| 1 | M | 58.6 | Low | 87 | Confident | 206 Ų | 206 | 131.5 Ų | 131.5 | 100% | 1.015 | 65% | 0.647 | S | S | * | * | | | | 0 | 115.2 | 0 | -62.2 | 159.1 | 80.9 | 0 | 0 | 107.7 | L3 | M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.27Å |
| 2 | N | 83.8 | Confident | 87.3 | Confident | 112 Ų | 112 | 129.7 Ų | 129.7 | 60% | 0.599 | 64% | 0.641 | S | S | * | * | | | trans | -75.5 | 82.6 | -175.2 | -68.1 | -39.3 | 0 | 0 | 0 | 110 | R4 L5 W6 | N2-R4 PolarHBondContact O-N 3.46Å; N2-R4 VanDerWaalsContact O-N 3.07Å; N2-L5 HydrophobicContact CB-CB 4.06Å; N2-L5 HydrophobicContact CB-CD1 3.64Å; N2-L5 HydrophobicContact CB-CG 3.86Å; N2-L5 WeakPolarHBondContact O-CB 3.5Å; N2-L5 PolarHBondContact O-N 3.36Å; N2-W6 PolarHBondContact O-N 3.04Å |
| 3 | L | 86.7 | Confident | 87.5 | Confident | 132 Ų | 132 | 128.9 Ų | 128.9 | 69% | 0.691 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -50.8 | -34.5 | -179.1 | -87.5 | 122.2 | 0 | 0 | 0 | 112.6 | M1 L5 W6 V7 | M1-L3 VanDerWaalsContact C-N 3.3Å; M1-L3 PolarHBondContact O-N 3.27Å; L3-L5 PolarHBondContact O-N 3.11Å; L3-W6 PolarHBondContact O-N 3.24Å; L3-V7 WeakPolarHBondContact O-CG2 3.28Å; L3-V7 PolarHBondContact O-N 3.42Å |
| 4 | R | 86.7 | Confident | 87.5 | Confident | 214 Ų | 214 | 132.6 Ų | 132.6 | 81% | 0.808 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -61.5 | -42.2 | 175.9 | -64.9 | -177.1 | 176.6 | -166.5 | -1 | 112.7 | N2 W6 V7 Q8 | N2-R4 PolarHBondContact O-N 3.46Å; N2-R4 VanDerWaalsContact O-N 3.07Å; R4-W6 VanDerWaalsContact C-N 3.34Å; R4-V7 PolarHBondContact O-N 3.45Å; R4-Q8 WeakPolarHBondContact O-CB 3.38Å; R4-Q8 WeakPolarHBondContact O-CG 3.37Å; R4-Q8 PolarHBondContact O-N 3.05Å |
| 5 | L | 88.6 | Confident | 87.3 | Confident | 102 Ų | 102 | 131 Ų | 131 | 53% | 0.534 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -67.2 | -37 | 176.5 | -67.4 | 176.8 | 0 | 0 | 0 | 111.2 | N2 L3 Q8 A9 | N2-L5 HydrophobicContact CB-CB 4.06Å; N2-L5 HydrophobicContact CB-CD1 3.64Å; N2-L5 HydrophobicContact CB-CG 3.86Å; N2-L5 WeakPolarHBondContact O-CB 3.5Å; N2-L5 PolarHBondContact O-N 3.36Å; L3-L5 PolarHBondContact O-N 3.11Å; L5-Q8 PolarHBondContact O-N 3.5Å; L5-A9 VanDerWaalsContact O-CB 3.28Å; L5-A9 WeakPolarHBondContact O-CB 3.28Å; L5-A9 PolarHBondContact O-N 3.44Å |
| 6 | W | 91.9 | Very high | 86.9 | Confident | 181 Ų | 181 | 127.1 Ų | 127.1 | 69% | 0.686 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.2 | -43.2 | 176.7 | -77 | 102.7 | 0 | 0 | 0 | 113 | N2 L3 R4 Q8 A9 L10 | N2-W6 PolarHBondContact O-N 3.04Å; L3-W6 PolarHBondContact O-N 3.24Å; R4-W6 VanDerWaalsContact C-N 3.34Å; W6-Q8 VanDerWaalsContact C-N 3.35Å; W6-A9 PolarHBondContact O-N 3.08Å; W6-L10 WeakPolarHBondContact O-CB 3.32Å; W6-L10 PolarHBondContact O-N 3.33Å |
| 7 | V | 91.5 | Very high | 86.4 | Confident | 96 Ų | 96 | 126.1 Ų | 126.1 | 58% | 0.582 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.5 | -41.9 | 176.3 | 172.6 | 0 | 0 | 0 | 0 | 110.7 | L3 R4 L10 L11 | L3-V7 WeakPolarHBondContact O-CG2 3.28Å; L3-V7 PolarHBondContact O-N 3.42Å; R4-V7 PolarHBondContact O-N 3.45Å; V7-L10 PolarHBondContact O-N 3.27Å; V7-L11 WeakPolarHBondContact O-CB 3.46Å; V7-L11 PolarHBondContact O-N 2.93Å |
| 8 | Q | 89.6 | Confident | 85.7 | Confident | 114 Ų | 114 | 122.8 Ų | 122.8 | 53% | 0.533 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.5 | -44.1 | 175.8 | -75.8 | 176.9 | -33.1 | 0 | 0 | 112.2 | R4 L5 W6 L10 L11 L12 | R4-Q8 WeakPolarHBondContact O-CB 3.38Å; R4-Q8 WeakPolarHBondContact O-CG 3.37Å; R4-Q8 PolarHBondContact O-N 3.05Å; L5-Q8 PolarHBondContact O-N 3.5Å; W6-Q8 VanDerWaalsContact C-N 3.35Å; Q8-L10 VanDerWaalsContact C-N 3.34Å; Q8-L10 PolarHBondContact O-N 3.42Å; Q8-L11 PolarHBondContact O-N 2.95Å; Q8-L12 WeakPolarHBondContact O-CB 3.3Å; Q8-L12 WeakPolarHBondContact O-CG 3.34Å; Q8-L12 PolarHBondContact O-N 3.32Å |
| 9 | A | 93.1 | Very high | 84.7 | Confident | 52 Ų | 52 | 119.8 Ų | 119.8 | 43% | 0.43 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -62 | -41.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L5 W6 L12 L13 | L5-A9 VanDerWaalsContact O-CB 3.28Å; L5-A9 WeakPolarHBondContact O-CB 3.28Å; L5-A9 PolarHBondContact O-N 3.44Å; W6-A9 PolarHBondContact O-N 3.08Å; A9-L12 PolarHBondContact O-N 2.96Å; A9-L13 VanDerWaalsContact O-CB 3.28Å; A9-L13 WeakPolarHBondContact O-CB 3.44Å; A9-L13 PolarHBondContact O-N 3.44Å |
| 10 | L | 94.3 | Very high | 83.8 | Confident | 120 Ų | 120 | 119.6 Ų | 119.6 | 63% | 0.628 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.9 | -42.3 | 176.4 | -171.6 | 69.3 | 0 | 0 | 0 | 111.8 | W6 V7 Q8 L13 W14 | W6-L10 WeakPolarHBondContact O-CB 3.32Å; W6-L10 PolarHBondContact O-N 3.33Å; V7-L10 PolarHBondContact O-N 3.27Å; Q8-L10 VanDerWaalsContact C-N 3.34Å; Q8-L10 PolarHBondContact O-N 3.42Å; L10-L13 PolarHBondContact O-N 2.91Å; L10-W14 WeakPolarHBondContact O-CB 3.44Å; L10-W14 PolarHBondContact O-N 3.48Å |
| 11 | L | 92.5 | Very high | 82.8 | Confident | 117 Ų | 117 | 119.2 Ų | 119.2 | 61% | 0.613 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.3 | -45.7 | 177 | -176.7 | 67.2 | 0 | 0 | 0 | 111.6 | V7 Q8 W14 L15 | V7-L11 WeakPolarHBondContact O-CB 3.46Å; V7-L11 PolarHBondContact O-N 2.93Å; Q8-L11 PolarHBondContact O-N 2.95Å; L11-W14 PolarHBondContact O-N 2.92Å; L11-L15 WeakPolarHBondContact O-CB 3.39Å; L11-L15 PolarHBondContact O-N 3.13Å |
| 12 | L | 90.9 | Very high | 82.9 | Confident | 110 Ų | 110 | 111.8 Ų | 111.8 | 58% | 0.576 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -63.1 | -41.6 | 177 | -79 | 161.7 | 0 | 0 | 0 | 111.7 | Q8 A9 L15 S16 | Q8-L12 WeakPolarHBondContact O-CB 3.3Å; Q8-L12 WeakPolarHBondContact O-CG 3.34Å; Q8-L12 PolarHBondContact O-N 3.32Å; A9-L12 PolarHBondContact O-N 2.96Å; L12-L15 PolarHBondContact O-N 3.5Å; L12-S16 WeakPolarHBondContact O-CB 3.43Å; L12-S16 PolarHBondContact O-N 2.93Å; L12-S16 PolarHBondContact O-OG 3.22Å |
| 13 | L | 89.9 | Confident | 81.4 | Confident | 120 Ų | 120 | 111.4 Ų | 111.4 | 63% | 0.628 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.8 | -45.9 | 175.5 | -179.2 | 65.6 | 0 | 0 | 0 | 111.3 | A9 L10 S16 L17 | A9-L13 VanDerWaalsContact O-CB 3.28Å; A9-L13 WeakPolarHBondContact O-CB 3.44Å; A9-L13 PolarHBondContact O-N 3.44Å; L10-L13 PolarHBondContact O-N 2.91Å; L13-S16 PolarHBondContact O-N 3.25Å; L13-L17 PolarHBondContact O-N 3.49Å |
| 14 | W | 86.8 | Confident | 80 | Confident | 180 Ų | 180 | 110.8 Ų | 110.8 | 68% | 0.682 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -65.4 | -43 | 179.6 | -155.5 | 68 | 0 | 0 | 0 | 111.9 | L10 L11 S16 L17 T18 | L10-W14 WeakPolarHBondContact O-CB 3.44Å; L10-W14 PolarHBondContact O-N 3.48Å; L11-W14 PolarHBondContact O-N 2.92Å; W14-S16 VanDerWaalsContact C-N 3.34Å; W14-S16 PolarHBondContact O-N 3.47Å; W14-L17 PolarHBondContact O-N 3.4Å; W14-T18 WeakPolarHBondContact O-CG2 3.42Å; W14-T18 PolarHBondContact O-N 2.88Å; W14-T18 PolarHBondContact O-OG1 2.88Å |
| 15 | L | 84.3 | Confident | 78.4 | Confident | 109 Ų | 109 | 108 Ų | 108 | 57% | 0.571 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -61.7 | -42.6 | 176.3 | -167.4 | 71.2 | 0 | 0 | 0 | 111.6 | L11 L12 L17 T18 A19 | L11-L15 WeakPolarHBondContact O-CB 3.39Å; L11-L15 PolarHBondContact O-N 3.13Å; L12-L15 PolarHBondContact O-N 3.5Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-L17 PolarHBondContact O-N 3.07Å; L15-T18 WeakPolarHBondContact CA-OG1 3.41Å; L15-T18 PolarHBondContact O-N 3.41Å; L15-T18 PolarHBondContact O-OG1 3.03Å; L15-A19 WeakPolarHBondContact O-CB 3.32Å; L15-A19 PolarHBondContact O-N 3.09Å |
| 16 | S | 81.6 | Confident | 76.5 | Confident | 69 Ų | 69 | 110.3 Ų | 110.3 | 48% | 0.483 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.7 | -40.8 | 178.2 | -56 | 0 | 0 | 0 | 0 | 111.4 | L12 L13 W14 A19 V20 | L12-S16 WeakPolarHBondContact O-CB 3.43Å; L12-S16 PolarHBondContact O-N 2.93Å; L12-S16 PolarHBondContact O-OG 3.22Å; L13-S16 PolarHBondContact O-N 3.25Å; W14-S16 VanDerWaalsContact C-N 3.34Å; W14-S16 PolarHBondContact O-N 3.47Å; S16-A19 PolarHBondContact O-N 2.63Å; S16-V20 WeakPolarHBondContact O-CG2 3.45Å; S16-V20 PolarHBondContact O-N 3.25Å |
| 17 | L | 78.3 | Confident | 74.6 | Confident | 110 Ų | 110 | 108.4 Ų | 108.4 | 58% | 0.576 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -63 | -43.2 | 175.7 | -168.8 | 66.6 | 0 | 0 | 0 | 111.7 | L13 W14 L15 C21 | L13-L17 PolarHBondContact O-N 3.49Å; W14-L17 PolarHBondContact O-N 3.4Å; L15-L17 VanDerWaalsContact C-N 3.32Å; L15-L17 PolarHBondContact O-N 3.07Å; L17-C21 PolarHBondContact O-N 2.69Å; L17-C21 VanDerWaalsContact O-N 3.11Å |
| 18 | T | 73.6 | Confident | 72.5 | Confident | 67 Ų | 67 | 108.3 Ų | 108.3 | 41% | 0.411 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.9 | -33.7 | 176.8 | 57.5 | 0 | 0 | 0 | 0 | 113.3 | W14 L15 G22 | W14-T18 WeakPolarHBondContact O-CG2 3.42Å; W14-T18 PolarHBondContact O-N 2.88Å; W14-T18 PolarHBondContact O-OG1 2.88Å; L15-T18 WeakPolarHBondContact CA-OG1 3.41Å; L15-T18 PolarHBondContact O-N 3.41Å; L15-T18 PolarHBondContact O-OG1 3.03Å; T18-G22 PolarHBondContact O-N 3.1Å |
| 19 | A | 67.3 | Low | 70.8 | Confident | 66 Ų | 66 | 108 Ų | 108 | 55% | 0.545 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -70.2 | -39 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | L15 S16 G22 | L15-A19 WeakPolarHBondContact O-CB 3.32Å; L15-A19 PolarHBondContact O-N 3.09Å; S16-A19 PolarHBondContact O-N 2.63Å; A19-G22 PolarHBondContact O-N 2.91Å |
| 20 | V | 66 | Low | 68.9 | Low | 115 Ų | 115 | 113.5 Ų | 113.5 | 70% | 0.697 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -71.4 | -35.2 | 177.3 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | S16 G22 | S16-V20 WeakPolarHBondContact O-CG2 3.45Å; S16-V20 PolarHBondContact O-N 3.25Å; V20-G22 VanDerWaalsContact C-N 3.29Å |
| 21 | C | 62.4 | Low | 66.9 | Low | 111 Ų | 111 | 111.4 Ų | 111.4 | 75% | 0.75 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -5.4 | 173.9 | -70.3 | 0 | 0 | 0 | 0 | 114.2 | L17 | L17-C21 PolarHBondContact O-N 2.69Å; L17-C21 VanDerWaalsContact O-N 3.11Å |
| 22 | G | 60.8 | Low | 64.9 | Low | 50 Ų | 50 | 116 Ų | 116 | 52% | 0.515 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.6 | 27.7 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | T18 A19 V20 P24 | T18-G22 PolarHBondContact O-N 3.1Å; A19-G22 PolarHBondContact O-N 2.91Å; V20-G22 VanDerWaalsContact C-N 3.29Å; G22-P24 VanDerWaalsContact O-CD 3.3Å; G22-P24 WeakPolarHBondContact O-CD 3.45Å |
| 23 | V | 52.6 | Low | 62.9 | Low | 104 Ų | 104 | 113.8 Ų | 113.8 | 63% | 0.63 | 68% | 0.676 | S | S | * | * | | | trans | -65.5 | 117.4 | 172.5 | 177.3 | 0 | 0 | 0 | 0 | 108.7 | L25 | V23-L25 PolarHBondContact O-N 2.95Š|
| 24 | P | 57.1 | Low | 61.2 | Low | 120 Ų | 120 | 116.4 Ų | 116.4 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | | | trans | -73.2 | 101.5 | 178.2 | 29.4 | -30.3 | 0 | 0 | 0 | 108.1 | G22 M26 | G22-P24 VanDerWaalsContact O-CD 3.3Å; G22-P24 WeakPolarHBondContact O-CD 3.45Å; P24-M26 PolarHBondContact O-N 3.32Å |
| 25 | L | 53.7 | Low | 59.6 | Low | 155 Ų | 155 | 115.4 Ų | 115.4 | 81% | 0.812 | 69% | 0.692 | S | S | * | * | | | trans | -68.5 | 99.7 | 170.8 | -72.1 | 175.7 | 0 | 0 | 0 | 108.9 | V23 | V23-L25 PolarHBondContact O-N 2.95Š|
| 26 | M | 49.4 | Very low | 58.2 | Low | 150 Ų | 150 | 118.1 Ų | 118.1 | 74% | 0.739 | 70% | 0.702 | S | S | * | * | | | trans | 74.8 | 105.2 | 154.7 | -59 | -123.4 | 80.9 | 0 | 0 | 117.5 | P24 | P24-M26 PolarHBondContact O-N 3.32Š|
| 27 | L | 50.1 | Low | 56.8 | Low | 141 Ų | 141 | 118.1 Ų | 118.1 | 74% | 0.738 | 71% | 0.713 | S | S | * | * | | | trans | -101 | 110.7 | 132.2 | -175.3 | 66.8 | 0 | 0 | 0 | 107.2 | | |
| 28 | P | 48.4 | Very low | 55.6 | Low | 94 Ų | 94 | 118.1 Ų | 118.1 | 61% | 0.61 | 71% | 0.714 | S | S | * | * | | | trans | -83.5 | 119.8 | 157.9 | 27.8 | -16.4 | 0 | 0 | 0 | 107.8 | | |
| 29 | S | 53.3 | Low | 54.7 | Low | 109 Ų | 109 | 123.4 Ų | 123.4 | 76% | 0.762 | 74% | 0.736 | S | S | * | * | | | trans | -51.9 | 148.1 | 164.6 | -172.8 | 0 | 0 | 0 | 0 | 110.7 | | |
| 30 | D | 53.1 | Low | 54.3 | Low | 166 Ų | 166 | 131.3 Ų | 131.3 | 89% | 0.888 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 90.4 | 101.8 | 159.1 | -125.2 | -8.2 | 0 | 0 | 0 | 117.8 | | |
| 31 | G | 52.7 | Low | 53.8 | Low | 77 Ų | 77 | 135 Ų | 135 | 79% | 0.794 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 126 | -14 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | | |
| 32 | K | 51.2 | Low | 53.5 | Low | 214 Ų | 214 | 137.5 Ų | 137.5 | 93% | 0.93 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -163.2 | 105.4 | -179.9 | -167.1 | -172.8 | -179.9 | -173.2 | 0 | 114.3 | | |
| 33 | G | 48.3 | Very low | 53.6 | Low | 63 Ų | 63 | 141.2 Ų | 141.2 | 65% | 0.649 | 77% | 0.772 | S | S | * | * | | | trans | 128.8 | 69.5 | 155.3 | 0 | 0 | 0 | 0 | 0 | 117.7 | E35 | G33-E35 VanDerWaalsContact C-N 3.28Å; G33-E35 PolarHBondContact O-N 3.03Å |
| 34 | L | 54.3 | Low | 53.7 | Low | 175 Ų | 175 | 144.8 Ų | 144.8 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | | | | 31 | 24 | 127.1 | -81.3 | 171 | 0 | 0 | 0 | 123.2 | | |
| 35 | E | 54.2 | Low | 53.9 | Low | 158 Ų | 158 | 144.3 Ų | 144.3 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | | | trans | -118.7 | 13.7 | -176.1 | -60.1 | -63.7 | 142.8 | 0 | 0 | 115 | G33 | G33-E35 VanDerWaalsContact C-N 3.28Å; G33-E35 PolarHBondContact O-N 3.03Å |
| 36 | E | 53.6 | Low | 54.2 | Low | 166 Ų | 166 | 148.3 Ų | 148.3 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -92 | -0.5 | 175.8 | -81.2 | 165.7 | 160.5 | 0 | 0 | 113.7 | | |
| 37 | G | 53.8 | Low | 54.2 | Low | 69 Ų | 69 | 145.9 Ų | 145.9 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -86.1 | -15.6 | -177.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 38 | N | 51.3 | Low | 54.8 | Low | 111 Ų | 111 | 144.2 Ų | 144.2 | 59% | 0.594 | 79% | 0.786 | S | S | * | * | | | trans | -104.8 | 11.6 | -165.5 | -152.4 | 6.7 | 0 | 0 | 0 | 115.2 | R40 | N38-R40 PolarHBondContact O-N 3.06Š|
| 39 | M | 56 | Low | 55.2 | Low | 177 Ų | 177 | 151 Ų | 151 | 87% | 0.872 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | 1.4 | 176 | -72.6 | -152.8 | 173.8 | 0 | 0 | 114.5 | | |
| 40 | R | 58 | Low | 55.4 | Low | 232 Ų | 232 | 153.1 Ų | 153.1 | 88% | 0.875 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.3 | -0.2 | 177.8 | -68.9 | -158.9 | -86.1 | -172.4 | -6.4 | 115.1 | N38 | N38-R40 PolarHBondContact O-N 3.06Š|
| 41 | Y | 55.3 | Low | 55.8 | Low | 192 Ų | 192 | 148.2 Ų | 148.2 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -103 | -5.1 | -179.3 | -92.7 | -84.6 | 0 | 0 | 0 | 115.5 | V43 | Y41-V43 VanDerWaalsContact C-N 3.34Å; Y41-V43 PolarHBondContact O-N 2.9Å |
| 42 | L | 56.6 | Low | 56.1 | Low | 164 Ų | 164 | 151.5 Ų | 151.5 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -93.2 | 15.6 | -177.5 | -141 | 92.3 | 0 | 0 | 0 | 114.6 | | |
| 43 | V | 63.1 | Low | 56.4 | Low | 129 Ų | 129 | 143.5 Ų | 143.5 | 78% | 0.782 | 78% | 0.782 | S | S | * | * | | | trans | -126.8 | 83.3 | 170.8 | -180 | 0 | 0 | 0 | 0 | 108.2 | Y41 | Y41-V43 VanDerWaalsContact C-N 3.34Å; Y41-V43 PolarHBondContact O-N 2.9Å |
| 44 | Q | 54.7 | Low | 57.1 | Low | 179 Ų | 179 | 146.5 Ų | 146.5 | 84% | 0.836 | 79% | 0.791 | S | S | * | * | | | trans | -106.9 | 132.5 | 145.3 | -86.4 | -164.5 | 33.2 | 0 | 0 | 108.7 | | |
| 45 | P | 60.3 | Low | 57.3 | Low | 110 Ų | 110 | 150.1 Ų | 150.1 | 71% | 0.714 | 79% | 0.792 | S | S | * | * | | | trans | -80.5 | 135.3 | -162.5 | 31.7 | -33.1 | 0 | 0 | 0 | 112.1 | | |
| 46 | R | 61.1 | Low | 57.6 | Low | 239 Ų | 239 | 152.2 Ų | 152.2 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | 23.2 | 104.6 | 138.1 | -147.5 | -172.7 | -158.1 | -174.9 | 6.6 | 116.1 | | |
| 47 | A | 49.4 | Very low | 57.9 | Low | 98 Ų | 98 | 146.4 Ų | 146.4 | 81% | 0.81 | 79% | 0.787 | S | S | * | * | | | trans | -136.6 | 87.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | R49 | A47-R49 PolarHBondContact O-N 3.34Š|
| 48 | S | 62.4 | Low | 58.3 | Low | 106 Ų | 106 | 145.6 Ų | 145.6 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | trans | -67.5 | 109.7 | 160.7 | 56.7 | 0 | 0 | 0 | 0 | 108.9 | | |
| 49 | R | 57 | Low | 58.5 | Low | 236 Ų | 236 | 152.2 Ų | 152.2 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | | | trans | -143.6 | 104.8 | 161.1 | -79.1 | -168.6 | 150.9 | 146 | -8.3 | 110.6 | A47 | A47-R49 PolarHBondContact O-N 3.34Š|
| 50 | T | 57.8 | Low | 58.7 | Low | 155 Ų | 155 | 155 Ų | 155 | 95% | 0.951 | 80% | 0.796 | S | S | * | * | | | trans | -6 | 126.8 | 146.6 | -36.2 | 0 | 0 | 0 | 0 | 116.1 | | |
| 51 | G | 60 | Low | 58.9 | Low | 63 Ų | 63 | 152.4 Ų | 152.4 | 65% | 0.649 | 79% | 0.791 | S | S | * | * | | | trans | 148.5 | 143.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | G53 | G51-G53 PolarHBondContact O-N 2.76Å; G51-G53 VanDerWaalsContact O-N 3.13Å |
| 52 | P | 59.7 | Low | 58.9 | Low | 146 Ų | 146 | 152.9 Ų | 152.9 | 95% | 0.948 | 80% | 0.797 | S | S | * | * | | | trans | -71.6 | 103.7 | 170.3 | 29 | -29.2 | 0 | 0 | 0 | 109.2 | | |
| 53 | G | 57.5 | Low | 59.3 | Low | 45 Ų | 45 | 155.6 Ų | 155.6 | 46% | 0.464 | 80% | 0.796 | S | S | . | * | | | trans | -90.9 | 151.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | G51 W55 | G51-G53 PolarHBondContact O-N 2.76Å; G51-G53 VanDerWaalsContact O-N 3.13Å; G53-W55 PolarHBondContact O-N 2.73Å |
| 54 | P | 62.8 | Low | 59.6 | Low | 127 Ų | 127 | 160.5 Ų | 160.5 | 83% | 0.825 | 80% | 0.801 | S | S | * | * | | | trans | -84.1 | 70.3 | -156 | 36.8 | -37.2 | 0 | 0 | 0 | 112.9 | Q56 | P54-Q56 PolarHBondContact O-N 2.94Å; P54-Q56 VanDerWaalsContact O-N 3.08Å |
| 55 | W | 59.1 | Low | 60.4 | Low | 250 Ų | 250 | 161.2 Ų | 161.2 | 95% | 0.947 | 80% | 0.804 | S | S | * | * | | | trans | -78.8 | 20.6 | 178.1 | -77.2 | 89.2 | 0 | 0 | 0 | 114.6 | G53 | G53-W55 PolarHBondContact O-N 2.73Š|
| 56 | Q | 59.9 | Low | 61 | Low | 202 Ų | 202 | 166.7 Ų | 166.7 | 94% | 0.944 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -103.2 | 27.8 | 174.4 | -72.1 | -94.4 | 23.8 | 0 | 0 | 112.4 | P54 | P54-Q56 PolarHBondContact O-N 2.94Å; P54-Q56 VanDerWaalsContact O-N 3.08Å |
| 57 | G | 60.3 | Low | 61.6 | Low | 44 Ų | 44 | 161.2 Ų | 161.2 | 45% | 0.454 | 81% | 0.806 | S | S | . | * | S | Bend | trans | -116.5 | -6.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 58 | G | 61.2 | Low | 62.7 | Low | 52 Ų | 52 | 167.9 Ų | 167.9 | 54% | 0.536 | 81% | 0.81 | S | S | . | * | S | Bend | trans | -92.4 | -24.2 | -162.7 | 0 | 0 | 0 | 0 | 0 | 116.7 | R60 | G58-R60 PolarHBondContact O-N 3.37Š|
| 59 | R | 57.3 | Low | 63.1 | Low | 251 Ų | 251 | 171 Ų | 171 | 95% | 0.947 | 82% | 0.817 | S | S | * | * | S | Bend | trans | -88.7 | -0.7 | -171.4 | -117.3 | -170.1 | -160.7 | -102.6 | 4.4 | 115.8 | | |
| 60 | R | 60 | Low | 63.9 | Low | 235 Ų | 235 | 163.3 Ų | 163.3 | 89% | 0.887 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -113.9 | -5.7 | 180 | -95.9 | -177.8 | 177.4 | -178.7 | -0.2 | 115.5 | G58 | G58-R60 PolarHBondContact O-N 3.37Š|
| 61 | K | 60.8 | Low | 64.7 | Low | 178 Ų | 178 | 164.1 Ų | 164.1 | 77% | 0.774 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -98.4 | -12.5 | -176.9 | -57 | -157.7 | -177.1 | -166.8 | 0 | 115.4 | R63 | K61-R63 VanDerWaalsContact C-N 3.28Å; K61-R63 PolarHBondContact O-N 3.45Å |
| 62 | F | 56.3 | Low | 65.2 | Low | 201 Ų | 201 | 169.7 Ų | 169.7 | 88% | 0.882 | 80% | 0.799 | S | S | * | * | S | Bend | trans | -79 | -8.7 | 175 | -84.8 | -79.9 | 0 | 0 | 0 | 114.4 | R64 | F62-R64 PolarHBondContact O-N 2.94Š|
| 63 | R | 65.3 | Low | 66.1 | Low | 221 Ų | 221 | 164.6 Ų | 164.6 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -84.8 | 103.4 | 164.1 | -65.6 | -174.3 | -178.1 | 179.9 | 0.6 | 106.1 | K61 Q65 | K61-R63 VanDerWaalsContact C-N 3.28Å; K61-R63 PolarHBondContact O-N 3.45Å; R63-Q65 PolarHBondContact O-N 2.92Å |
| 64 | R | 69.1 | Low | 67.2 | Low | 232 Ų | 232 | 168.2 Ų | 168.2 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | | | trans | -42.2 | 131.5 | 173.1 | -63 | -178.9 | -177.1 | -177.9 | 0.2 | 108.6 | F62 R66 | F62-R64 PolarHBondContact O-N 2.94Å; R64-R66 PolarHBondContact O-N 3.04Å |
| 65 | Q | 71.1 | Confident | 67.9 | Low | 195 Ų | 195 | 169.3 Ų | 169.3 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | | | trans | -60.7 | 110.5 | 171.6 | -133.8 | 176.3 | 14.6 | 0 | 0 | 106.1 | R63 | R63-Q65 PolarHBondContact O-N 2.92Š|
| 66 | R | 72.7 | Confident | 68.9 | Low | 224 Ų | 224 | 163.2 Ų | 163.2 | 85% | 0.845 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 128.3 | 175 | -68.6 | -176.2 | 179.9 | -133.4 | 0.2 | 106.1 | R64 R68 | R64-R66 PolarHBondContact O-N 3.04Å; R66-R68 PolarHBondContact O-N 3.49Å |
| 67 | P | 73.2 | Confident | 69 | Low | 125 Ų | 125 | 166.2 Ų | 166.2 | 81% | 0.812 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 116.1 | 166.8 | -19.6 | 30.3 | 0 | 0 | 0 | 105.4 | L69 | P67-L69 PolarHBondContact O-N 2.9Å; P67-L69 VanDerWaalsContact O-N 3.1Å |
| 68 | R | 72.8 | Confident | 69.4 | Low | 237 Ų | 237 | 172.3 Ų | 172.3 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -62 | 123.2 | 168.9 | -69.8 | -165.9 | 173.9 | -164.7 | -2.3 | 104 | R66 S70 | R66-R68 PolarHBondContact O-N 3.49Å; R68-S70 PolarHBondContact O-N 2.94Å |
| 69 | L | 72.3 | Confident | 69.8 | Low | 171 Ų | 171 | 178.6 Ų | 178.6 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | | | trans | -51.1 | 96.2 | 172.3 | 179.1 | 64.5 | 0 | 0 | 0 | 105 | P67 H71 | P67-L69 PolarHBondContact O-N 2.9Å; P67-L69 VanDerWaalsContact O-N 3.1Å; L69-H71 PolarHBondContact O-N 3.03Å |
| 70 | S | 72.6 | Confident | 70.5 | Confident | 75 Ų | 75 | 174.6 Ų | 174.6 | 52% | 0.524 | 81% | 0.811 | S | S | . | * | | | trans | -59.5 | 132.9 | 173.8 | 54.1 | 0 | 0 | 0 | 0 | 103.5 | R68 K72 | R68-S70 PolarHBondContact O-N 2.94Å; S70-K72 PolarHBondContact O-N 3.32Å |
| 71 | H | 74.4 | Confident | 71.2 | Confident | 173 Ų | 173 | 171.1 Ų | 171.1 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | | | trans | -62.9 | 78.2 | 171.8 | -175.1 | 69.9 | 0 | 0 | 0 | 106.7 | L69 G73 | L69-H71 PolarHBondContact O-N 3.03Å; H71-G73 VanDerWaalsContact C-N 3.28Å; H71-G73 PolarHBondContact O-N 2.75Å; H71-G73 VanDerWaalsContact O-N 3.09Å |
| 72 | K | 70.8 | Confident | 71.8 | Confident | 179 Ų | 179 | 170.6 Ų | 170.6 | 78% | 0.778 | 81% | 0.808 | S | S | * | * | | | trans | -61 | 105.8 | 154.9 | -65 | -80.4 | -175 | -175.4 | 0 | 101 | S70 | S70-K72 PolarHBondContact O-N 3.32Š|
| 73 | G | 79.3 | Confident | 72.8 | Confident | 39 Ų | 39 | 168.6 Ų | 168.6 | 40% | 0.402 | 80% | 0.804 | S | S | . | * | P | Polyproline II helix | trans | -50.9 | 172.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 112 | H71 M75 | H71-G73 VanDerWaalsContact C-N 3.28Å; H71-G73 PolarHBondContact O-N 2.75Å; H71-G73 VanDerWaalsContact O-N 3.09Å; G73-M75 PolarHBondContact O-N 3.47Å |
| 74 | P | 80.3 | Confident | 73.4 | Confident | 122 Ų | 122 | 164.9 Ų | 164.9 | 79% | 0.792 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 122.5 | -175.8 | 21.9 | -32.8 | 0 | 0 | 0 | 109.9 | | |
| 75 | M | 77.3 | Confident | 73.7 | Confident | 150 Ų | 150 | 159.7 Ų | 159.7 | 74% | 0.739 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 122.2 | 177.3 | -175.4 | 172.2 | 164.2 | 0 | 0 | 107.2 | G73 F77 | G73-M75 PolarHBondContact O-N 3.47Å; M75-F77 PolarHBondContact O-N 3.28Å |
| 76 | P | 80.1 | Confident | 73.9 | Confident | 122 Ų | 122 | 156.8 Ų | 156.8 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 131.5 | -172.5 | 25.2 | -32 | 0 | 0 | 0 | 110.5 | | |
| 77 | F | 61.6 | Low | 74 | Confident | 264 Ų | 264 | 150.6 Ų | 150.6 | 100% | 1.158 | 78% | 0.781 | S | S | * | * | | | trans | -108.7 | 0 | 164.7 | -59.9 | -78.7 | 0 | 0 | 0 | 108.4 | M75 | M75-F77 PolarHBondContact O-N 3.28Š|