| 1 | M | 51.1 | Low | 66.9 | Low | 223 Ų | 223 | 124.7 Ų | 124.7 | 100% | 1.099 | 64% | 0.639 | S | S | * | * | | | | 0 | 90.5 | 0 | -80.3 | 163.7 | 155.9 | 0 | 0 | 109.8 | | |
| 2 | P | 57.9 | Low | 66.8 | Low | 87 Ų | 87 | 130.5 Ų | 130.5 | 57% | 0.565 | 65% | 0.646 | S | S | * | * | | | trans | -86 | -12.3 | -175.1 | 31.3 | -32.3 | 0 | 0 | 0 | 115 | A4 Q5 L6 | P2-A4 PolarHBondContact O-N 3.41Å; P2-Q5 PolarHBondContact O-N 3.01Å; P2-L6 PolarHBondContact O-N 3.38Å |
| 3 | I | 67.5 | Low | 66.8 | Low | 139 Ų | 139 | 125.9 Ų | 125.9 | 71% | 0.713 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -63.8 | -35.7 | -177.8 | -79.9 | 136.1 | 0 | 0 | 0 | 113.2 | Q5 L6 W7 | I3-Q5 VanDerWaalsContact C-N 3.3Å; I3-Q5 PolarHBondContact O-N 3.39Å; I3-L6 PolarHBondContact O-N 3.41Å; I3-W7 PolarHBondContact O-N 3.36Å |
| 4 | A | 64.7 | Low | 66.9 | Low | 74 Ų | 74 | 129.4 Ų | 129.4 | 61% | 0.612 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -65.9 | -31.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | P2 | P2-A4 PolarHBondContact O-N 3.41Å |
| 5 | Q | 69.8 | Low | 67 | Low | 126 Ų | 126 | 134.7 Ų | 134.7 | 59% | 0.589 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -73.7 | -46.6 | 177.4 | -79.2 | 176.8 | -59.3 | 0 | 0 | 111.2 | P2 I3 W7 N8 Y9 | P2-Q5 PolarHBondContact O-N 3.01Å; I3-Q5 VanDerWaalsContact C-N 3.3Å; I3-Q5 PolarHBondContact O-N 3.39Å; Q5-W7 VanDerWaalsContact C-N 3.31Å; Q5-W7 PolarHBondContact O-N 3.4Å; Q5-N8 WeakPolarHBondContact O-CB 3.44Å; Q5-N8 PolarHBondContact O-N 3.25Å; Q5-Y9 PolarHBondContact O-N 3.44Å; Q5-Y9 WeakPolarHBondContact O-CD2 3.48Å; Q5-Y9 HydrophobicContact CB-CE2 4.33Å |
| 6 | L | 69.3 | Low | 67.1 | Low | 127 Ų | 127 | 131.8 Ų | 131.8 | 67% | 0.665 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -58.6 | -40.2 | -179.9 | -78.9 | 162 | 0 | 0 | 0 | 113 | P2 I3 N8 Y9 G10 | P2-L6 PolarHBondContact O-N 3.38Å; I3-L6 PolarHBondContact O-N 3.41Å; L6-N8 VanDerWaalsContact C-N 3.28Å; L6-N8 PolarHBondContact O-N 3.37Å; L6-Y9 PolarHBondContact O-N 3.43Å; L6-G10 PolarHBondContact O-N 3.49Å |
| 7 | W | 72.4 | Confident | 66.9 | Low | 182 Ų | 182 | 131.8 Ų | 131.8 | 69% | 0.689 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -63 | -34.7 | 176.6 | -174.6 | -101.8 | 0 | 0 | 0 | 112.8 | I3 Q5 K11 | I3-W7 PolarHBondContact O-N 3.36Å; Q5-W7 VanDerWaalsContact C-N 3.31Å; Q5-W7 PolarHBondContact O-N 3.4Å; W7-K11 VanDerWaalsContact O-CG 3.25Å; W7-K11 WeakPolarHBondContact O-CG 3.07Å; W7-K11 PolarHBondContact O-N 3.38Å |
| 8 | N | 72.4 | Confident | 66.7 | Low | 103 Ų | 103 | 137.2 Ų | 137.2 | 55% | 0.551 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -75.7 | -34.6 | -178.2 | -152.9 | 4.2 | 0 | 0 | 0 | 112.2 | Q5 L6 K11 R12 | Q5-N8 WeakPolarHBondContact O-CB 3.44Å; Q5-N8 PolarHBondContact O-N 3.25Å; L6-N8 VanDerWaalsContact C-N 3.28Å; L6-N8 PolarHBondContact O-N 3.37Å; N8-K11 PolarHBondContact O-N 3.43Å; N8-R12 PolarHBondContact O-N 3.19Å; N8-R12 WeakPolarHBondContact O-CB 3.49Å; N8-R12 VanDerWaalsContact O-CB 3.28Å |
| 9 | Y | 72.3 | Confident | 66 | Low | 169 Ų | 169 | 143 Ų | 143 | 66% | 0.663 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -62.9 | -47.3 | 174.6 | -77.4 | -77.5 | 0 | 0 | 0 | 112.4 | Q5 L6 K11 R12 S13 | Q5-Y9 PolarHBondContact O-N 3.44Å; Q5-Y9 WeakPolarHBondContact O-CD2 3.48Å; Q5-Y9 HydrophobicContact CB-CE2 4.33Å; L6-Y9 PolarHBondContact O-N 3.43Å; Y9-K11 VanDerWaalsContact C-N 3.32Å; Y9-K11 PolarHBondContact O-N 3.33Å; Y9-R12 PolarHBondContact O-N 3.48Å; Y9-S13 WeakPolarHBondContact O-CB 3.25Å; Y9-S13 PolarHBondContact O-N 3.32Å |
| 10 | G | 71.4 | Confident | 66 | Low | 44 Ų | 44 | 143 Ų | 143 | 45% | 0.454 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -65.1 | -34.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L6 R14 | L6-G10 PolarHBondContact O-N 3.49Å; G10-R14 PolarHBondContact O-N 3.33Å |
| 11 | K | 67.1 | Low | 66 | Low | 98 Ų | 98 | 143 Ų | 143 | 43% | 0.426 | 68% | 0.682 | S | S | . | * | H | α-helix | trans | -69.5 | -50.3 | 174.8 | -70.4 | -96.3 | -176.8 | 166.7 | 0 | 111 | W7 N8 Y9 S13 R14 W15 | W7-K11 VanDerWaalsContact O-CG 3.25Å; W7-K11 WeakPolarHBondContact O-CG 3.07Å; W7-K11 PolarHBondContact O-N 3.38Å; N8-K11 PolarHBondContact O-N 3.43Å; Y9-K11 VanDerWaalsContact C-N 3.32Å; Y9-K11 PolarHBondContact O-N 3.33Å; K11-S13 VanDerWaalsContact C-N 3.32Å; K11-S13 PolarHBondContact O-N 2.94Å; K11-R14 VanDerWaalsContact O-N 3.09Å; K11-R14 PolarHBondContact O-N 3.38Å; K11-R14 WeakPolarHBondContact O-CB 3.28Å; K11-W15 PolarHBondContact O-N 3.38Å |
| 12 | R | 65.1 | Low | 66.9 | Low | 194 Ų | 194 | 138.6 Ų | 138.6 | 73% | 0.732 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64 | -35.3 | -176.8 | -166.3 | 164.4 | -178.6 | 158.6 | -1.6 | 112.9 | N8 Y9 R14 W15 S16 | N8-R12 PolarHBondContact O-N 3.19Å; N8-R12 WeakPolarHBondContact O-CB 3.49Å; N8-R12 VanDerWaalsContact O-CB 3.28Å; Y9-R12 PolarHBondContact O-N 3.48Å; R12-R14 VanDerWaalsContact C-N 3.31Å; R12-R14 PolarHBondContact O-N 3.48Å; R12-W15 PolarHBondContact O-N 3.05Å; R12-S16 PolarHBondContact O-N 3.49Å |
| 13 | S | 67.7 | Low | 67.4 | Low | 71 Ų | 71 | 141.6 Ų | 141.6 | 50% | 0.497 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -65.1 | -33.9 | 174 | -167.1 | 0 | 0 | 0 | 0 | 112.7 | Y9 K11 S16 L17 | Y9-S13 WeakPolarHBondContact O-CB 3.25Å; Y9-S13 PolarHBondContact O-N 3.32Å; K11-S13 VanDerWaalsContact C-N 3.32Å; K11-S13 PolarHBondContact O-N 2.94Å; S13-S16 PolarHBondContact O-N 3.34Å; S13-L17 PolarHBondContact O-N 3.09Å |
| 14 | R | 68.5 | Low | 67.4 | Low | 174 Ų | 174 | 141.8 Ų | 141.8 | 66% | 0.657 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -71.9 | -33.7 | -179.9 | -152 | -178.1 | -66.1 | 175.5 | -3.7 | 112 | G10 K11 R12 S16 L17 W18 | G10-R14 PolarHBondContact O-N 3.33Å; K11-R14 VanDerWaalsContact O-N 3.09Å; K11-R14 PolarHBondContact O-N 3.38Å; K11-R14 WeakPolarHBondContact O-CB 3.28Å; R12-R14 VanDerWaalsContact C-N 3.31Å; R12-R14 PolarHBondContact O-N 3.48Å; R14-S16 VanDerWaalsContact C-N 3.32Å; R14-L17 PolarHBondContact O-N 3.46Å; R14-W18 VanDerWaalsContact O-CD1 3.27Å |
| 15 | W | 67.5 | Low | 67.6 | Low | 210 Ų | 210 | 146.3 Ų | 146.3 | 80% | 0.795 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -72.1 | -24 | 174.2 | -69.1 | 99.7 | 0 | 0 | 0 | 113.5 | K11 R12 | K11-W15 PolarHBondContact O-N 3.38Å; R12-W15 PolarHBondContact O-N 3.05Å |
| 16 | S | 69.1 | Low | 67.4 | Low | 87 Ų | 87 | 147.7 Ų | 147.7 | 61% | 0.608 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -82.5 | -15.8 | 177.1 | -169 | 0 | 0 | 0 | 0 | 113.8 | R12 S13 R14 | R12-S16 PolarHBondContact O-N 3.49Å; S13-S16 PolarHBondContact O-N 3.34Å; R14-S16 VanDerWaalsContact C-N 3.32Å |
| 17 | L | 62.9 | Low | 67.3 | Low | 133 Ų | 133 | 149.3 Ų | 149.3 | 70% | 0.696 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.9 | -9 | -177.5 | -122.2 | 146.3 | 0 | 0 | 0 | 113 | S13 R14 | S13-L17 PolarHBondContact O-N 3.09Å; R14-L17 PolarHBondContact O-N 3.46Å |
| 18 | W | 63 | Low | 66.9 | Low | 229 Ų | 229 | 146.6 Ų | 146.6 | 87% | 0.867 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.3 | 12.2 | 178.7 | -69.2 | 78.7 | 0 | 0 | 0 | 112.5 | R14 | R14-W18 VanDerWaalsContact O-CD1 3.27Š|
| 19 | K | 55.1 | Low | 66.3 | Low | 247 Ų | 247 | 150.5 Ų | 150.5 | 100% | 1.074 | 68% | 0.679 | S | S | * | * | | | trans | -103.1 | 0 | 158.6 | -81.6 | -163.2 | -174.4 | -174.3 | 0 | 108.2 | | |