| 1 | M | 45.5 | Very low | 51.8 | Low | 244 Ų | 244 | 148.2 Ų | 148.2 | 100% | 1.202 | 81% | 0.814 | S | S | * | * | | | | 0 | 114 | 0 | -62.5 | 170.2 | -172.1 | 0 | 0 | 105.3 | | |
| 2 | V | 41.7 | Very low | 52 | Low | 144 Ų | 144 | 146.5 Ų | 146.5 | 87% | 0.873 | 80% | 0.802 | S | S | * | * | | | cis | -133.9 | 131.6 | 41.2 | 174.4 | 0 | 0 | 0 | 0 | 109.4 | | |
| 3 | Q | 44.1 | Very low | 52.2 | Low | 181 Ų | 181 | 141.8 Ų | 141.8 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | trans | -82.9 | 112.2 | 177.7 | 177.1 | 172.9 | -22.8 | 0 | 0 | 109 | | |
| 4 | A | 55.8 | Low | 52 | Low | 86 Ų | 86 | 137.9 Ų | 137.9 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 119.8 | 169 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 5 | S | 49.1 | Very low | 51.7 | Low | 116 Ų | 116 | 140.8 Ų | 140.8 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 138.3 | -176.4 | -73.7 | 0 | 0 | 0 | 0 | 113.8 | | |
| 6 | G | 63.3 | Low | 51.8 | Low | 74 Ų | 74 | 140.3 Ų | 140.3 | 76% | 0.763 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 142.5 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 7 | H | 51.1 | Low | 51.8 | Low | 157 Ų | 157 | 136.1 Ų | 136.1 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -155 | -32.2 | 149.7 | -165.6 | 57.3 | 0 | 0 | 0 | 115 | | |
| 8 | R | 55.8 | Low | 51.7 | Low | 170 Ų | 170 | 136.4 Ų | 136.4 | 64% | 0.642 | 75% | 0.754 | S | S | * | * | | | trans | -150.3 | 54.4 | -176.5 | -63.9 | -171.9 | -172.5 | -173 | 2.3 | 115.6 | G10 | R8-G10 PolarHBondContact O-N 3.04Š|
| 9 | R | 54.9 | Low | 51.8 | Low | 253 Ų | 253 | 133.8 Ų | 133.8 | 96% | 0.955 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | 14.2 | 173.7 | -81.1 | -176.4 | 170.6 | 175.3 | -3.1 | 114.7 | | |
| 10 | G | 54.8 | Low | 52.1 | Low | 70 Ų | 70 | 130.2 Ų | 130.2 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -146 | 10.1 | -171.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | R8 | R8-G10 PolarHBondContact O-N 3.04Š|
| 11 | L | 53.4 | Low | 52.3 | Low | 135 Ų | 135 | 130 Ų | 130 | 71% | 0.707 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -129.1 | 7.6 | -179.2 | -74.2 | 173.4 | 0 | 0 | 0 | 114.9 | | |
| 12 | L | 54.8 | Low | 52.8 | Low | 128 Ų | 128 | 124.7 Ų | 124.7 | 67% | 0.67 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -116.1 | 20.5 | -173.7 | -72 | 172.8 | 0 | 0 | 0 | 114.4 | | |
| 13 | A | 55 | Low | 53.6 | Low | 85 Ų | 85 | 121.5 Ų | 121.5 | 70% | 0.702 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -147.5 | 78.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 14 | P | 48.2 | Very low | 54.4 | Low | 87 Ų | 87 | 117.7 Ų | 117.7 | 57% | 0.565 | 68% | 0.684 | S | S | * | * | S | Bend | | -133.9 | 15.5 | 110 | 38.1 | -27.8 | 0 | 0 | 0 | 113.5 | I16 A17 | P14-I16 PolarHBondContact O-N 2.71Å; P14-I16 VanDerWaalsContact O-N 3.13Å; P14-A17 PolarHBondContact O-N 2.95Å |
| 15 | W | 48.8 | Very low | 54.7 | Low | 182 Ų | 182 | 119.7 Ų | 119.7 | 69% | 0.689 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -12.4 | 175.7 | -72.7 | 92 | 0 | 0 | 0 | 114.2 | | |
| 16 | I | 52.6 | Low | 55.4 | Low | 133 Ų | 133 | 116.9 Ų | 116.9 | 68% | 0.682 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.4 | -17.9 | 174.8 | -53.5 | 172.7 | 0 | 0 | 0 | 110.8 | P14 S19 | P14-I16 PolarHBondContact O-N 2.71Å; P14-I16 VanDerWaalsContact O-N 3.13Å; I16-S19 PolarHBondContact O-OG 3.44Å |
| 17 | A | 51.2 | Low | 55.7 | Low | 69 Ų | 69 | 121 Ų | 121 | 57% | 0.57 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -85.3 | -13.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | P14 S19 A20 | P14-A17 PolarHBondContact O-N 2.95Å; A17-S19 PolarHBondContact O-N 3.35Å; A17-A20 WeakPolarHBondContact O-CB 3.15Å; A17-A20 PolarHBondContact O-N 2.94Å |
| 18 | L | 50.4 | Low | 57 | Low | 141 Ų | 141 | 117.8 Ų | 117.8 | 74% | 0.738 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -70.7 | -14.7 | 167.5 | -104.8 | 86.7 | 0 | 0 | 0 | 113 | A20 | L18-A20 VanDerWaalsContact C-N 3.33Š|
| 19 | S | 53.2 | Low | 57.9 | Low | 88 Ų | 88 | 112.5 Ų | 112.5 | 62% | 0.615 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -96.1 | 24.3 | 169.8 | 43.6 | 0 | 0 | 0 | 0 | 112.5 | I16 A17 | I16-S19 PolarHBondContact O-OG 3.44Å; A17-S19 PolarHBondContact O-N 3.35Å |
| 20 | A | 57.7 | Low | 58.9 | Low | 60 Ų | 60 | 103.4 Ų | 103.4 | 50% | 0.496 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -63.1 | 134.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | A17 L18 H22 | A17-A20 WeakPolarHBondContact O-CB 3.15Å; A17-A20 PolarHBondContact O-N 2.94Å; L18-A20 VanDerWaalsContact C-N 3.33Å; A20-H22 PolarHBondContact O-N 3.41Å |
| 21 | P | 57.7 | Low | 60.1 | Low | 127 Ų | 127 | 105.9 Ų | 105.9 | 83% | 0.825 | 61% | 0.613 | S | S | * | * | | | trans | -60.6 | 107.2 | -177.4 | 23.2 | -31.8 | 0 | 0 | 0 | 109.5 | | |
| 22 | H | 54.6 | Low | 61.5 | Low | 133 Ų | 133 | 104 Ų | 104 | 62% | 0.616 | 61% | 0.607 | S | S | * | * | | | trans | -64.5 | 139.4 | 177.6 | -125.6 | -123.9 | 0 | 0 | 0 | 109.4 | A20 C26 | A20-H22 PolarHBondContact O-N 3.41Å; H22-C26 HydrophobicContact CB-CB 3.65Å; H22-C26 WeakPolarHBondContact CB-SG 3.23Å; H22-C26 PolarHBondContact ND1-SG 3.49Å |
| 23 | P | 58.5 | Low | 62.8 | Low | 77 Ų | 77 | 102.1 Ų | 102.1 | 50% | 0.5 | 60% | 0.603 | S | S | . | * | | | trans | -54.1 | 162.3 | 179.4 | 22 | -32.2 | 0 | 0 | 0 | 111.6 | I25 C26 | P23-I25 PolarHBondContact O-N 3.35Å; P23-C26 PolarHBondContact O-N 2.96Å |
| 24 | P | 60.9 | Low | 63.7 | Low | 101 Ų | 101 | 103.9 Ų | 103.9 | 66% | 0.656 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.2 | -23.4 | -166.6 | 12.3 | -32.2 | 0 | 0 | 0 | 117.8 | C26 K27 V28 | P24-C26 VanDerWaalsContact C-N 3.28Å; P24-C26 PolarHBondContact O-N 3.35Å; P24-K27 VanDerWaalsContact O-N 3.07Å; P24-K27 PolarHBondContact O-N 3.4Å; P24-K27 WeakPolarHBondContact O-CB 3.25Å; P24-V28 PolarHBondContact O-N 2.93Å; P24-V28 VanDerWaalsContact O-N 3.15Å |
| 25 | I | 63.1 | Low | 65.2 | Low | 127 Ų | 127 | 107.8 Ų | 107.8 | 65% | 0.651 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -51.3 | -39.7 | 171.4 | -59.9 | 165.5 | 0 | 0 | 0 | 112.7 | P23 K27 V28 A29 | P23-I25 PolarHBondContact O-N 3.35Å; I25-K27 VanDerWaalsContact C-N 3.34Å; I25-K27 PolarHBondContact O-N 3.36Å; I25-V28 PolarHBondContact O-N 2.99Å; I25-A29 PolarHBondContact O-N 3.48Å |
| 26 | C | 64.3 | Low | 66.7 | Low | 57 Ų | 57 | 108.4 Ų | 108.4 | 39% | 0.385 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -70.7 | -29 | 177.7 | -83.8 | 0 | 0 | 0 | 0 | 113.6 | H22 P23 P24 S30 | H22-C26 HydrophobicContact CB-CB 3.65Å; H22-C26 WeakPolarHBondContact CB-SG 3.23Å; H22-C26 PolarHBondContact ND1-SG 3.49Å; P23-C26 PolarHBondContact O-N 2.96Å; P24-C26 VanDerWaalsContact C-N 3.28Å; P24-C26 PolarHBondContact O-N 3.35Å; C26-S30 VanDerWaalsContact O-CB 3.31Å; C26-S30 WeakPolarHBondContact O-CB 3.45Å; C26-S30 PolarHBondContact O-N 3.01Å |
| 27 | K | 68.7 | Low | 68.1 | Low | 162 Ų | 162 | 112.9 Ų | 112.9 | 70% | 0.704 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -67.5 | -42.3 | 171.6 | -70.8 | -176 | 175.8 | 176 | 0 | 110.6 | P24 I25 S30 L31 | P24-K27 VanDerWaalsContact O-N 3.07Å; P24-K27 PolarHBondContact O-N 3.4Å; P24-K27 WeakPolarHBondContact O-CB 3.25Å; I25-K27 VanDerWaalsContact C-N 3.34Å; I25-K27 PolarHBondContact O-N 3.36Å; K27-S30 PolarHBondContact O-N 3.04Å; K27-L31 WeakPolarHBondContact O-CB 3.42Å; K27-L31 VanDerWaalsContact O-CG 3.32Å; K27-L31 WeakPolarHBondContact O-CG 3.43Å; K27-L31 PolarHBondContact O-N 2.98Å |
| 28 | V | 77.9 | Confident | 68.9 | Low | 89 Ų | 89 | 113.6 Ų | 113.6 | 54% | 0.539 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -61.8 | -48.2 | 176.1 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | P24 I25 S30 L31 V32 | P24-V28 PolarHBondContact O-N 2.93Å; P24-V28 VanDerWaalsContact O-N 3.15Å; I25-V28 PolarHBondContact O-N 2.99Å; V28-S30 VanDerWaalsContact C-N 3.35Å; V28-S30 PolarHBondContact O-N 3Å; V28-L31 PolarHBondContact O-N 3.41Å; V28-V32 HydrophobicContact CG1-CG2 4.48Å; V28-V32 WeakPolarHBondContact O-CG2 3.47Å; V28-V32 PolarHBondContact O-N 2.91Å |
| 29 | A | 75.2 | Confident | 69.4 | Low | 59 Ų | 59 | 109.8 Ų | 109.8 | 49% | 0.488 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.2 | -41.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | I25 C33 | I25-A29 PolarHBondContact O-N 3.48Å; A29-C33 WeakPolarHBondContact O-CB 3.46Å; A29-C33 PolarHBondContact O-N 3.31Å |
| 30 | S | 75.6 | Confident | 69.8 | Low | 61 Ų | 61 | 111.3 Ų | 111.3 | 43% | 0.427 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -65.2 | -42.5 | 176.5 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | C26 K27 V28 C33 H34 | C26-S30 VanDerWaalsContact O-CB 3.31Å; C26-S30 WeakPolarHBondContact O-CB 3.45Å; C26-S30 PolarHBondContact O-N 3.01Å; K27-S30 PolarHBondContact O-N 3.04Å; V28-S30 VanDerWaalsContact C-N 3.35Å; V28-S30 PolarHBondContact O-N 3Å; S30-C33 PolarHBondContact O-N 3.28Å; S30-H34 WeakPolarHBondContact O-CB 3.31Å; S30-H34 PolarHBondContact O-CD2 2.99Å; S30-H34 PolarHBondContact O-N 3.07Å |
| 31 | L | 81.5 | Confident | 69.7 | Low | 123 Ų | 123 | 119.2 Ų | 119.2 | 64% | 0.644 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -62.5 | -45.5 | 176.8 | -76.8 | 166.3 | 0 | 0 | 0 | 112.3 | K27 V28 C33 H34 F35 | K27-L31 WeakPolarHBondContact O-CB 3.42Å; K27-L31 VanDerWaalsContact O-CG 3.32Å; K27-L31 WeakPolarHBondContact O-CG 3.43Å; K27-L31 PolarHBondContact O-N 2.98Å; V28-L31 PolarHBondContact O-N 3.41Å; L31-C33 VanDerWaalsContact C-N 3.33Å; L31-C33 PolarHBondContact O-N 3.42Å; L31-H34 PolarHBondContact O-N 3.46Å; L31-F35 WeakPolarHBondContact O-CB 3.33Å; L31-F35 PolarHBondContact O-N 2.67Å |
| 32 | V | 82.3 | Confident | 70.3 | Confident | 96 Ų | 96 | 118.8 Ų | 118.8 | 58% | 0.582 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -62.2 | -43.5 | 177.5 | 173.4 | 0 | 0 | 0 | 0 | 110.7 | V28 F35 Y36 | V28-V32 HydrophobicContact CG1-CG2 4.48Å; V28-V32 WeakPolarHBondContact O-CG2 3.47Å; V28-V32 PolarHBondContact O-N 2.91Å; V32-F35 PolarHBondContact O-N 2.72Å; V32-Y36 WeakPolarHBondContact O-CB 3.32Å; V32-Y36 PolarHBondContact O-N 3.27Å |
| 33 | C | 80.8 | Confident | 71.1 | Confident | 88 Ų | 88 | 118.1 Ų | 118.1 | 60% | 0.595 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -64.7 | -42.8 | 179.3 | -154.1 | 0 | 0 | 0 | 0 | 111.8 | A29 S30 L31 Y36 W37 | A29-C33 WeakPolarHBondContact O-CB 3.46Å; A29-C33 PolarHBondContact O-N 3.31Å; S30-C33 PolarHBondContact O-N 3.28Å; L31-C33 VanDerWaalsContact C-N 3.33Å; L31-C33 PolarHBondContact O-N 3.42Å; C33-Y36 PolarHBondContact O-N 3.15Å; C33-W37 VanDerWaalsContact O-CB 3.25Å; C33-W37 WeakPolarHBondContact O-CB 3.36Å; C33-W37 PolarHBondContact O-N 3.19Å |
| 34 | H | 75.6 | Confident | 71.8 | Confident | 121 Ų | 121 | 120.3 Ų | 120.3 | 56% | 0.56 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -62 | -43.1 | 174.3 | -94.3 | -80.4 | 0 | 0 | 0 | 112.8 | S30 L31 S38 | S30-H34 WeakPolarHBondContact O-CB 3.31Å; S30-H34 PolarHBondContact O-CD2 2.99Å; S30-H34 PolarHBondContact O-N 3.07Å; L31-H34 PolarHBondContact O-N 3.46Å; H34-S38 VanDerWaalsContact O-CB 3.23Å; H34-S38 WeakPolarHBondContact O-CB 3.28Å; H34-S38 PolarHBondContact O-N 3.1Å; H34-S38 PolarHBondContact O-OG 3.13Å |
| 35 | F | 79.2 | Confident | 72.5 | Confident | 169 Ų | 169 | 121.5 Ų | 121.5 | 74% | 0.741 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -66.3 | -41.6 | -179.9 | -170.1 | -95.5 | 0 | 0 | 0 | 111.8 | L31 V32 S39 | L31-F35 WeakPolarHBondContact O-CB 3.33Å; L31-F35 PolarHBondContact O-N 2.67Å; V32-F35 PolarHBondContact O-N 2.72Å; F35-S39 PolarHBondContact O-N 3.4Å |
| 36 | Y | 80.8 | Confident | 73.1 | Confident | 196 Ų | 196 | 121.1 Ų | 121.1 | 77% | 0.769 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -68.3 | -43.7 | 177.6 | -168.9 | -101.7 | 0 | 0 | 0 | 112.1 | V32 C33 S39 | V32-Y36 WeakPolarHBondContact O-CB 3.32Å; V32-Y36 PolarHBondContact O-N 3.27Å; C33-Y36 PolarHBondContact O-N 3.15Å; Y36-S39 PolarHBondContact O-N 2.99Å |
| 37 | W | 80.7 | Confident | 73.6 | Confident | 227 Ų | 227 | 125.4 Ų | 125.4 | 86% | 0.86 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -66.9 | -35.9 | 178.1 | -175.6 | -87.1 | 0 | 0 | 0 | 113.2 | C33 S39 | C33-W37 VanDerWaalsContact O-CB 3.25Å; C33-W37 WeakPolarHBondContact O-CB 3.36Å; C33-W37 PolarHBondContact O-N 3.19Å; W37-S39 VanDerWaalsContact C-N 3.25Å; W37-S39 PolarHBondContact O-N 2.92Å |
| 38 | S | 68.9 | Low | 74 | Confident | 83 Ų | 83 | 122.8 Ų | 122.8 | 58% | 0.58 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 1.5 | -178.2 | -49.8 | 0 | 0 | 0 | 0 | 113.4 | H34 P40 | H34-S38 VanDerWaalsContact O-CB 3.23Å; H34-S38 WeakPolarHBondContact O-CB 3.28Å; H34-S38 PolarHBondContact O-N 3.1Å; H34-S38 PolarHBondContact O-OG 3.13Å; S38-P40 WeakPolarHBondContact O-CD 3.38Å |
| 39 | S | 59.8 | Low | 73.7 | Confident | 62 Ų | 62 | 125.4 Ų | 125.4 | 43% | 0.434 | 67% | 0.666 | S | S | . | * | | | trans | -96.4 | 99.4 | 174.1 | -163.2 | 0 | 0 | 0 | 0 | 108.7 | F35 Y36 W37 N41 | F35-S39 PolarHBondContact O-N 3.4Å; Y36-S39 PolarHBondContact O-N 2.99Å; W37-S39 VanDerWaalsContact C-N 3.25Å; W37-S39 PolarHBondContact O-N 2.92Å; S39-N41 PolarHBondContact O-N 3.22Å |
| 40 | P | 62.1 | Low | 73.6 | Confident | 120 Ų | 120 | 130.9 Ų | 130.9 | 78% | 0.779 | 68% | 0.681 | S | S | * | * | | | trans | -74.7 | 96 | 170.7 | 32.2 | -31.4 | 0 | 0 | 0 | 107.2 | S38 | S38-P40 WeakPolarHBondContact O-CD 3.38Š|
| 41 | N | 55.6 | Low | 73.4 | Confident | 225 Ų | 225 | 137.3 Ų | 137.3 | 100% | 1.203 | 70% | 0.704 | S | S | * | * | | | trans | -70.6 | 0 | 147.5 | -98.6 | -91.8 | 0 | 0 | 0 | 108.5 | S39 | S39-N41 PolarHBondContact O-N 3.22Š|