105.3 | S93 | T91-S93 PolarHBondContact O-N 2.87Š|
| 92 | F | 47 | Very low | 49.2 | Very low | 178 Ų | 178 | 149.3 Ų | 149.3 | 78% | 0.781 | 76% | 0.764 | S | S | * | * | | | trans | -60.3 | 95 | 156.4 | -77.6 | -82.2 | 0 | 0 | 0 | 106.3 | S94 | F92-S94 PolarHBondContact O-N 3.44Š|
| 93 | S | 44.7 | Very low | 49 | Very low | 98 Ų | 98 | 147.5 Ų | 147.5 | 69% | 0.685 | 77% | 0.771 | S | S | * | * | | | trans | -52.5 | 122.2 | 162.7 | -64.3 | 0 | 0 | 0 | 0 | 107.6 | T91 I95 | T91-S93 PolarHBondContact O-N 2.87Å; S93-I95 PolarHBondContact O-N 2.89Å |
| 94 | S | 46.3 | Very low | 48.3 | Very low | 72 Ų | 72 | 145.7 Ų | 145.7 | 50% | 0.503 | 78% | 0.776 | S | S | . | * | | | trans | -42.5 | 120.1 | 176.3 | -170.4 | 0 | 0 | 0 | 0 | 111.9 | F92 R96 | F92-S94 PolarHBondContact O-N 3.44Å; S94-R96 PolarHBondContact O-N 2.84Å |
| 95 | I | 52.3 | Low | 47.4 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 78% | 0.779 | 77% | 0.773 | S | S | * | * | | | trans | -78 | 35 | 175.2 | -45.1 | 155.9 | 0 | 0 | 0 | 110.2 | S93 E97 | S93-I95 PolarHBondContact O-N 2.89Å; I95-E97 PolarHBondContact O-N 3.35Å; I95-E97 VanDerWaalsContact O-N 3.1Å |
| 96 | R | 58.8 | Low | 46.9 | Very low | 213 Ų | 213 | 148.7 Ų | 148.7 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -77.9 | 21.8 | 177.3 | -83.7 | -160.7 | -65.7 | -103.3 | 1.2 | 113.8 | S94 | S94-R96 PolarHBondContact O-N 2.84Š|
| 97 | E | 52.6 | Low | 46.3 | Very low | 178 Ų | 178 | 150 Ų | 150 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | | | trans | -153 | 58.6 | -175.3 | -145.5 | 102.7 | -135.3 | 0 | 0 | 114.4 | I95 | I95-E97 PolarHBondContact O-N 3.35Å; I95-E97 VanDerWaalsContact O-N 3.1Å |
| 98 | C | 40.1 | Very low | 46.2 | Very low | 116 Ų | 116 | 149.7 Ų | 149.7 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | | | trans | -130.2 | 39.3 | 163.1 | -75.5 | 0 | 0 | 0 | 0 | 112.5 | | |
| 99 | R | 53 | Low | 46.2 | Very low | 249 Ų | 249 | 147.6 Ų | 147.6 | 94% | 0.94 | 77% | 0.774 | S | S | * | * | | | trans | -107.3 | 47.8 | 168.6 | -89.2 | -86.7 | -167.4 | -171.2 | 0.6 | 110.9 | | |
| 100 | R | 54 | Low | 45.5 | Very low | 237 Ų | 237 | 149.3 Ų | 149.3 | 89% | 0.894 | 77% | 0.774 | S | S | * | * | | | trans | -151.6 | 80.9 | 170.3 | -140.7 | 178.3 | -120.3 | -118.8 | 3.2 | 111.7 | | |
| 101 | S | 38 | Very low | 44.6 | Very low | 118 Ų | 118 | 149.5 Ų | 149.5 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | | | trans | -107.1 | 121 | 156.7 | -60 | 0 | 0 | 0 | 0 | 108.2 | | |
| 102 | P | 50.1 | Low | 44.3 | Very low | 110 Ų | 110 | 153.2 Ų | 153.2 | 71% | 0.714 | 78% | 0.781 | S | S | * | * | | | trans | -85 | 158.7 | 167.5 | 34.8 | -29 | 0 | 0 | 0 | 110.1 | | |
| 103 | S | 42.3 | Very low | 43.9 | Very low | 125 Ų | 125 | 152.7 Ų | 152.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | 76.8 | 123.5 | -177.1 | 78.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 104 | S | 37.9 | Very low | 43.5 | Very low | 122 Ų | 122 | 156 Ų | 156 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | | | cis | -136.1 | 140.7 | 48.3 | -167 | 0 | 0 | 0 | 0 | 113 | | |
| 105 | Q | 35.8 | Very low | 43 | Very low | 176 Ų | 176 | 158.5 Ų | 158.5 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | | | trans | -71.4 | 147.2 | 176.6 | -62.5 | 178.4 | -14 | 0 | 0 | 111.2 | | |
| 106 | Y | 36.7 | Very low | 42 | Very low | 200 Ų | 200 | 160.3 Ų | 160.3 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | | | trans | 12.3 | 133.4 | 141.8 | -92.7 | -107.2 | 0 | 0 | 0 | 119 | | |
| 107 | F | 42.8 | Very low | 41 | Very low | 183 Ų | 183 | 159.2 Ų | 159.2 | 80% | 0.803 | 79% | 0.792 | S | S | * | * | | | | 175.8 | 165.1 | 110.1 | -94.5 | -58 | 0 | 0 | 0 | 112.5 | | |
| 108 | P | 46 | Very low | 40.1 | Very low | 111 Ų | 111 | 162.1 Ų | 162.1 | 72% | 0.721 | 80% | 0.797 | S | S | * | * | | | | -116 | 177 | -119.9 | 42.7 | -30.6 | 0 | 0 | 0 | 115.2 | | |
| 109 | S | 45 | Very low | 39.8 | Very low | 115 Ų | 115 | 161.8 Ų | 161.8 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | | | trans | -50.4 | 130.8 | 166.9 | -49.9 | 0 | 0 | 0 | 0 | 113.9 | | |
| 110 | N | 32.9 | Very low | 39.3 | Very low | 144 Ų | 144 | 156 Ų | 156 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | | | trans | -161.4 | 112.1 | 152 | -111.6 | -0.1 | 0 | 0 | 0 | 108.3 | | |
| 111 | N | 35.1 | Very low | 38.3 | Very low | 120 Ų | 120 | 154 Ų | 154 | 64% | 0.642 | 79% | 0.791 | S | S | * | * | | | | 94.1 | 109.1 | 92.8 | -97.8 | -97 | 0 | 0 | 0 | 112.8 | | |
| 112 | Y | 39.7 | Very low | 38.2 | Very low | 201 Ų | 201 | 152.9 Ų | 152.9 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | | | trans | 48 | 135.8 | 139.8 | -65.4 | -94.2 | 0 | 0 | 0 | 124 | | |
| 113 | Q | 37.7 | Very low | 37.6 | Very low | 167 Ų | 167 | 156.4 Ų | 156.4 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | | | trans | 83.4 | 122.4 | 146.4 | -56.5 | -120.8 | -42.6 | 0 | 0 | 119.2 | | |
| 114 | Q | 36 | Very low | 37.4 | Very low | 167 Ų | 167 | 156 Ų | 156 | 78% | 0.78 | 79% | 0.788 | S | S | * | * | | | trans | 151.8 | 85.8 | 136.6 | -77.1 | -79 | 62.8 | 0 | 0 | 107.8 | | |
| 115 | Q | 35.2 | Very low | 37.5 | Very low | 124 Ų | 124 | 156.4 Ų | 156.4 | 58% | 0.579 | 79% | 0.788 | S | S | * | * | | | | 49.4 | 96.4 | 96.9 | -70.2 | -85.3 | 31.8 | 0 | 0 | 112.8 | | |
| 116 | Q | 33 | Very low | 37.6 | Very low | 190 Ų | 190 | 155.4 Ų | 155.4 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | | | trans | -139.9 | 113.1 | 142.2 | -79.1 | -56.4 | -69.1 | 0 | 0 | 108.8 | | |
| 117 | Y | 36.4 | Very low | 38.2 | Very low | 191 Ų | 191 | 154.2 Ų | 154.2 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | | | trans | -54.3 | 135.9 | 172.5 | -86.5 | -116.5 | 0 | 0 | 0 | 111.9 | | |
| 118 | Y | 33.5 | Very low | 38.1 | Very low | 239 Ų | 239 | 152.9 Ų | 152.9 | 94% | 0.937 | 79% | 0.786 | S | S | * | * | | | trans | -153.9 | 138.7 | 138.4 | -106.7 | -79.5 | 0 | 0 | 0 | 110.8 | | |
| 119 | S | 34.3 | Very low | 38.1 | Very low | 109 Ų | 109 | 153.3 Ų | 153.3 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -52.8 | 152.6 | -161.6 | -156.6 | 0 | 0 | 0 | 0 | 119 | | |
| 120 | P | 42.5 | Very low | 38.1 | Very low | 126 Ų | 126 | 154.1 Ų | 154.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | | | trans | -90.6 | 124.5 | 167.7 | 33.8 | -25.5 | 0 | 0 | 0 | 111 | | |
| 121 | Q | 33.7 | Very low | 39.2 | Very low | 196 Ų | 196 | 157.6 Ų | 157.6 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | | | trans | -115.2 | 120.5 | 164 | -158.8 | 175.3 | -12.5 | 0 | 0 | 109.5 | | |
| 122 | A | 36.5 | Very low | 40.2 | Very low | 94 Ų | 94 | 157.4 Ų | 157.4 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | | | trans | -65 | 134 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | | |
| 123 | Q | 37.3 | Very low | 41.2 | Very low | 184 Ų | 184 | 152.5 Ų | 152.5 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | | | trans | -133.6 | 106.6 | 150.7 | -80.7 | -173.8 | -6 | 0 | 0 | 108.7 | | |
| 124 | T | 36.5 | Very low | 42.6 | Very low | 117 Ų | 117 | 146.5 Ų | 146.5 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | | | trans | 31.1 | 121.1 | 146.5 | 55.9 | 0 | 0 | 0 | 0 | 119.1 | D126 | T124-D126 PolarHBondContact O-N 3.06Š|
| 125 | P | 40.9 | Very low | 44.2 | Very low | 131 Ų | 131 | 143 Ų | 143 | 85% | 0.851 | 75% | 0.747 | S | S | * | * | | | trans | -83.3 | 98.6 | 168 | 33.2 | -25.9 | 0 | 0 | 0 | 109 | | |
| 126 | D | 38.6 | Very low | 45.8 | Very low | 155 Ų | 155 | 144.1 Ų | 144.1 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | | | trans | -111 | 121.9 | 158.4 | -103.2 | -38.9 | 0 | 0 | 0 | 109.9 | T124 Q128 | T124-D126 PolarHBondContact O-N 3.06Å; D126-Q128 PolarHBondContact O-N 3.36Å |
| 127 | Q | 48.3 | Very low | 48 | Very low | 175 Ų | 175 | 139.5 Ų | 139.5 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | | | trans | -62.6 | 113.5 | -173.2 | -66.1 | 174.5 | 72.5 | 0 | 0 | 111.4 | | |
| 128 | Q | 40.9 | Very low | 50 | Low | 155 Ų | 155 | 137.6 Ų | 137.6 | 72% | 0.724 | 72% | 0.722 | S | S | * | * | | | trans | -146.1 | 115 | 152.4 | -85.1 | -58.3 | -60.3 | 0 | 0 | 110 | D126 N130 | D126-Q128 PolarHBondContact O-N 3.36Å; Q128-N130 VanDerWaalsContact C-N 3.33Å; Q128-N130 PolarHBondContact O-N 2.96Å |
| 129 | P | 45.9 | Very low | 52.1 | Low | 119 Ų | 119 | 136.6 Ų | 136.6 | 77% | 0.773 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -86.9 | 60.3 | -172.6 | 36.7 | -35.4 | 0 | 0 | 0 | 111.5 | | |
| 130 | N | 46 | Very low | 54.2 | Low | 132 Ų | 132 | 135.3 Ų | 135.3 | 71% | 0.706 | 71% | 0.708 | S | S | * | * | | | trans | -170.3 | 48.5 | 169.7 | -133.3 | -50.7 | 0 | 0 | 0 | 117 | Q128 | Q128-N130 VanDerWaalsContact C-N 3.33Å; Q128-N130 PolarHBondContact O-N 2.96Å |
| 131 | R | 54.8 | Low | 55.7 | Low | 217 Ų | 217 | 133.7 Ų | 133.7 | 82% | 0.819 | 69% | 0.69 | S | S | * | * | | | trans | -126.8 | 6.4 | -179.7 | -67.6 | -167.1 | 174.9 | -168.5 | 0.7 | 117.3 | | |
| 132 | T | 56.9 | Low | 57.4 | Low | 116 Ų | 116 | 128.3 Ų | 128.3 | 71% | 0.712 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -87.5 | -5.3 | -177.9 | 45 | 0 | 0 | 0 | 0 | 115.2 | | |
| 133 | N | 60.6 | Low | 58.7 | Low | 98 Ų | 98 | 130.5 Ų | 130.5 | 52% | 0.524 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -88.7 | -18.1 | -178.6 | -88.4 | -57.9 | 0 | 0 | 0 | 114.7 | L137 | N133-L137 PolarHBondContact O-N 3.48Å; N133-L137 VanDerWaalsContact O-N 3.13Å |
| 134 | G | 66.9 | Low | 60.2 | Low | 42 Ų | 42 | 126.2 Ų | 126.2 | 43% | 0.433 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -61.3 | -53.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K136 L137 R138 | G134-K136 VanDerWaalsContact C-N 3.33Å; G134-K136 PolarHBondContact O-N 2.75Å; G134-L137 WeakPolarHBondContact O-CB 3.48Å; G134-L137 PolarHBondContact O-N 2.63Å; G134-R138 WeakPolarHBondContact O-CG 3.31Å; G134-R138 PolarHBondContact O-N 2.81Å |
| 135 | D | 68.8 | Low | 61.5 | Low | 92 Ų | 92 | 122.5 Ų | 122.5 | 49% | 0.492 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.2 | -28.5 | -173.8 | -62.2 | -49 | 0 | 0 | 0 | 114 | R138 R139 | D135-R138 PolarHBondContact O-N 3.3Å; D135-R138 IonicContact OD1-NH1 3.46Å; D135-R138 PolarHBondContact OD1-NH1 3.13Å; D135-R139 WeakPolarHBondContact O-CG 3.29Å; D135-R139 PolarHBondContact O-N 2.98Å |
| 136 | K | 70 | Confident | 62.5 | Low | 149 Ų | 149 | 126.5 Ų | 126.5 | 65% | 0.648 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -68.9 | -43.9 | 172.4 | -69.6 | -179.2 | 174 | -177.1 | 0 | 111 | G134 R138 R139 S140 | G134-K136 VanDerWaalsContact C-N 3.33Å; G134-K136 PolarHBondContact O-N 2.75Å; K136-R138 VanDerWaalsContact C-N 3.29Å; K136-R138 PolarHBondContact O-N 2.87Å; K136-R139 PolarHBondContact O-N 3.36Å; K136-S140 PolarHBondContact O-N 3.43Å; K136-S140 PolarHBondContact O-OG 3.24Å; K136-S140 VanDerWaalsContact O-OG 3.13Å |
| 137 | L | 78.7 | Confident | 63.3 | Low | 92 Ų | 92 | 126 Ų | 126 | 48% | 0.482 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.6 | -38.5 | 174.1 | -118.9 | 87.5 | 0 | 0 | 0 | 111.8 | N133 G134 R139 S140 M141 | N133-L137 PolarHBondContact O-N 3.48Å; N133-L137 VanDerWaalsContact O-N 3.13Å; G134-L137 WeakPolarHBondContact O-CB 3.48Å; G134-L137 PolarHBondContact O-N 2.63Å; L137-R139 PolarHBondContact O-N 3.44Å; L137-S140 PolarHBondContact O-N 3.19Å; L137-M141 CarbonylContact O-C 3.52Å; L137-M141 WeakPolarHBondContact O-CA 3.36Å; L137-M141 WeakPolarHBondContact O-CB 3.48Å; L137-M141 PolarHBondContact O-N 3.35Å |
| 138 | R | 79.1 | Confident | 63.5 | Low | 151 Ų | 151 | 123 Ų | 123 | 57% | 0.57 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -62.9 | -32.1 | 177 | -64.1 | 171.9 | 72.2 | -163 | 4.2 | 113.3 | G134 D135 K136 A145 | G134-R138 WeakPolarHBondContact O-CG 3.31Å; G134-R138 PolarHBondContact O-N 2.81Å; D135-R138 PolarHBondContact O-N 3.3Å; D135-R138 IonicContact OD1-NH1 3.46Å; D135-R138 PolarHBondContact OD1-NH1 3.13Å; K136-R138 VanDerWaalsContact C-N 3.29Å; K136-R138 PolarHBondContact O-N 2.87Å; R138-A145 VanDerWaalsContact CA-CB 3.49Å; R138-A145 HydrophobicContact CB-CB 3.75Å; R138-A145 HydrophobicContact CG-CB 3.48Å; R138-A145 VanDerWaalsContact CG-CB 3.48Å |
| 139 | R | 77.1 | Confident | 64.1 | Low | 219 Ų | 219 | 121.2 Ų | 121.2 | 83% | 0.826 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -83.1 | -38.4 | 177.6 | -68.2 | 174.8 | -174.7 | -89.4 | 2.1 | 112.8 | D135 K136 L137 | D135-R139 WeakPolarHBondContact O-CG 3.29Å; D135-R139 PolarHBondContact O-N 2.98Å; K136-R139 PolarHBondContact O-N 3.36Å; L137-R139 PolarHBondContact O-N 3.44Å |
| 140 | S | 77.4 | Confident | 64.1 | Low | 81 Ų | 81 | 121.8 Ų | 121.8 | 57% | 0.566 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -84.6 | -29.1 | -178.5 | 61.3 | 0 | 0 | 0 | 0 | 113.8 | K136 L137 | K136-S140 PolarHBondContact O-N 3.43Å; K136-S140 PolarHBondContact O-OG 3.24Å; K136-S140 VanDerWaalsContact O-OG 3.13Å; L137-S140 PolarHBondContact O-N 3.19Å |
| 141 | M | 74.1 | Confident | 63.8 | Low | 92 Ų | 92 | 121.4 Ų | 121.4 | 45% | 0.453 | 63% | 0.632 | S | S | . | * | | | trans | -130.9 | 69.3 | -175.1 | -62.4 | -64.2 | -82 | 0 | 0 | 110.6 | L137 N143 L144 A145 | L137-M141 CarbonylContact O-C 3.52Å; L137-M141 WeakPolarHBondContact O-CA 3.36Å; L137-M141 WeakPolarHBondContact O-CB 3.48Å; L137-M141 PolarHBondContact O-N 3.35Å; M141-N143 PolarHBondContact O-N 3.49Å; M141-L144 HydrophobicContact CB-CB 4.31Å; M141-L144 HydrophobicContact CE-CD1 4.1Å; M141-L144 HydrophobicContact CE-CD2 4.22Å; M141-L144 PolarHBondContact O-N 2.93Å; M141-L144 VanDerWaalsContact O-N 3.07Å; M141-A145 PolarHBondContact O-N 3.28Å |
| 142 | P | 71.2 | Confident | 63.4 | Low | 84 Ų | 84 | 115.6 Ų | 115.6 | 55% | 0.545 | 63% | 0.63 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.8 | -23.4 | -175.2 | 23.2 | -34.1 | 0 | 0 | 0 | 113.8 | | |
| 143 | N | 63.3 | Low | 62.6 | Low | 140 Ų | 140 | 117.6 Ų | 117.6 | 75% | 0.749 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | -32.9 | 178.3 | -64.1 | -41.1 | 0 | 0 | 0 | 113.2 | M141 | M141-N143 PolarHBondContact O-N 3.49Š|
| 144 | L | 67.7 | Low | 61.4 | Low | 93 Ų | 93 | 117.9 Ų | 117.9 | 49% | 0.487 | 65% | 0.645 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.3 | -33.3 | -176.8 | -82.1 | 62.3 | 0 | 0 | 0 | 111.2 | M141 R146 M147 | M141-L144 HydrophobicContact CB-CB 4.31Å; M141-L144 HydrophobicContact CE-CD1 4.1Å; M141-L144 HydrophobicContact CE-CD2 4.22Å; M141-L144 PolarHBondContact O-N 2.93Å; M141-L144 VanDerWaalsContact O-N 3.07Å; L144-R146 PolarHBondContact O-N 3.26Å; L144-M147 PolarHBondContact O-N 3.02Å |
| 145 | A | 64.5 | Low | 60.3 | Low | 39 Ų | 39 | 120.4 Ų | 120.4 | 32% | 0.322 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.9 | -13.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | R138 M141 M147 | R138-A145 VanDerWaalsContact CA-CB 3.49Å; R138-A145 HydrophobicContact CB-CB 3.75Å; R138-A145 HydrophobicContact CG-CB 3.48Å; R138-A145 VanDerWaalsContact CG-CB 3.48Å; M141-A145 PolarHBondContact O-N 3.28Å; A145-M147 VanDerWaalsContact C-N 3.32Å |
| 146 | R | 62.8 | Low | 58.7 | Low | 216 Ų | 216 | 123.1 Ų | 123.1 | 82% | 0.815 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -12.2 | 175.8 | -171 | 174.1 | -95.8 | 160.1 | -7.8 | 112.2 | L144 | L144-R146 PolarHBondContact O-N 3.26Š|
| 147 | M | 54.5 | Low | 57.8 | Low | 144 Ų | 144 | 124.5 Ų | 124.5 | 71% | 0.709 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -65.4 | 125.5 | 170.3 | -89.7 | 168.5 | 56.6 | 0 | 0 | 109.3 | L144 A145 S149 | L144-M147 PolarHBondContact O-N 3.02Å; A145-M147 VanDerWaalsContact C-N 3.32Å; M147-S149 PolarHBondContact O-N 3.18Å |
| 148 | P | 53.2 | Low | 56 | Low | 112 Ų | 112 | 125.7 Ų | 125.7 | 73% | 0.727 | 70% | 0.699 | S | S | * | * | | | trans | -61.2 | 114.1 | 180 | 24.6 | -31.4 | 0 | 0 | 0 | 108.5 | T150 | P148-T150 PolarHBondContact O-N 3Š|
| 149 | S | 52.5 | Low | 54.1 | Low | 117 Ų | 117 | 123 Ų | 123 | 82% | 0.818 | 70% | 0.703 | S | S | * | * | | | trans | -69.3 | 98.2 | 172.3 | -57.6 | 0 | 0 | 0 | 0 | 107.5 | M147 T151 | M147-S149 PolarHBondContact O-N 3.18Å; S149-T151 PolarHBondContact O-N 2.88Å |
| 150 | T | 46.5 | Very low | 52.7 | Low | 131 Ų | 131 | 117.8 Ų | 117.8 | 80% | 0.804 | 70% | 0.697 | S | S | * | * | | | trans | -72.6 | 112.9 | 174.8 | 50.2 | 0 | 0 | 0 | 0 | 109 | P148 | P148-T150 PolarHBondContact O-N 3Š|
| 151 | T | 39.6 | Very low | 51 | Low | 124 Ų | 124 | 120.3 Ų | 120.3 | 76% | 0.761 | 71% | 0.709 | S | S | * | * | | | trans | -43.2 | 132.7 | 170.5 | -53 | 0 | 0 | 0 | 0 | 111.9 | S149 I153 | S149-T151 PolarHBondContact O-N 2.88Å; T151-I153 PolarHBondContact O-N 3.01Å |
| 152 | A | 45.3 | Very low | 50 | Low | 95 Ų | 95 | 121.4 Ų | 121.4 | 79% | 0.785 | 72% | 0.721 | S | S | * | * | | | trans | -53.5 | 120.1 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 153 | I | 40.3 | Very low | 48.5 | Very low | 158 Ų | 158 | 124 Ų | 124 | 81% | 0.81 | 74% | 0.735 | S | S | * | * | | | trans | -151 | 125 | 152.9 | 7.6 | 175 | 0 | 0 | 0 | 109.6 | T151 | T151-I153 PolarHBondContact O-N 3.01Š|
| 154 | S | 35.1 | Very low | 47.8 | Very low | 105 Ų | 105 | 128.5 Ų | 128.5 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | | | trans | 65 | 116.1 | 159 | -157.9 | 0 | 0 | 0 | 0 | 118.5 | N156 | S154-N156 PolarHBondContact O-N 3.41Š|
| 155 | S | 44.4 | Very low | 46.8 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | | | trans | -26.1 | 129.3 | 146 | 44.4 | 0 | 0 | 0 | 0 | 112.5 | | |
| 156 | N | 35.6 | Very low | 45.8 | Very low | 150 Ų | 150 | 132.8 Ų | 132.8 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | | -178.1 | 132.7 | 127.8 | -76.8 | -14 | 0 | 0 | 0 | 109.8 | S154 S158 | S154-N156 PolarHBondContact O-N 3.41Å; N156-S158 PolarHBondContact O-N 2.8Å |
| 157 | I | 51.5 | Low | 45.3 | Very low | 177 Ų | 177 | 131 Ų | 131 | 91% | 0.908 | 77% | 0.767 | S | S | * | * | | | trans | -22.8 | 110.2 | 173.6 | -59.8 | 159.8 | 0 | 0 | 0 | 114.2 | | |
| 158 | S | 40.2 | Very low | 44.7 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | | | trans | -156.9 | 121.1 | 145.7 | -139.6 | 0 | 0 | 0 | 0 | 111.1 | N156 | N156-S158 PolarHBondContact O-N 2.8Š|
| 159 | S | 39.5 | Very low | 44.6 | Very low | 93 Ų | 93 | 133.6 Ų | 133.6 | 65% | 0.65 | 78% | 0.776 | S | S | * | * | | | trans | -60.6 | 138.6 | -177.5 | -177.3 | 0 | 0 | 0 | 0 | 112.5 | V161 | S159-V161 PolarHBondContact O-N 3.47Š|
| 160 | P | 47.2 | Very low | 44.1 | Very low | 110 Ų | 110 | 135.1 Ų | 135.1 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | | | trans | -75.5 | 94 | 163.2 | 31 | -29.7 | 0 | 0 | 0 | 108.7 | T162 | P160-T162 PolarHBondContact O-N 2.9Š|
| 161 | V | 42.7 | Very low | 44.1 | Very low | 135 Ų | 135 | 133.5 Ų | 133.5 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | | | trans | -59 | 102.8 | 163 | 173.7 | 0 | 0 | 0 | 0 | 107.5 | S159 | S159-V161 PolarHBondContact O-N 3.47Š|
| 162 | T | 52.5 | Low | 44.4 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | -98.7 | 146.1 | 164.8 | 31.7 | 0 | 0 | 0 | 0 | 108.4 | P160 | P160-T162 PolarHBondContact O-N 2.9Š|
| 163 | V | 40.6 | Very low | 44.8 | Very low | 139 Ų | 139 | 135.1 Ų | 135.1 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | 78.5 | 76 | 172.1 | -51.6 | 0 | 0 | 0 | 0 | 118.5 | N165 | V163-N165 VanDerWaalsContact C-N 3.35Å; V163-N165 PolarHBondContact O-N 3.35Å |
| 164 | R | 48.4 | Very low | 44.8 | Very low | 233 Ų | 233 | 135.8 Ų | 135.8 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | | | trans | -67.7 | 92.8 | 151.8 | 179.5 | 177.7 | 165.5 | -170.6 | -4.1 | 108.8 | | |
| 165 | N | 45.8 | Very low | 45.2 | Very low | 139 Ų | 139 | 134 Ų | 134 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | | | trans | -67.3 | 139.1 | 166.3 | -173.5 | 5.3 | 0 | 0 | 0 | 110 | V163 | V163-N165 VanDerWaalsContact C-N 3.35Å; V163-N165 PolarHBondContact O-N 3.35Å |
| 166 | S | 44.1 | Very low | 45.1 | Very low | 83 Ų | 83 | 134.7 Ų | 134.7 | 58% | 0.58 | 78% | 0.777 | S | S | * | * | | | trans | 66.4 | 116 | 159.8 | 47.6 | 0 | 0 | 0 | 0 | 121.1 | | |
| 167 | Q | 51.1 | Low | 45.9 | Very low | 179 Ų | 179 | 130.7 Ų | 130.7 | 84% | 0.836 | 77% | 0.771 | S | S | * | * | | | | 55.1 | 106.9 | 122.1 | -58.4 | -107.2 | 44.8 | 0 | 0 | 119.1 | | |
| 168 | S | 42.6 | Very low | 46 | Very low | 98 Ų | 98 | 130.6 Ų | 130.6 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | trans | -155.7 | 105.2 | 133.6 | 48.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 169 | F | 50.7 | Low | 46.3 | Very low | 213 Ų | 213 | 128.1 Ų | 128.1 | 93% | 0.934 | 77% | 0.765 | S | S | * | * | | | trans | -75.2 | 101.2 | 137.8 | -89.9 | -88.1 | 0 | 0 | 0 | 105.7 | | |
| 170 | D | 42.8 | Very low | 46.4 | Very low | 148 Ų | 148 | 132.4 Ų | 132.4 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | | | trans | -140.8 | 136.9 | 147.7 | -152.3 | -40 | 0 | 0 | 0 | 108 | | |
| 171 | S | 45.4 | Very low | 46.5 | Very low | 98 Ų | 98 | 132.2 Ų | 132.2 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | | | trans | -85.6 | 152.1 | -172.9 | -58 | 0 | 0 | 0 | 0 | 110 | | |
| 172 | S | 46 | Very low | 47 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | | | | 142.2 | 127.9 | 118.9 | 68.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 173 | L | 54 | Low | 46.8 | Very low | 142 Ų | 142 | 138.2 Ų | 138.2 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | 38.6 | 99.8 | 132.9 | -163.4 | 72.1 | 0 | 0 | 0 | 117.8 | | |
| 174 | H | 40.5 | Very low | 47.1 | Very low | 171 Ų | 171 | 138.9 Ų | 138.9 | 79% | 0.792 | 78% | 0.781 | S | S | * | * | | | | 177.1 | 134.8 | 112.7 | -104.1 | -64.1 | 0 | 0 | 0 | 111 | | |
| 175 | G | 44.1 | Very low | 47.2 | Very low | 69 Ų | 69 | 132.4 Ų | 132.4 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | | | trans | 78.7 | 120.6 | 130.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 176 | A | 41.3 | Very low | 47.6 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 89% | 0.893 | 78% | 0.776 | S | S | * | * | | | trans | 73.5 | 101.2 | 150.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 177 | G | 52.3 | Low | 48.8 | Very low | 66 Ų | 66 | 134.3 Ų | 134.3 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | | | | 93 | 108.7 | 117.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 178 | N | 53.5 | Low | 48.9 | Very low | 174 Ų | 174 | 130.9 Ų | 130.9 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | | | trans | 72.4 | 87.6 | 144.7 | -55.6 | -2.6 | 0 | 0 | 0 | 116.9 | | |
| 179 | G | 47 | Very low | 49.6 | Very low | 66 Ų | 66 | 130.7 Ų | 130.7 | 68% | 0.68 | 77% | 0.773 | S | S | * | * | | | trans | -155.2 | 84.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 180 | I | 42.7 | Very low | 49.9 | Very low | 183 Ų | 183 | 126.5 Ų | 126.5 | 94% | 0.938 | 77% | 0.768 | S | S | * | * | | | trans | 23.7 | 101 | 153.2 | 14.3 | 173.3 | 0 | 0 | 0 | 116.9 | | |
| 181 | S | 48.8 | Very low | 50.6 | Low | 106 Ų | 106 | 122.4 Ų | 122.4 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | | | trans | -76.2 | 152 | 176.1 | -140.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 182 | R | 51.9 | Low | 51 | Low | 203 Ų | 203 | 125.2 Ų | 125.2 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | | | trans | 80.6 | 83.1 | 157.5 | -58.3 | -158.3 | -63.4 | -95.7 | 2.9 | 119.1 | | |
| 183 | I | 48.3 | Very low | 51.4 | Low | 174 Ų | 174 | 125.9 Ų | 125.9 | 89% | 0.892 | 76% | 0.757 | S | S | * | * | | | trans | -84.4 | 104.8 | 137.3 | -32.2 | 176.8 | 0 | 0 | 0 | 105.7 | S185 | I183-S185 PolarHBondContact O-N 3.2Å; I183-S185 VanDerWaalsContact O-N 3.13Å |
| 184 | Q | 47.5 | Very low | 51.6 | Low | 153 Ų | 153 | 126 Ų | 126 | 72% | 0.715 | 75% | 0.753 | S | S | * | * | | | trans | -56.6 | 113.4 | 175.9 | -73.5 | -96.5 | 74.2 | 0 | 0 | 109 | C186 | Q184-C186 PolarHBondContact O-N 3.13Š|
| 185 | S | 50.8 | Low | 52 | Low | 97 Ų | 97 | 125.9 Ų | 125.9 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | | | trans | -71.3 | 110.5 | 176.6 | 50.8 | 0 | 0 | 0 | 0 | 109.8 | I183 I187 | I183-S185 PolarHBondContact O-N 3.2Å; I183-S185 VanDerWaalsContact O-N 3.13Å; S185-I187 PolarHBondContact O-N 2.93Å |
| 186 | C | 53.8 | Low | 52.5 | Low | 124 Ų | 124 | 132.8 Ų | 132.8 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | trans | -78.2 | 41.8 | 175.7 | -43.6 | 0 | 0 | 0 | 0 | 112.1 | Q184 P188 | Q184-C186 PolarHBondContact O-N 3.13Å; C186-P188 WeakPolarHBondContact O-CD 3.21Å |
| 187 | I | 69.1 | Low | 53.1 | Low | 138 Ų | 138 | 133.1 Ų | 133.1 | 71% | 0.708 | 75% | 0.748 | S | S | * | * | | | trans | -95.1 | 108.9 | -178.8 | -56.5 | 176.1 | 0 | 0 | 0 | 107.5 | S185 | S185-I187 PolarHBondContact O-N 2.93Š|
| 188 | P | 54.5 | Low | 53.3 | Low | 107 Ų | 107 | 137 Ų | 137 | 70% | 0.695 | 75% | 0.748 | S | S | * | * | | | trans | -65.3 | 137.6 | 175.1 | 26.9 | -31.8 | 0 | 0 | 0 | 109.5 | C186 | C186-P188 WeakPolarHBondContact O-CD 3.21Š|
| 189 | S | 55.5 | Low | 53.4 | Low | 93 Ų | 93 | 134.4 Ų | 134.4 | 65% | 0.65 | 74% | 0.744 | S | S | * | * | | | trans | -60.2 | 147.3 | -174.4 | -53.1 | 0 | 0 | 0 | 0 | 112.1 | G191 | S189-G191 PolarHBondContact O-N 3.05Š|
| 190 | P | 58.7 | Low | 53.7 | Low | 126 Ų | 126 | 138.3 Ų | 138.3 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -57.1 | -4.8 | -171.1 | -27.2 | 34.9 | 0 | 0 | 0 | 117.9 | | |
| 191 | G | 56.5 | Low | 54.1 | Low | 61 Ų | 61 | 132.7 Ų | 132.7 | 63% | 0.629 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -83.9 | -10.9 | -175 | 0 | 0 | 0 | 0 | 0 | 116.7 | S189 | S189-G191 PolarHBondContact O-N 3.05Š|
| 192 | Q | 53.6 | Low | 54.2 | Low | 157 Ų | 157 | 136.5 Ų | 136.5 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -89.4 | -0.9 | -169.8 | -72 | -77.8 | -6.2 | 0 | 0 | 115 | | |
| 193 | L | 55.3 | Low | 54.1 | Low | 126 Ų | 126 | 135.4 Ų | 135.4 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | G | 310 helix | trans | -90.7 | -8.6 | -173.7 | -67.3 | 173.2 | 0 | 0 | 0 | 114.7 | H195 | L193-H195 VanDerWaalsContact C-N 3.32Å; L193-H195 PolarHBondContact O-N 3.23Å |
| 194 | Q | 57.3 | Low | 54.4 | Low | 143 Ų | 143 | 132.8 Ų | 132.8 | 67% | 0.668 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.2 | -22.2 | -172.9 | -66.5 | -74.6 | -3.3 | 0 | 0 | 114.2 | H198 | Q194-H198 PolarHBondContact O-NE2 3.14Š|
| 195 | H | 48.4 | Very low | 54.6 | Low | 170 Ų | 170 | 131.9 Ų | 131.9 | 79% | 0.787 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -9.5 | -175.8 | -81.1 | -73.7 | 0 | 0 | 0 | 115 | L193 | L193-H195 VanDerWaalsContact C-N 3.32Å; L193-H195 PolarHBondContact O-N 3.23Å |
| 196 | R | 56.1 | Low | 54.8 | Low | 214 Ų | 214 | 132.7 Ų | 132.7 | 81% | 0.808 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -92.4 | -11.4 | -173.4 | -167.2 | 167.1 | -72.2 | 145.6 | -0 | 114.5 | | |
| 197 | V | 53.8 | Low | 54.6 | Low | 115 Ų | 115 | 134.4 Ų | 134.4 | 70% | 0.697 | 75% | 0.752 | S | S | * | * | | | trans | -105 | 57 | -172.9 | -65.7 | 0 | 0 | 0 | 0 | 113 | | |
| 198 | H | 56.8 | Low | 54 | Low | 146 Ų | 146 | 139.3 Ų | 139.3 | 68% | 0.676 | 76% | 0.761 | S | S | * | * | | | trans | -136.1 | 68.1 | 175.5 | -52.7 | -111.1 | 0 | 0 | 0 | 110.2 | Q194 | Q194-H198 PolarHBondContact O-NE2 3.14Š|
| 199 | S | 54.5 | Low | 54 | Low | 120 Ų | 120 | 142.6 Ų | 142.6 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | | | trans | -164.1 | 89.9 | 159.1 | -158 | 0 | 0 | 0 | 0 | 110.7 | | |
| 200 | V | 53.8 | Low | 54.1 | Low | 149 Ų | 149 | 143.8 Ų | 143.8 | 90% | 0.903 | 77% | 0.773 | S | S | * | * | | | trans | -125.1 | 102.6 | 159.7 | -71.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 201 | G | 51.8 | Low | 54.1 | Low | 64 Ų | 64 | 146 Ų | 146 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | | | trans | -65.6 | 139.9 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 202 | H | 50.1 | Low | 54.3 | Low | 187 Ų | 187 | 152.9 Ų | 152.9 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | | | trans | -81.9 | 122.8 | 179.7 | -164.7 | 83.9 | 0 | 0 | 0 | 109.9 | | |
| 203 | F | 50.3 | Low | 54.6 | Low | 180 Ų | 180 | 150.3 Ų | 150.3 | 79% | 0.789 | 80% | 0.795 | S | S | * | * | | | trans | -126.6 | 136.8 | 171.5 | -73.1 | -77.3 | 0 | 0 | 0 | 110.9 | | |
| 204 | P | 53.3 | Low | 54.8 | Low | 119 Ų | 119 | 151.1 Ų | 151.1 | 77% | 0.773 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 129.3 | -176.3 | 30.6 | -32.5 | 0 | 0 | 0 | 111.2 | | |
| 205 | V | 51.6 | Low | 54.9 | Low | 133 Ų | 133 | 148.9 Ų | 148.9 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -84 | 118.4 | 178.1 | -176.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 206 | S | 55.9 | Low | 55 | Low | 115 Ų | 115 | 151.5 Ų | 151.5 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 125.2 | 170 | -74.7 | 0 | 0 | 0 | 0 | 110.8 | R208 | S206-R208 PolarHBondContact O-N 3.36Š|
| 207 | I | 49.6 | Very low | 55.6 | Low | 160 Ų | 160 | 147.3 Ų | 147.3 | 82% | 0.821 | 81% | 0.814 | S | S | * | * | | | trans | -83.3 | 107.5 | -175.3 | -46.7 | 166.1 | 0 | 0 | 0 | 108.4 | | |
| 208 | R | 56.8 | Low | 55.4 | Low | 241 Ų | 241 | 146.4 Ų | 146.4 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 127.4 | 164.2 | -82.2 | -164.6 | 176.8 | -133.4 | 1.6 | 109.8 | S206 | S206-R208 PolarHBondContact O-N 3.36Š|
| 209 | Q | 54.4 | Low | 55.4 | Low | 175 Ų | 175 | 145 Ų | 145 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 134.9 | 177.5 | -69.7 | -172.2 | -22.1 | 0 | 0 | 111 | | |
| 210 | P | 57.1 | Low | 55.2 | Low | 119 Ų | 119 | 145.6 Ų | 145.6 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -76 | 125.6 | 175.8 | 28.1 | -30.7 | 0 | 0 | 0 | 110.7 | K212 | P210-K212 PolarHBondContact O-N 3.28Š|
| 211 | L | 59.2 | Low | 54.8 | Low | 173 Ų | 173 | 145.1 Ų | 145.1 | 91% | 0.906 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 126.8 | 168.7 | -79.4 | 87.7 | 0 | 0 | 0 | 109 | | |
| 212 | K | 60.6 | Low | 54.8 | Low | 205 Ų | 205 | 151.2 Ų | 151.2 | 89% | 0.891 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 122.3 | 176.7 | -68.7 | -178.8 | 174.4 | -177 | 0 | 109.6 | P210 | P210-K212 PolarHBondContact O-N 3.28Š|
| 213 | A | 59.6 | Low | 54.4 | Low | 103 Ų | 103 | 145.6 Ų | 145.6 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 124.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 214 | T | 59.2 | Low | 54.2 | Low | 143 Ų | 143 | 141.9 Ų | 141.9 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | | | trans | -89.6 | 106.6 | 170.9 | 53.7 | 0 | 0 | 0 | 0 | 108.5 | | |
| 215 | A | 61 | Low | 54 | Low | 96 Ų | 96 | 141 Ų | 141 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -84 | 124.1 | 171 | 0 | 0 | 0 | 0 | 0 | 109.3 | V217 | A215-V217 PolarHBondContact O-N 3.3Š|
| 216 | Y | 50.6 | Low | 53.6 | Low | 224 Ų | 224 | 141.8 Ų | 141.8 | 88% | 0.878 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 116.7 | 175 | -150.4 | -97.5 | 0 | 0 | 0 | 108.4 | | |
| 217 | V | 66.8 | Low | 53.3 | Low | 127 Ų | 127 | 144.7 Ų | 144.7 | 77% | 0.77 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 131.2 | 171.1 | 150.9 | 0 | 0 | 0 | 0 | 108.3 | A215 | A215-V217 PolarHBondContact O-N 3.3Š|
| 218 | S | 49.6 | Very low | 53.3 | Low | 96 Ų | 96 | 143 Ų | 143 | 67% | 0.671 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -65 | 135.4 | 176.4 | -47.4 | 0 | 0 | 0 | 0 | 110.9 | T220 | S218-T220 PolarHBondContact O-N 3.26Š|
| 219 | P | 57.1 | Low | 52.9 | Low | 116 Ų | 116 | 139.2 Ų | 139.2 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 123.3 | 169.9 | 27.1 | -29.9 | 0 | 0 | 0 | 109.1 | V221 | P219-V221 PolarHBondContact O-N 3.03Š|
| 220 | T | 51.5 | Low | 52.6 | Low | 132 Ų | 132 | 136.1 Ų | 136.1 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 119.1 | 166 | 43.3 | 0 | 0 | 0 | 0 | 108.5 | S218 Q222 | S218-T220 PolarHBondContact O-N 3.26Å; T220-Q222 PolarHBondContact O-N 3.46Å |
| 221 | V | 45.8 | Very low | 52 | Low | 140 Ų | 140 | 138.6 Ų | 138.6 | 85% | 0.848 | 81% | 0.813 | S | S | * | * | | | trans | -68.3 | 99.4 | 173.6 | 171 | 0 | 0 | 0 | 0 | 108.5 | P219 | P219-V221 PolarHBondContact O-N 3.03Š|
| 222 | Q | 50.6 | Low | 51 | Low | 191 Ų | 191 | 133.9 Ų | 133.9 | 89% | 0.893 | 81% | 0.806 | S | S | * | * | | | trans | -90.1 | 93.9 | 157.9 | -165.6 | 171.7 | 0.6 | 0 | 0 | 106.5 | T220 | T220-Q222 PolarHBondContact O-N 3.46Š|
| 223 | G | 41.3 | Very low | 50.5 | Low | 69 Ų | 69 | 132.3 Ų | 132.3 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | | | trans | -104.7 | 84.3 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 224 | S | 46 | Very low | 49.7 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | | | trans | -82.7 | 133.5 | 150.9 | 53.6 | 0 | 0 | 0 | 0 | 108.8 | | |
| 225 | S | 49.1 | Very low | 49 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 69% | 0.692 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -6.2 | 116.4 | 169.1 | 58.8 | 0 | 0 | 0 | 0 | 117.8 | | |
| 226 | N | 43.3 | Very low | 48.3 | Very low | 151 Ų | 151 | 140.4 Ų | 140.4 | 81% | 0.807 | 80% | 0.797 | S | S | * | * | | | | 164.2 | 118.1 | 122.6 | -80.7 | -16.5 | 0 | 0 | 0 | 110.1 | | |
| 227 | M | 50.6 | Low | 47.9 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | | | trans | -67 | 144.9 | 165.4 | -72.9 | -73.8 | 157.6 | 0 | 0 | 109.9 | | |
| 228 | P | 49.4 | Very low | 46.8 | Very low | 125 Ų | 125 | 135.4 Ų | 135.4 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | | | | -134.2 | 140.2 | 113.5 | 28.4 | -13 | 0 | 0 | 0 | 113.6 | | |
| 229 | L | 49.3 | Very low | 46.9 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | | | trans | -69.6 | 137.3 | 164.5 | -70.9 | 147.7 | 0 | 0 | 0 | 110.3 | | |
| 230 | S | 46.4 | Very low | 46.2 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 84% | 0.836 | S | S | * | * | | | trans | -179.8 | 112.5 | 135.4 | 45.4 | 0 | 0 | 0 | 0 | 113.6 | | |
| 231 | N | 44.4 | Very low | 46 | Very low | 172 Ų | 172 | 139.4 Ų | 139.4 | 92% | 0.92 | 84% | 0.838 | S | S | * | * | | | | 39.6 | 134 | 129.2 | -64.5 | 2.2 | 0 | 0 | 0 | 122 | | |
| 232 | G | 40.1 | Very low | 46 | Very low | 73 Ų | 73 | 139.4 Ų | 139.4 | 75% | 0.753 | 84% | 0.837 | S | S | * | * | | | trans | 173.8 | 59.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | Q234 | G232-Q234 PolarHBondContact O-N 3.26Š|
| 233 | L | 48.3 | Very low | 45.7 | Very low | 172 Ų | 172 | 136.5 Ų | 136.5 | 90% | 0.901 | 83% | 0.834 | S | S | * | * | | | trans | -63.4 | 123.5 | 159.4 | -78.2 | 163.2 | 0 | 0 | 0 | 108.7 | | |
| 234 | Q | 44.5 | Very low | 46 | Very low | 158 Ų | 158 | 140.5 Ų | 140.5 | 74% | 0.738 | 84% | 0.841 | S | S | * | * | | | trans | -137.5 | 111 | 156.6 | -78.4 | -63.9 | 1.2 | 0 | 0 | 110.7 | G232 | G232-Q234 PolarHBondContact O-N 3.26Š|
| 235 | L | 43.9 | Very low | 46 | Very low | 148 Ų | 148 | 142.8 Ų | 142.8 | 78% | 0.775 | 85% | 0.849 | S | S | * | * | | | trans | -83.2 | 128.1 | 169.4 | -175.4 | 80.5 | 0 | 0 | 0 | 107.3 | | |
| 236 | Y | 46 | Very low | 45.8 | Very low | 207 Ų | 207 | 145.7 Ų | 145.7 | 81% | 0.812 | 86% | 0.859 | S | S | * | * | | | trans | -137.8 | 109.7 | 160.4 | -87 | -81.4 | 0 | 0 | 0 | 111.5 | | |
| 237 | S | 43.2 | Very low | 46 | Very low | 99 Ų | 99 | 145.4 Ų | 145.4 | 69% | 0.692 | 86% | 0.863 | S | S | * | * | | | trans | -67.7 | 140.9 | 159.5 | -48.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 238 | N | 43.7 | Very low | 45.6 | Very low | 147 Ų | 147 | 143 Ų | 143 | 79% | 0.786 | 86% | 0.863 | S | S | * | * | | | trans | -172.1 | 101.8 | 142.2 | -132.5 | -11.3 | 0 | 0 | 0 | 107.5 | | |
| 239 | T | 51 | Low | 45.3 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 80% | 0.804 | 87% | 0.867 | S | S | * | * | | | | 33.3 | 115.9 | 89.6 | 45.6 | 0 | 0 | 0 | 0 | 115.7 | | |
| 240 | G | 42.8 | Very low | 44.9 | Very low | 157 Ų | 157 | 143 Ų | 143 | 100% | 1.619 | 87% | 0.869 | S | S | * | * | | | trans | 178.8 | 0 | 171.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |