| 1 | W | 61.8 | Low | 74 | Confident | 284 Ų | 284 | 137 Ų | 137 | 100% | 1.076 | 62% | 0.623 | S | S | * | * | | | | 0 | -21.5 | 0 | -85.5 | 9.8 | 0 | 0 | 0 | 114.2 | W3 | W1-W3 PolarHBondContact O-N 2.93Š|
| 2 | S | 67 | Low | 74.7 | Confident | 72 Ų | 72 | 138.8 Ų | 138.8 | 50% | 0.503 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.6 | 22.5 | 174.2 | -53.1 | 0 | 0 | 0 | 0 | 117.1 | W5 | S2-W5 PolarHBondContact O-NE1 3.44Š|
| 3 | W | 71.5 | Confident | 75.5 | Confident | 208 Ų | 208 | 137.8 Ų | 137.8 | 79% | 0.788 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112 | -19.8 | 176.9 | -63.2 | 106.8 | 0 | 0 | 0 | 112.6 | W1 W5 T6 Y7 | W1-W3 PolarHBondContact O-N 2.93Å; W3-W5 PolarHBondContact O-N 3.47Å; W3-W5 VanDerWaalsContact C-N 3.33Å; W3-T6 WeakPolarHBondContact CA-OG1 3.5Å; W3-T6 PolarHBondContact O-N 3.47Å; W3-T6 PolarHBondContact O-OG1 3.23Å; W3-T6 VanDerWaalsContact O-OG1 3.1Å; W3-Y7 PolarHBondContact O-N 3.1Å |
| 4 | V | 73.9 | Confident | 76.1 | Confident | 119 Ų | 119 | 132.2 Ų | 132.2 | 72% | 0.721 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -34.6 | -179.6 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | P8 | V4-P8 WeakPolarHBondContact O-CD 3.4Š|
| 5 | W | 67.9 | Low | 76.4 | Confident | 171 Ų | 171 | 126.5 Ų | 126.5 | 65% | 0.648 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -18.8 | 180 | 58.4 | 1.4 | 0 | 0 | 0 | 114.6 | S2 W3 | S2-W5 PolarHBondContact O-NE1 3.44Å; W3-W5 PolarHBondContact O-N 3.47Å; W3-W5 VanDerWaalsContact C-N 3.33Å |
| 6 | T | 76.8 | Confident | 76.6 | Confident | 39 Ų | 39 | 128.4 Ų | 128.4 | 24% | 0.239 | 61% | 0.611 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -89 | -36.9 | -179.9 | 50.8 | 0 | 0 | 0 | 0 | 110.4 | W3 L9 F10 | W3-T6 WeakPolarHBondContact CA-OG1 3.5Å; W3-T6 PolarHBondContact O-N 3.47Å; W3-T6 PolarHBondContact O-OG1 3.23Å; W3-T6 VanDerWaalsContact O-OG1 3.1Å; T6-L9 PolarHBondContact O-N 2.97Å; T6-L9 VanDerWaalsContact O-N 3.14Å; T6-F10 WeakPolarHBondContact O-CD2 3.02Å; T6-F10 PolarHBondContact O-N 3.28Å; T6-F10 VanDerWaalsContact O-N 3.08Å |
| 7 | Y | 77.1 | Confident | 76.8 | Confident | 167 Ų | 167 | 124.3 Ų | 124.3 | 66% | 0.655 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -48.5 | -50 | 175.7 | -170.8 | -96.8 | 0 | 0 | 0 | 115.1 | W3 L9 F10 H11 | W3-Y7 PolarHBondContact O-N 3.1Å; Y7-L9 VanDerWaalsContact C-N 3.3Å; Y7-L9 PolarHBondContact O-N 2.92Å; Y7-F10 PolarHBondContact O-N 3.44Å; Y7-H11 VanDerWaalsContact O-CB 3.31Å; Y7-H11 WeakPolarHBondContact O-CB 3.31Å; Y7-H11 PolarHBondContact O-N 3.46Å |
| 8 | P | 75.5 | Confident | 76.8 | Confident | 61 Ų | 61 | 121.2 Ų | 121.2 | 40% | 0.396 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.8 | -27.8 | -178.7 | 25.9 | -35.4 | 0 | 0 | 0 | 113.5 | V4 K12 | V4-P8 WeakPolarHBondContact O-CD 3.4Å; P8-K12 WeakPolarHBondContact O-CG 3.15Å; P8-K12 PolarHBondContact O-N 3.08Å |
| 9 | L | 78 | Confident | 76.5 | Confident | 126 Ų | 126 | 122.1 Ų | 122.1 | 66% | 0.66 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -72.1 | -48 | 175.3 | -83.3 | 158.9 | 0 | 0 | 0 | 110.9 | T6 Y7 H11 K12 L13 | T6-L9 PolarHBondContact O-N 2.97Å; T6-L9 VanDerWaalsContact O-N 3.14Å; Y7-L9 VanDerWaalsContact C-N 3.3Å; Y7-L9 PolarHBondContact O-N 2.92Å; L9-H11 VanDerWaalsContact C-N 3.33Å; L9-H11 PolarHBondContact O-N 3.35Å; L9-K12 PolarHBondContact O-N 2.67Å; L9-L13 PolarHBondContact O-N 3.38Å; L9-L13 VanDerWaalsContact O-N 3.12Å |
| 10 | F | 80.8 | Confident | 76.1 | Confident | 147 Ų | 147 | 119 Ų | 119 | 65% | 0.645 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.3 | -37.3 | 177.3 | -75.9 | -72.9 | 0 | 0 | 0 | 112.4 | T6 Y7 L13 A14 | T6-F10 WeakPolarHBondContact O-CD2 3.02Å; T6-F10 PolarHBondContact O-N 3.28Å; T6-F10 VanDerWaalsContact O-N 3.08Å; Y7-F10 PolarHBondContact O-N 3.44Å; F10-L13 PolarHBondContact O-N 2.95Å; F10-A14 WeakPolarHBondContact O-CB 3.33Å; F10-A14 PolarHBondContact O-N 2.9Å |
| 11 | H | 83.5 | Confident | 75.6 | Confident | 113 Ų | 113 | 118 Ų | 118 | 52% | 0.523 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.4 | -43.5 | 178.3 | -170.3 | 72.7 | 0 | 0 | 0 | 112.6 | Y7 L9 A14 A15 | Y7-H11 VanDerWaalsContact O-CB 3.31Å; Y7-H11 WeakPolarHBondContact O-CB 3.31Å; Y7-H11 PolarHBondContact O-N 3.46Å; L9-H11 VanDerWaalsContact C-N 3.33Å; L9-H11 PolarHBondContact O-N 3.35Å; H11-A14 PolarHBondContact O-N 3.14Å; H11-A15 PolarHBondContact O-N 3.38Å; H11-A15 WeakPolarHBondContact O-CB 3.26Å |
| 12 | K | 82.3 | Confident | 75.6 | Confident | 158 Ų | 158 | 111.1 Ų | 111.1 | 69% | 0.687 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.5 | -40.9 | 175.7 | -73.6 | 178.3 | -179.5 | -175.9 | 0 | 112.1 | P8 L9 F16 | P8-K12 WeakPolarHBondContact O-CG 3.15Å; P8-K12 PolarHBondContact O-N 3.08Å; L9-K12 PolarHBondContact O-N 2.67Å; K12-F16 WeakPolarHBondContact O-CB 3.4Å; K12-F16 PolarHBondContact O-N 2.98Å |
| 13 | L | 85.1 | Confident | 75.2 | Confident | 126 Ų | 126 | 110.9 Ų | 110.9 | 66% | 0.66 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.3 | -42.5 | 178.3 | -150 | 94.5 | 0 | 0 | 0 | 111.5 | L9 F10 F16 A17 | L9-L13 PolarHBondContact O-N 3.38Å; L9-L13 VanDerWaalsContact O-N 3.12Å; F10-L13 PolarHBondContact O-N 2.95Å; L13-F16 PolarHBondContact O-N 3.42Å; L13-A17 WeakPolarHBondContact O-CB 3.33Å; L13-A17 PolarHBondContact O-N 3.39Å |
| 14 | A | 83.8 | Confident | 74.6 | Confident | 60 Ų | 60 | 107.3 Ų | 107.3 | 50% | 0.496 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.1 | -42.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F10 H11 A17 C18 | F10-A14 WeakPolarHBondContact O-CB 3.33Å; F10-A14 PolarHBondContact O-N 2.9Å; H11-A14 PolarHBondContact O-N 3.14Å; A14-A17 PolarHBondContact O-N 3.45Å; A14-C18 VanDerWaalsContact O-CB 3.26Å; A14-C18 WeakPolarHBondContact O-CB 3.38Å; A14-C18 PolarHBondContact O-N 3.41Å |
| 15 | A | 81.6 | Confident | 74 | Confident | 47 Ų | 47 | 107.9 Ų | 107.9 | 39% | 0.388 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.8 | -40.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | H11 C18 H19 | H11-A15 PolarHBondContact O-N 3.38Å; H11-A15 WeakPolarHBondContact O-CB 3.26Å; A15-C18 PolarHBondContact O-N 2.95Å; A15-H19 PolarHBondContact O-N 3.42Å |
| 16 | F | 79.4 | Confident | 73.7 | Confident | 157 Ų | 157 | 104.5 Ų | 104.5 | 69% | 0.689 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.8 | -44.8 | 175.4 | -177.2 | -97 | 0 | 0 | 0 | 112.1 | K12 L13 C18 H19 A20 | K12-F16 WeakPolarHBondContact O-CB 3.4Å; K12-F16 PolarHBondContact O-N 2.98Å; L13-F16 PolarHBondContact O-N 3.42Å; F16-C18 VanDerWaalsContact C-N 3.31Å; F16-C18 PolarHBondContact O-N 2.92Å; F16-H19 PolarHBondContact O-N 3.12Å; F16-A20 PolarHBondContact O-N 3.22Å; F16-A20 WeakPolarHBondContact O-CB 3.28Å; F16-A20 VanDerWaalsContact O-CB 3.25Å |
| 17 | A | 80.3 | Confident | 72.4 | Confident | 58 Ų | 58 | 114.4 Ų | 114.4 | 48% | 0.479 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -63.1 | -38.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L13 A14 S21 | L13-A17 WeakPolarHBondContact O-CB 3.33Å; L13-A17 PolarHBondContact O-N 3.39Å; A14-A17 PolarHBondContact O-N 3.45Å; A17-S21 VanDerWaalsContact O-CB 3.28Å; A17-S21 WeakPolarHBondContact O-CB 3.25Å; A17-S21 PolarHBondContact O-N 2.92Å |
| 18 | C | 76.4 | Confident | 70.8 | Confident | 69 Ų | 69 | 117.2 Ų | 117.2 | 47% | 0.466 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -65 | -46.3 | 175.9 | -175 | 0 | 0 | 0 | 0 | 111.7 | A14 A15 F16 S21 Q22 | A14-C18 VanDerWaalsContact O-CB 3.26Å; A14-C18 WeakPolarHBondContact O-CB 3.38Å; A14-C18 PolarHBondContact O-N 3.41Å; A15-C18 PolarHBondContact O-N 2.95Å; F16-C18 VanDerWaalsContact C-N 3.31Å; F16-C18 PolarHBondContact O-N 2.92Å; C18-S21 PolarHBondContact O-N 3.34Å; C18-Q22 PolarHBondContact O-N 3Å |
| 19 | H | 70.4 | Confident | 70.6 | Confident | 137 Ų | 137 | 120 Ų | 120 | 63% | 0.634 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -67 | -39.7 | 175.4 | -85.1 | -144.9 | 0 | 0 | 0 | 112.9 | A15 F16 S21 Q22 G23 | A15-H19 PolarHBondContact O-N 3.42Å; F16-H19 PolarHBondContact O-N 3.12Å; H19-S21 VanDerWaalsContact C-N 3.26Å; H19-S21 PolarHBondContact O-N 3.12Å; H19-Q22 CarbonylContact O-C 3.59Å; H19-Q22 PolarHBondContact O-N 3.42Å; H19-Q22 VanDerWaalsContact O-N 3.12Å; H19-G23 PolarHBondContact O-N 2.93Å |
| 20 | A | 69.4 | Low | 70.2 | Confident | 60 Ų | 60 | 119.7 Ų | 119.7 | 50% | 0.496 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -62.6 | -36.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | F16 Q22 | F16-A20 PolarHBondContact O-N 3.22Å; F16-A20 WeakPolarHBondContact O-CB 3.28Å; F16-A20 VanDerWaalsContact O-CB 3.25Å; A20-Q22 VanDerWaalsContact C-N 3.33Å |
| 21 | S | 65.1 | Low | 69.6 | Low | 99 Ų | 99 | 118.2 Ų | 118.2 | 69% | 0.692 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.2 | -20.8 | 174.6 | -172 | 0 | 0 | 0 | 0 | 113.5 | A17 C18 H19 | A17-S21 VanDerWaalsContact O-CB 3.28Å; A17-S21 WeakPolarHBondContact O-CB 3.25Å; A17-S21 PolarHBondContact O-N 2.92Å; C18-S21 PolarHBondContact O-N 3.34Å; H19-S21 VanDerWaalsContact C-N 3.26Å; H19-S21 PolarHBondContact O-N 3.12Å |
| 22 | Q | 61.3 | Low | 68.8 | Low | 140 Ų | 140 | 118.5 Ų | 118.5 | 65% | 0.654 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -94.1 | -13.8 | 176.4 | -79.4 | -176.4 | -69.1 | 0 | 0 | 113.6 | C18 H19 A20 D24 | C18-Q22 PolarHBondContact O-N 3Å; H19-Q22 CarbonylContact O-C 3.59Å; H19-Q22 PolarHBondContact O-N 3.42Å; H19-Q22 VanDerWaalsContact O-N 3.12Å; A20-Q22 VanDerWaalsContact C-N 3.33Å; Q22-D24 PolarHBondContact O-N 3.3Å |
| 23 | G | 59.9 | Low | 67.9 | Low | 66 Ų | 66 | 116 Ų | 116 | 68% | 0.68 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -76 | -3.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | H19 | H19-G23 PolarHBondContact O-N 2.93Š|
| 24 | D | 58.4 | Low | 66.8 | Low | 134 Ų | 134 | 115.3 Ų | 115.3 | 72% | 0.717 | 64% | 0.643 | S | S | * | * | | | trans | -114.9 | 43.1 | -175.1 | -128.3 | -67.2 | 0 | 0 | 0 | 112.4 | Q22 P26 | Q22-D24 PolarHBondContact O-N 3.3Å; D24-P26 WeakPolarHBondContact O-CD 3.46Å |
| 25 | Q | 59.8 | Low | 65.6 | Low | 131 Ų | 131 | 119.3 Ų | 119.3 | 61% | 0.612 | 65% | 0.653 | S | S | * | * | | | trans | -113.7 | 83 | 156.8 | -73.8 | -152.4 | -13.9 | 0 | 0 | 110.3 | W27 | Q25-W27 PolarHBondContact O-N 2.82Š|
| 26 | P | 62.2 | Low | 64.3 | Low | 100 Ų | 100 | 124.8 Ų | 124.8 | 65% | 0.649 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | -0.7 | 175.5 | 24.8 | -31.3 | 0 | 0 | 0 | 115 | D24 | D24-P26 WeakPolarHBondContact O-CD 3.46Š|
| 27 | W | 50.5 | Low | 63.1 | Low | 246 Ų | 246 | 122.2 Ų | 122.2 | 93% | 0.932 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.2 | 50.8 | -177.3 | -76.1 | 92.4 | 0 | 0 | 0 | 115.7 | Q25 | Q25-W27 PolarHBondContact O-N 2.82Š|
| 28 | Q | 43.2 | Very low | 61.5 | Low | 226 Ų | 226 | 128 Ų | 128 | 100% | 1.056 | 69% | 0.69 | S | S | * | * | | | trans | -123.6 | 0 | 152.5 | -80.3 | -140.8 | -89.5 | 0 | 0 | 110.9 | | |