| 1 | M | 39.9 | Very low | 59.2 | Low | 235 Ų | 235 | 140.2 Ų | 140.2 | 100% | 1.158 | 70% | 0.704 | S | S | * | * | | | | 0 | 108.6 | 0 | -68.9 | 161.6 | 72.9 | 0 | 0 | 108.9 | K3 | M1-K3 PolarHBondContact O-N 3.35Š|
| 2 | K | 61.2 | Low | 60.8 | Low | 199 Ų | 199 | 141.3 Ų | 141.3 | 87% | 0.865 | 70% | 0.702 | S | S | * | * | | | trans | -78 | 110 | 179.5 | -176.1 | 163.3 | 168.2 | 175.6 | 0 | 108 | F4 | K2-F4 PolarHBondContact O-N 2.95Š|
| 3 | K | 56.9 | Low | 61.6 | Low | 204 Ų | 204 | 137.3 Ų | 137.3 | 89% | 0.887 | 68% | 0.683 | S | S | * | * | | | trans | -69.3 | 114.4 | -179.6 | -58.9 | -174.4 | -178.8 | -178.4 | 0 | 107.7 | M1 A5 | M1-K3 PolarHBondContact O-N 3.35Å; K3-A5 PolarHBondContact O-N 2.95Å |
| 4 | F | 50.3 | Low | 62.2 | Low | 200 Ų | 200 | 130.1 Ų | 130.1 | 88% | 0.877 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 136 | 174.3 | -84.8 | -91.9 | 0 | 0 | 0 | 109.4 | K2 | K2-F4 PolarHBondContact O-N 2.95Š|
| 5 | A | 57.8 | Low | 62.9 | Low | 66 Ų | 66 | 127.2 Ų | 127.2 | 55% | 0.545 | 65% | 0.652 | S | S | . | * | P | Polyproline II helix | trans | -62 | 145.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | K3 S9 | K3-A5 PolarHBondContact O-N 2.95Å; A5-S9 WeakPolarHBondContact CB-OG 3.33Å |
| 6 | S | 62.7 | Low | 63.6 | Low | 84 Ų | 84 | 129.7 Ų | 129.7 | 59% | 0.587 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 140.6 | 176.6 | 174 | 0 | 0 | 0 | 0 | 111.2 | R8 S9 | S6-R8 PolarHBondContact O-N 3.49Å; S6-R8 PolarHBondContact OG-N 2.85Å; S6-S9 PolarHBondContact O-N 3.25Å; S6-S9 PolarHBondContact O-OG 3.46Å |
| 7 | S | 58.3 | Low | 63.7 | Low | 93 Ų | 93 | 124.9 Ų | 124.9 | 65% | 0.65 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -52.3 | -23.5 | 177 | -49 | 0 | 0 | 0 | 0 | 113.4 | S9 L10 | S7-S9 VanDerWaalsContact C-N 3.31Å; S7-S9 PolarHBondContact O-N 3.28Å; S7-L10 PolarHBondContact O-N 2.92Å |
| 8 | R | 57.4 | Low | 64 | Low | 214 Ų | 214 | 125.2 Ų | 125.2 | 81% | 0.808 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -63.1 | -30 | 171.9 | -104 | -173.7 | 179 | -151.7 | -0.5 | 114.2 | S6 | S6-R8 PolarHBondContact O-N 3.49Å; S6-R8 PolarHBondContact OG-N 2.85Å |
| 9 | S | 67.9 | Low | 64 | Low | 37 Ų | 37 | 123.8 Ų | 123.8 | 26% | 0.259 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -82 | -28.5 | 179.1 | 70.8 | 0 | 0 | 0 | 0 | 112.4 | A5 S6 S7 K12 I13 | A5-S9 WeakPolarHBondContact CB-OG 3.33Å; S6-S9 PolarHBondContact O-N 3.25Å; S6-S9 PolarHBondContact O-OG 3.46Å; S7-S9 VanDerWaalsContact C-N 3.31Å; S7-S9 PolarHBondContact O-N 3.28Å; S9-K12 PolarHBondContact O-N 3.49Å; S9-I13 WeakPolarHBondContact O-CD1 3.46Å; S9-I13 VanDerWaalsContact O-CG1 3.3Å; S9-I13 WeakPolarHBondContact O-CG1 3.38Å; S9-I13 PolarHBondContact O-N 3.03Å; S9-I13 VanDerWaalsContact O-N 3.15Å |
| 10 | L | 66.1 | Low | 63.9 | Low | 93 Ų | 93 | 123.4 Ų | 123.4 | 49% | 0.487 | 65% | 0.654 | S | S | . | * | H | α-helix | trans | -63.9 | -46 | 177.8 | -80.4 | 170.7 | 0 | 0 | 0 | 111.6 | S7 K12 I13 L14 | S7-L10 PolarHBondContact O-N 2.92Å; L10-K12 PolarHBondContact O-N 2.95Å; L10-I13 PolarHBondContact O-N 3.41Å; L10-L14 HydrophobicContact CB-CD1 4.49Å; L10-L14 WeakPolarHBondContact O-CD1 3.43Å; L10-L14 PolarHBondContact O-N 3.49Å |
| 11 | N | 72.4 | Confident | 64.2 | Low | 117 Ų | 117 | 119.6 Ų | 119.6 | 63% | 0.626 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -61 | -32.6 | 178.1 | -76.2 | -41.8 | 0 | 0 | 0 | 113.2 | A15 | N11-A15 WeakPolarHBondContact O-CB 2.83Å; N11-A15 PolarHBondContact O-N 2.92Å; N11-A15 VanDerWaalsContact O-N 3.09Å |
| 12 | K | 78.2 | Confident | 65.7 | Low | 154 Ų | 154 | 117.7 Ų | 117.7 | 67% | 0.67 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.3 | -37 | 175 | -69.7 | -175 | 174.9 | -169.9 | 0 | 112.2 | S9 L10 A15 Q16 | S9-K12 PolarHBondContact O-N 3.49Å; L10-K12 PolarHBondContact O-N 2.95Å; K12-A15 PolarHBondContact O-N 3.03Å; K12-Q16 WeakPolarHBondContact O-CG 3.42Å; K12-Q16 PolarHBondContact O-N 3.42Å |
| 13 | I | 71.6 | Confident | 66.1 | Low | 89 Ų | 89 | 113.5 Ų | 113.5 | 46% | 0.456 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.4 | -45.1 | 176.7 | -65.4 | 163.1 | 0 | 0 | 0 | 109.9 | S9 L10 A15 Q16 C17 | S9-I13 WeakPolarHBondContact O-CD1 3.46Å; S9-I13 VanDerWaalsContact O-CG1 3.3Å; S9-I13 WeakPolarHBondContact O-CG1 3.38Å; S9-I13 PolarHBondContact O-N 3.03Å; S9-I13 VanDerWaalsContact O-N 3.15Å; L10-I13 PolarHBondContact O-N 3.41Å; I13-A15 VanDerWaalsContact C-N 3.26Å; I13-A15 PolarHBondContact O-N 3.3Å; I13-Q16 PolarHBondContact O-N 3.36Å; I13-C17 PolarHBondContact O-N 3.04Å; I13-C17 PolarHBondContact O-SG 2.91Å; I13-C17 VanDerWaalsContact O-SG 3.37Å |
| 14 | L | 69.3 | Low | 66.9 | Low | 36 Ų | 36 | 106.7 Ų | 106.7 | 19% | 0.188 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -61.2 | -34 | 175.6 | -87.3 | 95.1 | 0 | 0 | 0 | 112.6 | L10 Q16 C17 Y24 V27 | L10-L14 HydrophobicContact CB-CD1 4.49Å; L10-L14 WeakPolarHBondContact O-CD1 3.43Å; L10-L14 PolarHBondContact O-N 3.49Å; L14-Q16 PolarHBondContact O-N 3.3Å; L14-C17 PolarHBondContact O-N 3.06Å; L14-Y24 HydrophobicContact CB-CE2 4.4Å; L14-Y24 HydrophobicContact CD2-CD2 4.19Å; L14-Y24 HydrophobicContact CD2-CE2 3.72Å; L14-Y24 HydrophobicContact CG-CD2 4.49Å; L14-Y24 HydrophobicContact CG-CE2 4.31Å; L14-V27 HydrophobicContact CD1-CG1 4.22Å; L14-V27 HydrophobicContact CD2-CG1 4.23Å |
| 15 | A | 73.4 | Confident | 68.3 | Low | 87 Ų | 87 | 103.9 Ų | 103.9 | 72% | 0.719 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -70.7 | -19.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N11 K12 I13 | N11-A15 WeakPolarHBondContact O-CB 2.83Å; N11-A15 PolarHBondContact O-N 2.92Å; N11-A15 VanDerWaalsContact O-N 3.09Å; K12-A15 PolarHBondContact O-N 3.03Å; I13-A15 VanDerWaalsContact C-N 3.26Å; I13-A15 PolarHBondContact O-N 3.3Å |
| 16 | Q | 73.7 | Confident | 69.3 | Low | 167 Ų | 167 | 106.7 Ų | 106.7 | 78% | 0.78 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -95.1 | -9.1 | 176.4 | -69.8 | -177.2 | -41.4 | 0 | 0 | 112.9 | K12 I13 L14 | K12-Q16 WeakPolarHBondContact O-CG 3.42Å; K12-Q16 PolarHBondContact O-N 3.42Å; I13-Q16 PolarHBondContact O-N 3.36Å; L14-Q16 PolarHBondContact O-N 3.3Å |
| 17 | C | 65.8 | Low | 70.1 | Confident | 48 Ų | 48 | 105.8 Ų | 105.8 | 32% | 0.324 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -88.2 | 131.6 | 176.4 | -69.6 | 0 | 0 | 0 | 0 | 110.3 | I13 L14 S19 | I13-C17 PolarHBondContact O-N 3.04Å; I13-C17 PolarHBondContact O-SG 2.91Å; I13-C17 VanDerWaalsContact O-SG 3.37Å; L14-C17 PolarHBondContact O-N 3.06Å; C17-S19 PolarHBondContact O-N 3.46Å |
| 18 | D | 68.6 | Low | 71 | Confident | 131 Ų | 131 | 103.1 Ų | 103.1 | 70% | 0.701 | 53% | 0.53 | S | S | * | . | | | trans | -60.7 | 128.4 | 170.5 | -70.1 | -43.5 | 0 | 0 | 0 | 109.4 | S20 S21 | D18-S20 PolarHBondContact O-N 3.36Å; D18-S21 VanDerWaalsContact O-CB 3.27Å; D18-S21 WeakPolarHBondContact O-CB 3.19Å; D18-S21 PolarHBondContact O-N 3.34Å |
| 19 | S | 64.3 | Low | 72.2 | Confident | 98 Ų | 98 | 95.4 Ų | 95.4 | 69% | 0.685 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -6.7 | -171.8 | -54.3 | 0 | 0 | 0 | 0 | 114.3 | C17 | C17-S19 PolarHBondContact O-N 3.46Š|
| 20 | S | 62.6 | Low | 72.7 | Confident | 116 Ų | 116 | 97 Ų | 97 | 81% | 0.811 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -0.6 | 173.6 | 63 | 0 | 0 | 0 | 0 | 113.9 | D18 | D18-S20 PolarHBondContact O-N 3.36Š|
| 21 | S | 69.4 | Low | 73.3 | Confident | 44 Ų | 44 | 96.4 Ų | 96.4 | 31% | 0.308 | 52% | 0.515 | S | S | . | . | | | trans | -72.7 | 137.2 | -178.7 | -146.1 | 0 | 0 | 0 | 0 | 110.7 | D18 E23 Y24 E25 | D18-S21 VanDerWaalsContact O-CB 3.27Å; D18-S21 WeakPolarHBondContact O-CB 3.19Å; D18-S21 PolarHBondContact O-N 3.34Å; S21-E23 WeakPolarHBondContact CB-OE2 3.38Å; S21-E23 PolarHBondContact O-N 2.99Å; S21-E23 VanDerWaalsContact O-N 3.15Å; S21-E23 PolarHBondContact OG-OE2 2.98Å; S21-Y24 VanDerWaalsContact O-CB 3.31Å; S21-Y24 WeakPolarHBondContact O-CB 3.42Å; S21-Y24 PolarHBondContact O-N 2.84Å; S21-E25 PolarHBondContact O-N 2.76Å |
| 22 | R | 70.8 | Confident | 73.6 | Confident | 195 Ų | 195 | 97.9 Ų | 97.9 | 74% | 0.736 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57 | -31.9 | 178.4 | -176.8 | 172.1 | 178 | -114 | -1.1 | 112.3 | Y24 E25 E26 | R22-Y24 VanDerWaalsContact C-N 3.33Å; R22-E25 PolarHBondContact O-N 3.03Å; R22-E26 PolarHBondContact O-N 2.77Å |
| 23 | E | 69.7 | Low | 73.6 | Confident | 110 Ų | 110 | 98 Ų | 98 | 51% | 0.514 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -35 | 176.4 | -61.3 | 74 | -165 | 0 | 0 | 111.7 | S21 V27 | S21-E23 WeakPolarHBondContact CB-OE2 3.38Å; S21-E23 PolarHBondContact O-N 2.99Å; S21-E23 VanDerWaalsContact O-N 3.15Å; S21-E23 PolarHBondContact OG-OE2 2.98Å; E23-V27 WeakPolarHBondContact O-CB 3.47Å; E23-V27 WeakPolarHBondContact O-CG2 3.28Å; E23-V27 PolarHBondContact O-N 2.95Å |
| 24 | Y | 74.8 | Confident | 73.7 | Confident | 62 Ų | 62 | 101.5 Ų | 101.5 | 24% | 0.243 | 52% | 0.519 | C | S | . | . | H | α-helix | trans | -69.4 | -40.4 | 176.4 | -174.4 | -91.6 | 0 | 0 | 0 | 111.1 | L14 S21 R22 V27 Q28 | L14-Y24 HydrophobicContact CB-CE2 4.4Å; L14-Y24 HydrophobicContact CD2-CD2 4.19Å; L14-Y24 HydrophobicContact CD2-CE2 3.72Å; L14-Y24 HydrophobicContact CG-CD2 4.49Å; L14-Y24 HydrophobicContact CG-CE2 4.31Å; S21-Y24 VanDerWaalsContact O-CB 3.31Å; S21-Y24 WeakPolarHBondContact O-CB 3.42Å; S21-Y24 PolarHBondContact O-N 2.84Å; R22-Y24 VanDerWaalsContact C-N 3.33Å; Y24-V27 PolarHBondContact O-N 2.89Å; Y24-Q28 HydrophobicContact CD1-CG 4.03Å; Y24-Q28 HydrophobicContact CE1-CG 3.66Å; Y24-Q28 VanDerWaalsContact O-CB 3.31Å; Y24-Q28 WeakPolarHBondContact O-CB 3Å; Y24-Q28 VanDerWaalsContact O-CG 3.3Å; Y24-Q28 WeakPolarHBondContact O-CG 3.26Å; Y24-Q28 PolarHBondContact O-N 2.68Å; Y24-Q28 PolarHBondContact OH-NE2 2.76Å |
| 25 | E | 80.3 | Confident | 73.8 | Confident | 140 Ų | 140 | 105.2 Ų | 105.2 | 65% | 0.654 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.8 | -40.8 | 176.9 | -170.4 | 168.8 | -157.5 | 0 | 0 | 112.1 | S21 R22 Q28 A29 | S21-E25 PolarHBondContact O-N 2.76Å; R22-E25 PolarHBondContact O-N 3.03Å; E25-Q28 PolarHBondContact O-N 2.86Å; E25-A29 VanDerWaalsContact O-CB 3.29Å; E25-A29 WeakPolarHBondContact O-CB 3.32Å; E25-A29 PolarHBondContact O-N 2.82Å |
| 26 | E | 78.6 | Confident | 73.5 | Confident | 125 Ų | 125 | 106.7 Ų | 106.7 | 58% | 0.584 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.9 | -44 | 175.6 | -171.3 | 173.6 | -178.2 | 0 | 0 | 111.7 | R22 A29 V30 | R22-E26 PolarHBondContact O-N 2.77Å; E26-A29 PolarHBondContact O-N 3.41Å; E26-V30 WeakPolarHBondContact O-CB 3Å; E26-V30 VanDerWaalsContact O-CG2 3.28Å; E26-V30 WeakPolarHBondContact O-CG2 3.12Å; E26-V30 PolarHBondContact O-N 2.94Å |
| 27 | V | 78.4 | Confident | 73.3 | Confident | 66 Ų | 66 | 105.4 Ų | 105.4 | 40% | 0.4 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 176.2 | 170.9 | 0 | 0 | 0 | 0 | 111.2 | L14 E23 Y24 V30 E31 | L14-V27 HydrophobicContact CD1-CG1 4.22Å; L14-V27 HydrophobicContact CD2-CG1 4.23Å; E23-V27 WeakPolarHBondContact O-CB 3.47Å; E23-V27 WeakPolarHBondContact O-CG2 3.28Å; E23-V27 PolarHBondContact O-N 2.95Å; Y24-V27 PolarHBondContact O-N 2.89Å; V27-V30 PolarHBondContact O-N 2.94Å; V27-E31 WeakPolarHBondContact O-CB 3.29Å; V27-E31 PolarHBondContact O-N 3.26Å |
| 28 | Q | 77.1 | Confident | 73.1 | Confident | 36 Ų | 36 | 106.3 Ų | 106.3 | 17% | 0.168 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -65.5 | -38.7 | 176.5 | -81.2 | -76.4 | 8 | 0 | 0 | 112.7 | Y24 E25 E31 R32 | Y24-Q28 HydrophobicContact CD1-CG 4.03Å; Y24-Q28 HydrophobicContact CE1-CG 3.66Å; Y24-Q28 VanDerWaalsContact O-CB 3.31Å; Y24-Q28 WeakPolarHBondContact O-CB 3Å; Y24-Q28 VanDerWaalsContact O-CG 3.3Å; Y24-Q28 WeakPolarHBondContact O-CG 3.26Å; Y24-Q28 PolarHBondContact O-N 2.68Å; Y24-Q28 PolarHBondContact OH-NE2 2.76Å; E25-Q28 PolarHBondContact O-N 2.86Å; Q28-E31 PolarHBondContact O-N 3.25Å; Q28-R32 WeakPolarHBondContact O-CB 3.35Å; Q28-R32 VanDerWaalsContact O-CG 3.29Å; Q28-R32 WeakPolarHBondContact O-CG 3.33Å; Q28-R32 PolarHBondContact O-N 3.4Å |
| 29 | A | 82.3 | Confident | 72.7 | Confident | 53 Ų | 53 | 102.1 Ų | 102.1 | 44% | 0.438 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | E25 E26 R32 K33 | E25-A29 VanDerWaalsContact O-CB 3.29Å; E25-A29 WeakPolarHBondContact O-CB 3.32Å; E25-A29 PolarHBondContact O-N 2.82Å; E26-A29 PolarHBondContact O-N 3.41Å; A29-R32 PolarHBondContact O-N 3.39Å; A29-K33 VanDerWaalsContact O-CB 3.29Å; A29-K33 WeakPolarHBondContact O-CB 3.36Å; A29-K33 PolarHBondContact O-N 3.4Å |
| 30 | V | 79.4 | Confident | 72.4 | Confident | 69 Ų | 69 | 101.6 Ų | 101.6 | 42% | 0.418 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.7 | -51 | 173.1 | 169.9 | 0 | 0 | 0 | 0 | 109.6 | E26 V27 R32 K33 W34 | E26-V30 WeakPolarHBondContact O-CB 3Å; E26-V30 VanDerWaalsContact O-CG2 3.28Å; E26-V30 WeakPolarHBondContact O-CG2 3.12Å; E26-V30 PolarHBondContact O-N 2.94Å; V27-V30 PolarHBondContact O-N 2.94Å; V30-R32 PolarHBondContact O-N 3.33Å; V30-K33 WeakPolarHBondContact O-CB 3.29Å; V30-K33 PolarHBondContact O-N 2.73Å; V30-K33 VanDerWaalsContact O-N 3.13Å; V30-W34 VanDerWaalsContact CG1-NE1 3.29Å; V30-W34 PolarHBondContact O-N 3.28Å |
| 31 | E | 77.7 | Confident | 72.2 | Confident | 82 Ų | 82 | 98.8 Ų | 98.8 | 38% | 0.383 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -55.2 | -49.9 | 177.8 | -176.9 | 171.6 | -172 | 0 | 0 | 112 | V27 Q28 K33 W34 H35 | V27-E31 WeakPolarHBondContact O-CB 3.29Å; V27-E31 PolarHBondContact O-N 3.26Å; Q28-E31 PolarHBondContact O-N 3.25Å; E31-K33 VanDerWaalsContact C-N 3.33Å; E31-K33 PolarHBondContact O-N 2.88Å; E31-W34 PolarHBondContact O-N 2.85Å; E31-H35 WeakPolarHBondContact CG-CE1 3.44Å; E31-H35 WeakPolarHBondContact CG-ND1 3.42Å; E31-H35 PolarHBondContact O-N 3.21Å; E31-H35 PolarHBondContact O-ND1 3.13Å; E31-H35 IonicContact OE1-CE1 3.4Å; E31-H35 PolarHBondContact OE1-CE1 3.4Å |
| 32 | R | 79.1 | Confident | 71.7 | Confident | 147 Ų | 147 | 103.9 Ų | 103.9 | 56% | 0.555 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.3 | -41.6 | 176.6 | -72.2 | 180 | -174.1 | 111.9 | 4.3 | 112.1 | Q28 A29 V30 H35 L36 | Q28-R32 WeakPolarHBondContact O-CB 3.35Å; Q28-R32 VanDerWaalsContact O-CG 3.29Å; Q28-R32 WeakPolarHBondContact O-CG 3.33Å; Q28-R32 PolarHBondContact O-N 3.4Å; A29-R32 PolarHBondContact O-N 3.39Å; V30-R32 PolarHBondContact O-N 3.33Å; R32-H35 PolarHBondContact O-N 2.88Å; R32-L36 VanDerWaalsContact O-CG 3.29Å; R32-L36 WeakPolarHBondContact O-CG 3.29Å; R32-L36 PolarHBondContact O-N 2.93Å |
| 33 | K | 77.9 | Confident | 71.2 | Confident | 158 Ų | 158 | 104.5 Ų | 104.5 | 69% | 0.687 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -42.6 | 175.9 | -176.3 | 178.3 | 177.2 | 180 | 0 | 111.8 | A29 V30 E31 L36 H37 | A29-K33 VanDerWaalsContact O-CB 3.29Å; A29-K33 WeakPolarHBondContact O-CB 3.36Å; A29-K33 PolarHBondContact O-N 3.4Å; V30-K33 WeakPolarHBondContact O-CB 3.29Å; V30-K33 PolarHBondContact O-N 2.73Å; V30-K33 VanDerWaalsContact O-N 3.13Å; E31-K33 VanDerWaalsContact C-N 3.33Å; E31-K33 PolarHBondContact O-N 2.88Å; K33-L36 PolarHBondContact O-N 3.4Å; K33-H37 WeakPolarHBondContact O-CB 3.38Å; K33-H37 PolarHBondContact O-N 2.85Å |
| 34 | W | 74.1 | Confident | 70.6 | Confident | 161 Ų | 161 | 104.8 Ų | 104.8 | 61% | 0.61 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.8 | -43.1 | 174 | -78 | 104.2 | 0 | 0 | 0 | 111.7 | V30 E31 H37 L38 | V30-W34 VanDerWaalsContact CG1-NE1 3.29Å; V30-W34 PolarHBondContact O-N 3.28Å; E31-W34 PolarHBondContact O-N 2.85Å; W34-H37 PolarHBondContact O-N 3.48Å; W34-L38 WeakPolarHBondContact O-CB 3.36Å; W34-L38 VanDerWaalsContact O-CG 3.29Å; W34-L38 WeakPolarHBondContact O-CG 3.29Å; W34-L38 PolarHBondContact O-N 3.49Å |
| 35 | H | 71.6 | Confident | 69.8 | Low | 114 Ų | 114 | 105.7 Ų | 105.7 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.8 | -43.2 | 176.6 | -76.2 | 89.5 | 0 | 0 | 0 | 111.8 | E31 R32 L38 A39 | E31-H35 WeakPolarHBondContact CG-CE1 3.44Å; E31-H35 WeakPolarHBondContact CG-ND1 3.42Å; E31-H35 PolarHBondContact O-N 3.21Å; E31-H35 PolarHBondContact O-ND1 3.13Å; E31-H35 IonicContact OE1-CE1 3.4Å; E31-H35 PolarHBondContact OE1-CE1 3.4Å; R32-H35 PolarHBondContact O-N 2.88Å; H35-L38 PolarHBondContact O-N 2.82Å; H35-A39 WeakPolarHBondContact O-CA 3.28Å; H35-A39 WeakPolarHBondContact O-CB 3.46Å; H35-A39 PolarHBondContact O-N 2.96Å |
| 36 | L | 68.3 | Low | 68.8 | Low | 119 Ų | 119 | 105.7 Ų | 105.7 | 62% | 0.623 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 175.2 | -71.3 | 167.7 | 0 | 0 | 0 | 111.9 | R32 K33 L38 T40 | R32-L36 VanDerWaalsContact O-CG 3.29Å; R32-L36 WeakPolarHBondContact O-CG 3.29Å; R32-L36 PolarHBondContact O-N 2.93Å; K33-L36 PolarHBondContact O-N 3.4Å; L36-L38 VanDerWaalsContact C-N 3.31Å; L36-L38 PolarHBondContact O-N 3.34Å; L36-T40 WeakPolarHBondContact O-CB 3.3Å; L36-T40 PolarHBondContact O-N 3.39Å; L36-T40 PolarHBondContact O-OG1 3.18Å |
| 37 | H | 67.9 | Low | 67.8 | Low | 140 Ų | 140 | 104.6 Ų | 104.6 | 65% | 0.648 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.6 | -31 | 180 | -166.1 | -83.6 | 0 | 0 | 0 | 112.7 | K33 W34 P41 | K33-H37 WeakPolarHBondContact O-CB 3.38Å; K33-H37 PolarHBondContact O-N 2.85Å; W34-H37 PolarHBondContact O-N 3.48Å; H37-P41 WeakPolarHBondContact O-CD 3.38Å; H37-P41 VanDerWaalsContact O-CG 3.26Å; H37-P41 WeakPolarHBondContact O-CG 3.16Å |
| 38 | L | 61.9 | Low | 66.8 | Low | 66 Ų | 66 | 112.5 Ų | 112.5 | 35% | 0.346 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -93.9 | -29.4 | -179.9 | -66.5 | 175.2 | 0 | 0 | 0 | 113.6 | W34 H35 L36 R42 | W34-L38 WeakPolarHBondContact O-CB 3.36Å; W34-L38 VanDerWaalsContact O-CG 3.29Å; W34-L38 WeakPolarHBondContact O-CG 3.29Å; W34-L38 PolarHBondContact O-N 3.49Å; H35-L38 PolarHBondContact O-N 2.82Å; L36-L38 VanDerWaalsContact C-N 3.31Å; L36-L38 PolarHBondContact O-N 3.34Å; L38-R42 VanDerWaalsContact O-CB 3.28Å; L38-R42 WeakPolarHBondContact O-CB 3.31Å; L38-R42 VanDerWaalsContact O-CD 3.32Å; L38-R42 WeakPolarHBondContact O-CD 3.45Å; L38-R42 WeakPolarHBondContact O-CG 3.29Å; L38-R42 PolarHBondContact O-N 3.38Å |
| 39 | A | 59.7 | Low | 65.8 | Low | 44 Ų | 44 | 121.9 Ų | 121.9 | 36% | 0.364 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -75.1 | -36.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | H35 R42 R43 | H35-A39 WeakPolarHBondContact O-CA 3.28Å; H35-A39 WeakPolarHBondContact O-CB 3.46Å; H35-A39 PolarHBondContact O-N 2.96Å; A39-R42 PolarHBondContact O-N 2.93Å; A39-R43 WeakPolarHBondContact O-CB 3.18Å; A39-R43 WeakPolarHBondContact O-CG 3.43Å; A39-R43 PolarHBondContact O-N 2.85Å |
| 40 | T | 59.2 | Low | 64.5 | Low | 86 Ų | 86 | 120.8 Ų | 120.8 | 53% | 0.528 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.7 | -53.6 | 179.4 | -52 | 0 | 0 | 0 | 0 | 112.5 | L36 L44 | L36-T40 WeakPolarHBondContact O-CB 3.3Å; L36-T40 PolarHBondContact O-N 3.39Å; L36-T40 PolarHBondContact O-OG1 3.18Å; T40-L44 WeakPolarHBondContact O-CG 3.47Å; T40-L44 PolarHBondContact O-N 3.09Å |
| 41 | P | 58.7 | Low | 63.3 | Low | 57 Ų | 57 | 122.3 Ų | 122.3 | 37% | 0.37 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -70.6 | -33.6 | 176.3 | 27.2 | -34.3 | 0 | 0 | 0 | 112.6 | H37 R43 L44 L45 | H37-P41 WeakPolarHBondContact O-CD 3.38Å; H37-P41 VanDerWaalsContact O-CG 3.26Å; H37-P41 WeakPolarHBondContact O-CG 3.16Å; P41-R43 PolarHBondContact O-N 3.24Å; P41-L44 PolarHBondContact O-N 2.89Å; P41-L45 WeakPolarHBondContact O-CB 3.31Å; P41-L45 WeakPolarHBondContact O-CG 3.3Å; P41-L45 PolarHBondContact O-N 3.05Å |
| 42 | R | 58.9 | Low | 62.2 | Low | 151 Ų | 151 | 123 Ų | 123 | 57% | 0.57 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.1 | -35.7 | 178.8 | -76.9 | 176.8 | 179.2 | 144 | 2.4 | 112.8 | L38 A39 L45 L46 | L38-R42 VanDerWaalsContact O-CB 3.28Å; L38-R42 WeakPolarHBondContact O-CB 3.31Å; L38-R42 VanDerWaalsContact O-CD 3.32Å; L38-R42 WeakPolarHBondContact O-CD 3.45Å; L38-R42 WeakPolarHBondContact O-CG 3.29Å; L38-R42 PolarHBondContact O-N 3.38Å; A39-R42 PolarHBondContact O-N 2.93Å; R42-L45 PolarHBondContact O-N 3.43Å; R42-L46 WeakPolarHBondContact O-CB 3.11Å; R42-L46 PolarHBondContact O-N 3.43Å |
| 43 | R | 59.1 | Low | 61.2 | Low | 208 Ų | 208 | 119.9 Ų | 119.9 | 79% | 0.785 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -67.3 | -40.4 | 173.8 | -80.2 | -175.7 | 163.6 | -164.5 | -4.2 | 112 | A39 P41 L46 D47 | A39-R43 WeakPolarHBondContact O-CB 3.18Å; A39-R43 WeakPolarHBondContact O-CG 3.43Å; A39-R43 PolarHBondContact O-N 2.85Å; P41-R43 PolarHBondContact O-N 3.24Å; R43-L46 PolarHBondContact O-N 3.35Å; R43-D47 PolarHBondContact O-N 3.49Å |
| 44 | L | 58.6 | Low | 60.2 | Low | 116 Ų | 116 | 117 Ų | 117 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68.5 | -32.8 | 176.2 | -65 | 172.1 | 0 | 0 | 0 | 112.8 | T40 P41 | T40-L44 WeakPolarHBondContact O-CG 3.47Å; T40-L44 PolarHBondContact O-N 3.09Å; P41-L44 PolarHBondContact O-N 2.89Å |
| 45 | L | 57.4 | Low | 59.5 | Low | 82 Ų | 82 | 116.3 Ų | 116.3 | 43% | 0.429 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -81.6 | -22.2 | 177.9 | -69.6 | 170 | 0 | 0 | 0 | 114.1 | P41 R42 L54 | P41-L45 WeakPolarHBondContact O-CB 3.31Å; P41-L45 WeakPolarHBondContact O-CG 3.3Å; P41-L45 PolarHBondContact O-N 3.05Å; R42-L45 PolarHBondContact O-N 3.43Å; L45-L54 HydrophobicContact CD2-CB 4.34Å; L45-L54 HydrophobicContact CD2-CD1 3.66Å |
| 46 | L | 59.4 | Low | 58.9 | Low | 140 Ų | 140 | 119.7 Ų | 119.7 | 73% | 0.733 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -82.4 | -15.5 | 174.6 | -111 | 73.6 | 0 | 0 | 0 | 112.9 | R42 R43 R48 | R42-L46 WeakPolarHBondContact O-CB 3.11Å; R42-L46 PolarHBondContact O-N 3.43Å; R43-L46 PolarHBondContact O-N 3.35Å; L46-R48 PolarHBondContact O-N 3.25Å |
| 47 | D | 57.3 | Low | 58.8 | Low | 101 Ų | 101 | 118.3 Ų | 118.3 | 54% | 0.54 | 59% | 0.592 | S | S | . | * | S | Bend | trans | -64.1 | 105.4 | 170.9 | -158.6 | -16.6 | 0 | 0 | 0 | 108.2 | R43 R49 A50 | R43-D47 PolarHBondContact O-N 3.49Å; D47-R49 PolarHBondContact O-N 2.92Å; D47-A50 PolarHBondContact O-N 2.79Å |
| 48 | R | 56.3 | Low | 59.1 | Low | 233 Ų | 233 | 115.7 Ų | 115.7 | 88% | 0.879 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | -20.4 | -171.2 | -167.5 | 178.5 | -172.1 | -175.3 | 2.6 | 112.3 | L46 | L46-R48 PolarHBondContact O-N 3.25Š|
| 49 | R | 56.9 | Low | 59.7 | Low | 233 Ų | 233 | 118.1 Ų | 118.1 | 88% | 0.879 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.6 | -23.9 | -178.7 | -139.6 | 172.7 | -168.2 | -134.6 | 1.2 | 114.7 | D47 | D47-R49 PolarHBondContact O-N 2.92Š|
| 50 | A | 54.8 | Low | 60.6 | Low | 29 Ų | 29 | 121.4 Ų | 121.4 | 24% | 0.24 | 63% | 0.632 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -90.1 | -12.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D47 A52 S53 L54 | D47-A50 PolarHBondContact O-N 2.79Å; A50-A52 PolarHBondContact O-N 3.03Å; A50-S53 PolarHBondContact O-N 3.39Å; A50-S53 PolarHBondContact O-OG 3.47Å; A50-L54 PolarHBondContact O-N 2.9Å |
| 51 | K | 54 | Low | 61.5 | Low | 102 Ų | 102 | 122.6 Ų | 122.6 | 44% | 0.443 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -62.2 | -29.5 | -177.2 | -124.6 | 173.6 | 174.2 | 162 | 0 | 113.1 | S53 F55 | K51-S53 PolarHBondContact O-N 3.36Å; K51-F55 HydrophobicContact CB-CE2 4.14Å; K51-F55 HydrophobicContact CD-CE2 4.16Å; K51-F55 HydrophobicContact CD-CZ 4.29Å; K51-F55 HydrophobicContact CG-CD2 4.47Å; K51-F55 HydrophobicContact CG-CE2 3.57Å; K51-F55 HydrophobicContact CG-CZ 3.93Å; K51-F55 WeakPolarHBondContact O-CD2 3.27Å; K51-F55 WeakPolarHBondContact O-CE2 3.39Å |
| 52 | A | 56.1 | Low | 62.5 | Low | 95 Ų | 95 | 125.7 Ų | 125.7 | 79% | 0.785 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -72 | -26.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A50 | A50-A52 PolarHBondContact O-N 3.03Å |
| 53 | S | 57.1 | Low | 63.4 | Low | 82 Ų | 82 | 128.4 Ų | 128.4 | 57% | 0.573 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -101.7 | -12 | -174.5 | 66.1 | 0 | 0 | 0 | 0 | 114.6 | A50 K51 | A50-S53 PolarHBondContact O-N 3.39Å; A50-S53 PolarHBondContact O-OG 3.47Å; K51-S53 PolarHBondContact O-N 3.36Å |
| 54 | L | 56.9 | Low | 64 | Low | 97 Ų | 97 | 130 Ų | 130 | 51% | 0.508 | 68% | 0.683 | S | S | . | * | H | α-helix | trans | -104 | -8.4 | -179.1 | -65.7 | 176.2 | 0 | 0 | 0 | 113.8 | L45 A50 F56 | L45-L54 HydrophobicContact CD2-CB 4.34Å; L45-L54 HydrophobicContact CD2-CD1 3.66Å; A50-L54 PolarHBondContact O-N 2.9Å; L54-F56 PolarHBondContact O-N 3.37Å |
| 55 | F | 58.4 | Low | 64.7 | Low | 147 Ų | 147 | 128.4 Ų | 128.4 | 65% | 0.645 | 69% | 0.687 | S | S | * | * | | | trans | -75.7 | 67 | 158.2 | -65.2 | -61.8 | 0 | 0 | 0 | 109 | K51 A57 | K51-F55 HydrophobicContact CB-CE2 4.14Å; K51-F55 HydrophobicContact CD-CE2 4.16Å; K51-F55 HydrophobicContact CD-CZ 4.29Å; K51-F55 HydrophobicContact CG-CD2 4.47Å; K51-F55 HydrophobicContact CG-CE2 3.57Å; K51-F55 HydrophobicContact CG-CZ 3.93Å; K51-F55 WeakPolarHBondContact O-CD2 3.27Å; K51-F55 WeakPolarHBondContact O-CE2 3.39Å; F55-A57 VanDerWaalsContact C-N 3.26Å; F55-A57 PolarHBondContact O-N 3.06Å |
| 56 | F | 59.5 | Low | 65.3 | Low | 185 Ų | 185 | 129.9 Ų | 129.9 | 81% | 0.811 | 70% | 0.701 | S | S | * | * | | | trans | -57.7 | 106.7 | 149.1 | -80.2 | -83 | 0 | 0 | 0 | 104.9 | L54 A58 | L54-F56 PolarHBondContact O-N 3.37Å; F56-A58 PolarHBondContact O-N 2.92Å |
| 57 | A | 67.4 | Low | 65.6 | Low | 91 Ų | 91 | 128.2 Ų | 128.2 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | | | trans | -45.3 | 122.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | F55 | F55-A57 VanDerWaalsContact C-N 3.26Å; F55-A57 PolarHBondContact O-N 3.06Å |
| 58 | A | 73.9 | Confident | 66 | Low | 85 Ų | 85 | 128.9 Ų | 128.9 | 70% | 0.702 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 133.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | F56 P60 | F56-A58 PolarHBondContact O-N 2.92Å; A58-P60 VanDerWaalsContact O-N 3.16Å |
| 59 | P | 74.5 | Confident | 66.3 | Low | 117 Ų | 117 | 122.9 Ų | 122.9 | 76% | 0.76 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -50.1 | 131.5 | -176.4 | 20.2 | -31.6 | 0 | 0 | 0 | 107.5 | | |
| 60 | P | 78.1 | Confident | 66.4 | Low | 112 Ų | 112 | 117.7 Ų | 117.7 | 73% | 0.727 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 136.2 | -173.4 | 20.8 | -32.4 | 0 | 0 | 0 | 108.2 | A58 | A58-P60 VanDerWaalsContact O-N 3.16Š|
| 61 | P | 79.1 | Confident | 66.7 | Low | 112 Ų | 112 | 122.1 Ų | 122.1 | 73% | 0.727 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 133.2 | -178.6 | 21.3 | -32 | 0 | 0 | 0 | 108 | K63 | P61-K63 PolarHBondContact O-N 3.42Š|
| 62 | P | 79.4 | Confident | 66.8 | Low | 121 Ų | 121 | 124.1 Ų | 124.1 | 79% | 0.786 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 124 | -174 | 19.8 | -31.4 | 0 | 0 | 0 | 108.5 | R64 | P62-R64 PolarHBondContact O-N 3.32Š|
| 63 | K | 76.9 | Confident | 66.9 | Low | 208 Ų | 208 | 130.2 Ų | 130.2 | 90% | 0.904 | 73% | 0.729 | S | S | * | * | | | trans | -54.6 | 116 | 175.8 | -71.7 | 179.3 | 179.1 | 176.5 | 0 | 106.2 | P61 A65 | P61-K63 PolarHBondContact O-N 3.42Å; K63-A65 PolarHBondContact O-N 3.06Å |
| 64 | R | 72.8 | Confident | 66.5 | Low | 243 Ų | 243 | 131.2 Ų | 131.2 | 92% | 0.917 | 74% | 0.736 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 116.5 | 172.7 | -69.2 | -178.9 | -179.2 | 171.4 | 0.2 | 105.8 | P62 | P62-R64 PolarHBondContact O-N 3.32Š|
| 65 | A | 71.9 | Confident | 66.7 | Low | 82 Ų | 82 | 136.4 Ų | 136.4 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 141.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | K63 S67 | K63-A65 PolarHBondContact O-N 3.06Å; A65-S67 PolarHBondContact O-N 3.31Å |
| 66 | P | 70.7 | Confident | 66.3 | Low | 112 Ų | 112 | 134.4 Ų | 134.4 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -50 | 124.1 | 174.6 | 21.3 | -31.2 | 0 | 0 | 0 | 107.3 | T68 | P66-T68 VanDerWaalsContact C-N 3.31Å; P66-T68 PolarHBondContact O-N 3.37Å |
| 67 | S | 65.7 | Low | 65.7 | Low | 105 Ų | 105 | 133.3 Ų | 133.3 | 73% | 0.734 | 76% | 0.758 | S | S | * | * | | | trans | -57.4 | 106.7 | 169.2 | -176.8 | 0 | 0 | 0 | 0 | 104.8 | A65 T69 | A65-S67 PolarHBondContact O-N 3.31Å; S67-T69 PolarHBondContact O-N 3.36Å |
| 68 | T | 64.8 | Low | 65 | Low | 116 Ų | 116 | 136.2 Ų | 136.2 | 71% | 0.712 | 77% | 0.767 | S | S | * | * | | | trans | -70 | 77.9 | 170.7 | 53.7 | 0 | 0 | 0 | 0 | 105.4 | P66 L70 | P66-T68 VanDerWaalsContact C-N 3.31Å; P66-T68 PolarHBondContact O-N 3.37Å; T68-L70 PolarHBondContact O-N 3.48Å |
| 69 | T | 63.4 | Low | 64.1 | Low | 107 Ų | 107 | 135 Ų | 135 | 66% | 0.656 | 76% | 0.757 | S | S | * | * | | | trans | -63 | 90.8 | 155.2 | -58.4 | 0 | 0 | 0 | 0 | 104.7 | S67 T71 | S67-T69 PolarHBondContact O-N 3.36Å; T69-T71 PolarHBondContact O-N 3.23Å |
| 70 | L | 58.7 | Low | 63.1 | Low | 124 Ų | 124 | 137.8 Ų | 137.8 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | | | trans | -69.1 | 78 | 176.8 | -142.3 | 166.3 | 0 | 0 | 0 | 106 | T68 L72 | T68-L70 PolarHBondContact O-N 3.48Å; L70-L72 HydrophobicContact CD2-CB 4.43Å; L70-L72 HydrophobicContact CD2-CD1 3.94Å; L70-L72 HydrophobicContact CD2-CD2 3.23Å; L70-L72 HydrophobicContact CD2-CG 3.23Å; L70-L72 PolarHBondContact O-N 3.15Å |
| 71 | T | 61.3 | Low | 61.6 | Low | 122 Ų | 122 | 139.6 Ų | 139.6 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | -72.8 | 86.5 | 164.2 | 25.6 | 0 | 0 | 0 | 0 | 106.8 | T69 R73 | T69-T71 PolarHBondContact O-N 3.23Å; T71-R73 PolarHBondContact O-N 3.36Å |
| 72 | L | 56.8 | Low | 60.5 | Low | 144 Ų | 144 | 143.9 Ų | 143.9 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | | | trans | -64.1 | 73.4 | 160.1 | -66.8 | 172.2 | 0 | 0 | 0 | 108.1 | L70 | L70-L72 HydrophobicContact CD2-CB 4.43Å; L70-L72 HydrophobicContact CD2-CD1 3.94Å; L70-L72 HydrophobicContact CD2-CD2 3.23Å; L70-L72 HydrophobicContact CD2-CG 3.23Å; L70-L72 PolarHBondContact O-N 3.15Å |
| 73 | R | 57.9 | Low | 59.4 | Low | 223 Ų | 223 | 145.1 Ų | 145.1 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | -97.6 | 84.6 | 156 | -145.9 | -171.6 | -171.9 | 131.1 | 1.7 | 106 | T71 K75 | T71-R73 PolarHBondContact O-N 3.36Å; R73-K75 VanDerWaalsContact C-N 3.34Å; R73-K75 PolarHBondContact O-N 2.52Å |
| 74 | S | 48.7 | Very low | 57.9 | Low | 102 Ų | 102 | 141.9 Ų | 141.9 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | | | trans | -54.5 | 101.3 | 166.1 | -42 | 0 | 0 | 0 | 0 | 107.3 | S76 | S74-S76 PolarHBondContact O-N 2.94Š|
| 75 | K | 59.9 | Low | 56.5 | Low | 206 Ų | 206 | 137.6 Ų | 137.6 | 90% | 0.896 | 76% | 0.76 | S | S | * | * | | | trans | -75.1 | 102.1 | 163.9 | -83.6 | -176.5 | 171.7 | -175.1 | 0 | 107 | R73 | R73-K75 VanDerWaalsContact C-N 3.34Å; R73-K75 PolarHBondContact O-N 2.52Å |
| 76 | S | 51.8 | Low | 54.9 | Low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 76% | 0.76 | S | S | * | * | | | trans | -147.6 | 137.5 | 150.2 | 57.1 | 0 | 0 | 0 | 0 | 107.9 | S74 | S74-S76 PolarHBondContact O-N 2.94Š|
| 77 | M | 45.4 | Very low | 53.7 | Low | 162 Ų | 162 | 141.5 Ų | 141.5 | 80% | 0.798 | 76% | 0.762 | S | S | * | * | | | trans | 87.9 | 66.3 | 179.2 | -137.2 | 163.2 | 76.8 | 0 | 0 | 114.9 | A79 | M77-A79 HydrophobicContact CG-CB 4.41Å; M77-A79 PolarHBondContact O-N 3.15Å |
| 78 | T | 53.8 | Low | 52.9 | Low | 152 Ų | 152 | 141.7 Ų | 141.7 | 93% | 0.933 | 76% | 0.761 | S | S | * | * | | | trans | -47.5 | 93.7 | 134.7 | 41 | 0 | 0 | 0 | 0 | 109.6 | | |
| 79 | A | 54.2 | Low | 51.5 | Low | 59 Ų | 59 | 143.6 Ų | 143.6 | 49% | 0.488 | 77% | 0.766 | S | S | . | * | | | trans | -171.4 | 146.3 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | M77 | M77-A79 HydrophobicContact CG-CB 4.41Å; M77-A79 PolarHBondContact O-N 3.15Å |
| 80 | E | 53.7 | Low | 50.4 | Low | 175 Ų | 175 | 147.3 Ų | 147.3 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 88.1 | 120.4 | 176.6 | -43.1 | -53.3 | 151.8 | 0 | 0 | 117 | | |
| 81 | L | 46.5 | Very low | 49.9 | Very low | 151 Ų | 151 | 146.6 Ų | 146.6 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | | | trans | 99.3 | 52.7 | 164.1 | -58.1 | 159.7 | 0 | 0 | 0 | 117.4 | E83 | L81-E83 PolarHBondContact O-N 2.91Š|
| 82 | E | 57 | Low | 48.5 | Very low | 202 Ų | 202 | 145.2 Ų | 145.2 | 94% | 0.944 | 78% | 0.779 | S | S | * | * | | | trans | -74.2 | 63.3 | 136.1 | -62.3 | -177.7 | -175.5 | 0 | 0 | 110.4 | | |
| 83 | E | 55.9 | Low | 47.6 | Very low | 147 Ų | 147 | 149.1 Ų | 149.1 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | | | trans | -175.2 | 107.4 | 168.7 | -124.4 | -171.2 | 142.4 | 0 | 0 | 105.6 | L81 | L81-E83 PolarHBondContact O-N 2.91Š|
| 84 | L | 44.6 | Very low | 46.6 | Very low | 140 Ų | 140 | 143.6 Ų | 143.6 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | | | | -166.6 | 108.4 | 68.9 | -76.8 | 163.8 | 0 | 0 | 0 | 107.8 | V86 | L84-V86 PolarHBondContact O-N 3.37Š|
| 85 | V | 42.9 | Very low | 46.1 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | | | trans | -82.5 | 97.2 | 155.6 | 172.1 | 0 | 0 | 0 | 0 | 106.4 | | |
| 86 | V | 39.9 | Very low | 44.9 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 67% | 0.673 | 78% | 0.776 | S | S | * | * | | | trans | -136.2 | 92.8 | 163 | -174.4 | 0 | 0 | 0 | 0 | 110.2 | L84 | L84-V86 PolarHBondContact O-N 3.37Š|
| 87 | Q | 43.7 | Very low | 44.5 | Very low | 166 Ų | 166 | 142.2 Ų | 142.2 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | | | trans | 67.6 | 145.5 | 140.3 | -71.8 | -162 | 51.4 | 0 | 0 | 123.1 | | |
| 88 | P | 49 | Very low | 44.6 | Very low | 108 Ų | 108 | 138.9 Ų | 138.9 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | | | trans | -97.6 | 127.9 | -173.8 | 35.6 | -23.4 | 0 | 0 | 0 | 111.6 | | |
| 89 | L | 37.1 | Very low | 44.4 | Very low | 157 Ų | 157 | 139.3 Ų | 139.3 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | | | trans | -157 | 106.3 | 164.5 | -104.7 | 124.6 | 0 | 0 | 0 | 111.1 | | |
| 90 | H | 40.2 | Very low | 43.7 | Very low | 184 Ų | 184 | 148 Ų | 148 | 85% | 0.852 | 80% | 0.796 | S | S | * | * | | | trans | -69.2 | 146.8 | 148.9 | -92.7 | -74.7 | 0 | 0 | 0 | 108 | | |
| 91 | P | 46.7 | Very low | 42.8 | Very low | 109 Ų | 109 | 143.3 Ų | 143.3 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | | | | -151.4 | 170.8 | 90.2 | 36.1 | -16.7 | 0 | 0 | 0 | 116.2 | | |
| 92 | A | 33.7 | Very low | 42.3 | Very low | 94 Ų | 94 | 140.6 Ų | 140.6 | 78% | 0.777 | 79% | 0.794 | S | S | * | * | | | trans | 72.5 | 147.3 | 148 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 93 | R | 37.5 | Very low | 41.5 | Very low | 226 Ų | 226 | 141.2 Ų | 141.2 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | cis | -179.5 | 146 | -19.8 | -151.8 | -171.5 | -170.4 | -179.9 | 2.4 | 104.2 | | |
| 94 | T | 36.9 | Very low | 40.4 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | | | trans | 73.1 | 127.3 | 147.1 | 3.8 | 0 | 0 | 0 | 0 | 123.1 | | |
| 95 | Q | 38.6 | Very low | 40.3 | Very low | 190 Ų | 190 | 142.4 Ų | 142.4 | 89% | 0.888 | 81% | 0.807 | S | S | * | * | | | | 100.8 | 134.6 | 124.1 | -107.1 | -179.8 | 42.4 | 0 | 0 | 122.9 | | |
| 96 | G | 33.8 | Very low | 39.9 | Very low | 73 Ų | 73 | 141 Ų | 141 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | | | trans | 89.6 | 136.7 | 154.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 97 | S | 42.9 | Very low | 40 | Very low | 122 Ų | 122 | 140.2 Ų | 140.2 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | | | cis | -170.6 | 154.6 | 13.7 | 51.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 98 | A | 47.5 | Very low | 40.2 | Very low | 93 Ų | 93 | 140.6 Ų | 140.6 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | | | trans | -97.9 | 132.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 99 | L | 50.3 | Low | 40 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | | | trans | -156.5 | 104.3 | 160.9 | -68.3 | 178.6 | 0 | 0 | 0 | 107.5 | | |
| 100 | R | 38.2 | Very low | 40.9 | Very low | 241 Ų | 241 | 140.9 Ų | 140.9 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | | | | 71.6 | 123.5 | 76.8 | -159.4 | -162 | -62.7 | -95.8 | 4.3 | 115.1 | | |
| 101 | G | 35.5 | Very low | 41.4 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 78% | 0.784 | 80% | 0.802 | S | S | * | * | | | trans | 95 | 147.3 | 151.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 102 | A | 37.3 | Very low | 41.6 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 78% | 0.777 | 81% | 0.811 | S | S | * | * | | | cis | -163.1 | 153.3 | 0.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 103 | K | 39 | Very low | 42.3 | Very low | 215 Ų | 215 | 141.2 Ų | 141.2 | 94% | 0.935 | 81% | 0.811 | S | S | * | * | | | trans | -79.4 | 134.5 | 170 | -95.9 | 174.2 | 171.4 | 173.8 | 0 | 109.4 | | |
| 104 | C | 33.8 | Very low | 43.1 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | -101.4 | 115.5 | 172.6 | -57.5 | 0 | 0 | 0 | 0 | 109.9 | | |
| 105 | E | 41.3 | Very low | 43.6 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 90% | 0.902 | 81% | 0.81 | S | S | * | * | | | trans | -89.3 | 131.1 | 168.3 | -176 | 166.2 | 105.3 | 0 | 0 | 108.1 | | |
| 106 | C | 35.8 | Very low | 44.3 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | | | trans | -119.7 | 114.8 | 174.8 | -64.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 107 | A | 40.8 | Very low | 44.9 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 79% | 0.793 | 79% | 0.792 | S | S | * | * | | | trans | -69.6 | 153.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 108 | Q | 48.5 | Very low | 45.2 | Very low | 173 Ų | 173 | 132.8 Ų | 132.8 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | trans | -61.9 | 156.4 | 175.1 | -64.5 | -82.7 | -40.1 | 0 | 0 | 113.3 | | |
| 109 | P | 43.8 | Very low | 45.2 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | | | trans | -132.9 | 132 | 137.4 | 30.4 | -14.4 | 0 | 0 | 0 | 113.9 | | |
| 110 | L | 55.7 | Low | 45 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | trans | -80.4 | -168.8 | 162.9 | -66.1 | 165.5 | 0 | 0 | 0 | 109.7 | | |
| 111 | P | 50.8 | Low | 45.4 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | | | | -127.6 | 103.5 | -66.3 | 34.2 | -16.1 | 0 | 0 | 0 | 110.1 | | |
| 112 | L | 51.6 | Low | 46.2 | Very low | 172 Ų | 172 | 133 Ų | 133 | 90% | 0.901 | 77% | 0.768 | S | S | * | * | | | trans | -121.3 | 4 | 179.5 | -82.5 | 166.7 | 0 | 0 | 0 | 114.7 | | |
| 113 | T | 47.7 | Very low | 46.5 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | | | trans | -93.9 | -2.9 | -166 | -27.2 | 0 | 0 | 0 | 0 | 114.6 | | |
| 114 | I | 54.4 | Low | 46.5 | Very low | 141 Ų | 141 | 135.8 Ų | 135.8 | 72% | 0.723 | 76% | 0.763 | S | S | * | * | S | Bend | trans | -76.6 | -29.1 | -170.8 | -60.8 | 175.9 | 0 | 0 | 0 | 112.5 | A116 | I114-A116 PolarHBondContact O-N 3.21Š|
| 115 | S | 49.1 | Very low | 46.9 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -77.2 | -21 | -172.3 | -66 | 0 | 0 | 0 | 0 | 115.5 | A117 | S115-A117 VanDerWaalsContact C-N 3.33Å; S115-A117 PolarHBondContact O-N 3.3Å |
| 116 | A | 52.1 | Low | 47.1 | Very low | 81 Ų | 81 | 134.6 Ų | 134.6 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -77.1 | -18.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | I114 | I114-A116 PolarHBondContact O-N 3.21Š|
| 117 | A | 45.8 | Very low | 47 | Very low | 71 Ų | 71 | 134.9 Ų | 134.9 | 59% | 0.587 | 76% | 0.756 | S | S | * | * | G | 310 helix | trans | -77.7 | -22.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | S115 | S115-A117 VanDerWaalsContact C-N 3.33Å; S115-A117 PolarHBondContact O-N 3.3Å |
| 118 | L | 50.6 | Low | 47.3 | Very low | 137 Ų | 137 | 141 Ų | 141 | 72% | 0.717 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -83.2 | -13.4 | -176.4 | -79.2 | 162 | 0 | 0 | 0 | 114.1 | | |
| 119 | A | 47.1 | Very low | 46.8 | Very low | 74 Ų | 74 | 138.8 Ų | 138.8 | 61% | 0.612 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -80.9 | -22.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 120 | F | 45.8 | Very low | 46.5 | Very low | 172 Ų | 172 | 137 Ų | 137 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -80.5 | -21 | -173.9 | -141.7 | -94.6 | 0 | 0 | 0 | 113.6 | R122 | F120-R122 VanDerWaalsContact C-N 3.28Å; F120-R122 PolarHBondContact O-N 3.43Å |
| 121 | S | 47.7 | Very low | 45.8 | Very low | 103 Ų | 103 | 134.9 Ų | 134.9 | 72% | 0.72 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -78.5 | -4.6 | -177.8 | -55.9 | 0 | 0 | 0 | 0 | 114.6 | | |
| 122 | R | 52 | Low | 45.4 | Very low | 225 Ų | 225 | 134.8 Ų | 134.8 | 85% | 0.849 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -99.1 | -0.9 | -179.7 | -61.4 | -159.9 | -152.9 | -101.8 | 5.6 | 114.8 | F120 | F120-R122 VanDerWaalsContact C-N 3.28Å; F120-R122 PolarHBondContact O-N 3.43Å |
| 123 | L | 43.1 | Very low | 44.9 | Very low | 152 Ų | 152 | 134.3 Ų | 134.3 | 80% | 0.796 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -114.3 | 9.4 | -173.5 | -109.1 | 91.3 | 0 | 0 | 0 | 115.4 | | |
| 124 | W | 38.8 | Very low | 44.6 | Very low | 216 Ų | 216 | 133.4 Ų | 133.4 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | | | trans | -92.7 | 121.8 | 178.1 | -155 | -92.6 | 0 | 0 | 0 | 111.9 | Q126 | W124-Q126 PolarHBondContact O-N 3.33Š|
| 125 | P | 43.1 | Very low | 44 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 63% | 0.63 | 76% | 0.755 | S | S | * | * | | | trans | -68.1 | 128.7 | -179.2 | -15.2 | 29.1 | 0 | 0 | 0 | 111.3 | C127 | P125-C127 PolarHBondContact O-N 3.46Š|
| 126 | Q | 44.8 | Very low | 43.7 | Very low | 191 Ų | 191 | 135.6 Ų | 135.6 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | | | trans | -69.5 | 114.7 | 170.1 | -73.1 | -169.6 | 30.4 | 0 | 0 | 110 | W124 R128 | W124-Q126 PolarHBondContact O-N 3.33Å; Q126-R128 PolarHBondContact O-N 3.45Å |
| 127 | C | 33.7 | Very low | 43.7 | Very low | 127 Ų | 127 | 136 Ų | 136 | 86% | 0.858 | 76% | 0.761 | S | S | * | * | | | trans | -72.9 | 106 | 164.8 | -66.6 | 0 | 0 | 0 | 0 | 109 | P125 | P125-C127 PolarHBondContact O-N 3.46Š|
| 128 | R | 46.5 | Very low | 43.8 | Very low | 224 Ų | 224 | 138.7 Ų | 138.7 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | | | trans | -87.6 | 125.3 | 173 | -166.3 | -170.9 | -153.6 | -170 | 7 | 109 | Q126 | Q126-R128 PolarHBondContact O-N 3.45Š|
| 129 | P | 39 | Very low | 43.6 | Very low | 128 Ų | 128 | 137 Ų | 137 | 83% | 0.831 | 78% | 0.779 | S | S | * | * | | | trans | -87.3 | 111.7 | 158.9 | 10.5 | 6.4 | 0 | 0 | 0 | 108.3 | | |
| 130 | A | 37.5 | Very low | 43.7 | Very low | 83 Ų | 83 | 138.1 Ų | 138.1 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | | | trans | -108.3 | 113.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 131 | S | 40.6 | Very low | 44 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | | | trans | -166.3 | 116.2 | 141.6 | -173.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 132 | A | 41.7 | Very low | 44 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | | | trans | -71.6 | 132.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 133 | I | 41.3 | Very low | 43.8 | Very low | 162 Ų | 162 | 140.1 Ų | 140.1 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | | | trans | -143.8 | 110 | 148.6 | -33.9 | 173.2 | 0 | 0 | 0 | 106.8 | | |
| 134 | S | 41.1 | Very low | 44 | Very low | 105 Ų | 105 | 140 Ų | 140 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | | | trans | -67.7 | 161.3 | 165 | -165.9 | 0 | 0 | 0 | 0 | 109.4 | | |
| 135 | T | 43.6 | Very low | 44.7 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 71% | 0.712 | 81% | 0.81 | S | S | * | * | | | trans | 112.5 | 104.2 | 154.2 | -44.3 | 0 | 0 | 0 | 0 | 116 | | |
| 136 | E | 42.3 | Very low | 45.1 | Very low | 181 Ų | 181 | 142.4 Ų | 142.4 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | | | trans | 85.7 | 130.2 | 134.6 | -152.9 | 169.5 | 130 | 0 | 0 | 120.3 | | |
| 137 | A | 51.3 | Low | 45.3 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 74% | 0.736 | 81% | 0.812 | S | S | * | * | | | trans | -74.2 | 158.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 138 | P | 47.7 | Very low | 46.2 | Very low | 129 Ų | 129 | 141.7 Ų | 141.7 | 84% | 0.838 | 82% | 0.815 | S | S | * | * | | | trans | -133.2 | 115 | 153.5 | 32.6 | -15.9 | 0 | 0 | 0 | 112.1 | | |
| 139 | A | 46.6 | Very low | 46.4 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | | | trans | -93.9 | 141.9 | 151.8 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 140 | A | 49.3 | Very low | 46.8 | Very low | 98 Ų | 98 | 138 Ų | 138 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | | | trans | 84.9 | 84 | 172 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 141 | L | 52.6 | Low | 47.4 | Very low | 171 Ų | 171 | 137.6 Ų | 137.6 | 90% | 0.895 | 82% | 0.819 | S | S | * | * | | | trans | -162.6 | 63.7 | 144.5 | -143.9 | 116 | 0 | 0 | 0 | 114 | | |
| 142 | E | 47.2 | Very low | 47.8 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 83% | 0.827 | 83% | 0.825 | S | S | * | * | | | trans | -150 | 63.6 | 175.4 | -106.3 | -88 | 118.6 | 0 | 0 | 110.8 | | |
| 143 | Q | 47.9 | Very low | 47.7 | Very low | 195 Ų | 195 | 145.3 Ų | 145.3 | 91% | 0.911 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -138.8 | 4.8 | 170.8 | -76.6 | -158.8 | 16.7 | 0 | 0 | 115.9 | | |
| 144 | V | 47.6 | Very low | 48.3 | Very low | 148 Ų | 148 | 142.3 Ų | 142.3 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | S | Bend | trans | -105.3 | -7.3 | -172.7 | 178.3 | 0 | 0 | 0 | 0 | 114.3 | | |
| 145 | R | 54.3 | Low | 48.7 | Very low | 230 Ų | 230 | 145.5 Ų | 145.5 | 87% | 0.868 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -99.4 | 0.1 | -165.5 | -145 | -179.8 | -103.9 | -156.6 | -2 | 117.4 | | |
| 146 | C | 50.6 | Low | 48.7 | Very low | 134 Ų | 134 | 150.6 Ų | 150.6 | 91% | 0.905 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -134.3 | 41.9 | -169.7 | -67.4 | 0 | 0 | 0 | 0 | 115.8 | | |
| 147 | G | 49.4 | Very low | 49 | Very low | 65 Ų | 65 | 153.7 Ų | 153.7 | 67% | 0.67 | 84% | 0.836 | S | S | * | * | | | trans | -161.4 | 74.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 148 | R | 51.8 | Low | 49.1 | Very low | 239 Ų | 239 | 154.2 Ų | 154.2 | 90% | 0.902 | 84% | 0.84 | S | S | * | * | | | trans | -172.2 | 82.9 | 148.1 | -113.5 | -176.2 | -76.5 | -110.1 | 3.2 | 111.6 | | |
| 149 | L | 51.5 | Low | 49.3 | Very low | 185 Ų | 185 | 154 Ų | 154 | 97% | 0.969 | 84% | 0.839 | S | S | * | * | | | trans | -138.7 | 74.6 | 156.7 | -72 | 179.1 | 0 | 0 | 0 | 107.8 | | |
| 150 | A | 46.6 | Very low | 49.9 | Very low | 90 Ų | 90 | 160.4 Ų | 160.4 | 74% | 0.744 | 84% | 0.842 | S | S | * | * | | | trans | -143.8 | 107.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 151 | G | 50.9 | Low | 50.4 | Low | 73 Ų | 73 | 162 Ų | 162 | 75% | 0.753 | 84% | 0.844 | S | S | * | * | | | trans | -73.8 | 132.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 152 | E | 47.9 | Very low | 50.7 | Low | 183 Ų | 183 | 161.7 Ų | 161.7 | 86% | 0.855 | 84% | 0.842 | S | S | * | * | | | trans | -140.1 | 116.8 | 170.3 | -72.1 | -66.2 | 143.5 | 0 | 0 | 107.5 | | |
| 153 | H | 39.6 | Very low | 50.9 | Low | 181 Ų | 181 | 165.4 Ų | 165.4 | 84% | 0.838 | 85% | 0.849 | S | S | * | * | | | trans | -112.8 | 147.1 | 167.5 | -163.1 | -97 | 0 | 0 | 0 | 107.2 | | |
| 154 | P | 55.2 | Low | 51 | Low | 99 Ų | 99 | 159 Ų | 159 | 64% | 0.643 | 84% | 0.836 | S | S | * | * | | | trans | -98 | 149.6 | -134.2 | 36.7 | -32.1 | 0 | 0 | 0 | 113.9 | | |
| 155 | L | 48.9 | Very low | 51.4 | Low | 173 Ų | 173 | 161.8 Ų | 161.8 | 91% | 0.906 | 86% | 0.856 | S | S | * | * | | | trans | -112.1 | 106.4 | 168.8 | -73.4 | 172.4 | 0 | 0 | 0 | 111.3 | | |
| 156 | R | 42.8 | Very low | 51.2 | Low | 223 Ų | 223 | 158.4 Ų | 158.4 | 84% | 0.842 | 86% | 0.856 | S | S | * | * | | | trans | 28.7 | 119.7 | 142.2 | -72 | -161.3 | 167.6 | -161 | 0.8 | 120.2 | | |
| 157 | R | 50.3 | Low | 51.3 | Low | 245 Ų | 245 | 159.6 Ų | 159.6 | 93% | 0.925 | 85% | 0.853 | S | S | * | * | | | trans | 36.6 | 124.8 | 130.6 | -72.7 | -177 | 178.2 | 169.9 | -0.3 | 119.3 | | |
| 158 | A | 52.9 | Low | 51.4 | Low | 100 Ų | 100 | 164.9 Ų | 164.9 | 83% | 0.826 | 86% | 0.863 | S | S | * | * | | | trans | -155.6 | 160.3 | 138.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 159 | P | 51.8 | Low | 51.3 | Low | 124 Ų | 124 | 160.5 Ų | 160.5 | 81% | 0.805 | 86% | 0.861 | S | S | * | * | P | Polyproline II helix | trans | -97.1 | 161.1 | -146.2 | 34.9 | -30.3 | 0 | 0 | 0 | 115.9 | | |
| 160 | R | 59.7 | Low | 51.3 | Low | 236 Ų | 236 | 159 Ų | 159 | 89% | 0.891 | 85% | 0.854 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 144.4 | 174.1 | -64.4 | 179.6 | 174.3 | 172 | -2.7 | 112.5 | | |
| 161 | P | 60 | Low | 51.6 | Low | 130 Ų | 130 | 163.6 Ų | 163.6 | 84% | 0.844 | 86% | 0.862 | S | S | * | * | P | Polyproline II helix | trans | -90.3 | 123.7 | 153.1 | 2.1 | 17.2 | 0 | 0 | 0 | 110.3 | | |
| 162 | L | 57.1 | Low | 51.7 | Low | 165 Ų | 165 | 170.1 Ų | 170.1 | 86% | 0.864 | 87% | 0.869 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 157.4 | 156.7 | -79 | 161 | 0 | 0 | 0 | 109.6 | | |
| 163 | R | 51.2 | Low | 52 | Low | 255 Ų | 255 | 169.1 Ų | 169.1 | 96% | 0.962 | 87% | 0.87 | S | S | * | * | | | trans | 87 | 134.4 | 156.2 | -136.9 | 174.1 | -164.2 | -135.8 | 1.3 | 114.9 | | |
| 164 | G | 50.8 | Low | 53 | Low | 62 Ų | 62 | 168.1 Ų | 168.1 | 64% | 0.639 | 87% | 0.873 | S | S | * | * | | | cis | 173.4 | -151.9 | 8.1 | 0 | 0 | 0 | 0 | 0 | 106.2 | | |
| 165 | P | 55.6 | Low | 52.8 | Low | 205 Ų | 205 | 174.4 Ų | 174.4 | 100% | 1.331 | 89% | 0.894 | S | S | * | * | | | cis | -89.1 | 0 | -29.4 | 34.6 | -24.4 | 0 | 0 | 0 | 113.1 | | |