| 1 | M | 53 | Low | 80.5 | Confident | 242 Ų | 242 | 140.2 Ų | 140.2 | 100% | 1.192 | 68% | 0.678 | S | S | * | * | | | | 0 | 104.2 | 0 | -59.5 | -160.9 | -174 | 0 | 0 | 107.4 | | |
| 2 | R | 54.5 | Low | 81.7 | Confident | 227 Ų | 227 | 134.8 Ų | 134.8 | 86% | 0.857 | 66% | 0.664 | S | S | * | * | | | cis | -139.8 | 121.5 | 16.1 | -68.6 | -177.2 | -93.1 | -154.5 | -4.3 | 108.1 | F4 | R2-F4 PolarHBondContact O-N 3.43Å; R2-F4 VanDerWaalsContact C-N 3.3Å |
| 3 | P | 70.9 | Confident | 82.7 | Confident | 98 Ų | 98 | 135.5 Ų | 135.5 | 64% | 0.636 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | -17.1 | 178.3 | 27.8 | -33.4 | 0 | 0 | 0 | 114.3 | Q5 L6 D7 | P3-Q5 PolarHBondContact O-N 3.2Å; P3-Q5 VanDerWaalsContact C-N 3.27Å; P3-L6 PolarHBondContact O-N 3.08Å; P3-D7 VanDerWaalsContact O-OD2 3.09Å |
| 4 | F | 75.8 | Confident | 83.6 | Confident | 157 Ų | 157 | 135.4 Ų | 135.4 | 69% | 0.689 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -55.2 | -29.4 | -171 | -174.5 | -100.6 | 0 | 0 | 0 | 116.5 | R2 L8 | R2-F4 PolarHBondContact O-N 3.43Å; R2-F4 VanDerWaalsContact C-N 3.3Å; F4-L8 PolarHBondContact O-N 3.26Å |
| 5 | Q | 84.1 | Confident | 84.3 | Confident | 159 Ų | 159 | 134.7 Ų | 134.7 | 74% | 0.743 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -75.5 | -29.7 | -173.8 | -171.4 | 169.7 | -24 | 0 | 0 | 112.7 | P3 L9 | P3-Q5 PolarHBondContact O-N 3.2Å; P3-Q5 VanDerWaalsContact C-N 3.27Å; Q5-L9 PolarHBondContact O-N 3.43Å |
| 6 | L | 86.5 | Confident | 85 | Confident | 114 Ų | 114 | 137.4 Ų | 137.4 | 60% | 0.597 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -71.3 | -40.3 | 177.9 | -67.4 | 171.8 | 0 | 0 | 0 | 110.4 | P3 L8 L9 F10 | P3-L6 PolarHBondContact O-N 3.08Å; L6-L8 PolarHBondContact O-N 3.11Å; L6-L9 PolarHBondContact O-N 3.47Å; L6-F10 WeakPolarHBondContact O-CD2 3.36Å; L6-F10 VanDerWaalsContact O-N 3.08Å; L6-F10 PolarHBondContact O-N 2.77Å; L6-F10 HydrophobicContact CB-CE2 4.24Å |
| 7 | D | 88.8 | Confident | 85.3 | Confident | 100 Ų | 100 | 133.7 Ų | 133.7 | 54% | 0.535 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -60.2 | -42.9 | 178.2 | -59.7 | -67.6 | 0 | 0 | 0 | 112.3 | P3 L9 F10 L11 | P3-D7 VanDerWaalsContact O-OD2 3.09Å; D7-L9 VanDerWaalsContact C-N 3.34Å; D7-L9 PolarHBondContact O-N 3.49Å; D7-F10 PolarHBondContact O-N 3.05Å; D7-L11 WeakPolarHBondContact O-CB 3.45Å; D7-L11 PolarHBondContact O-N 3.37Å |
| 8 | L | 91.7 | Very high | 84.3 | Confident | 93 Ų | 93 | 137.4 Ų | 137.4 | 49% | 0.487 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -63.2 | -40.5 | 177 | -168.3 | 83.2 | 0 | 0 | 0 | 111.7 | F4 L6 L11 C12 | F4-L8 PolarHBondContact O-N 3.26Å; L6-L8 PolarHBondContact O-N 3.11Å; L8-L11 PolarHBondContact O-N 3.44Å; L8-C12 VanDerWaalsContact O-SG 3.34Å; L8-C12 PolarHBondContact O-N 3.48Å; L8-C12 PolarHBondContact O-SG 3.49Å |
| 9 | L | 92.9 | Very high | 84.3 | Confident | 115 Ų | 115 | 137.4 Ų | 137.4 | 60% | 0.602 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66.4 | -41.4 | -179.2 | -170.8 | 128.2 | 0 | 0 | 0 | 111.6 | Q5 L6 D7 C12 F13 | Q5-L9 PolarHBondContact O-N 3.43Å; L6-L9 PolarHBondContact O-N 3.47Å; D7-L9 VanDerWaalsContact C-N 3.34Å; D7-L9 PolarHBondContact O-N 3.49Å; L9-C12 PolarHBondContact O-N 3.41Å; L9-F13 WeakPolarHBondContact O-CB 3.42Å; L9-F13 PolarHBondContact O-N 3.02Å |
| 10 | F | 93.4 | Very high | 84.3 | Confident | 135 Ų | 135 | 137.4 Ų | 137.4 | 59% | 0.592 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -64.5 | -41.2 | 173.7 | -70.8 | -59.9 | 0 | 0 | 0 | 112.2 | L6 D7 F13 F14 | L6-F10 WeakPolarHBondContact O-CD2 3.36Å; L6-F10 VanDerWaalsContact O-N 3.08Å; L6-F10 PolarHBondContact O-N 2.77Å; L6-F10 HydrophobicContact CB-CE2 4.24Å; D7-F10 PolarHBondContact O-N 3.05Å; F10-F13 PolarHBondContact O-N 3.32Å; F10-F14 WeakPolarHBondContact O-CB 3.01Å; F10-F14 PolarHBondContact O-N 2.97Å |
| 11 | L | 94.2 | Very high | 84.3 | Confident | 102 Ų | 102 | 137.4 Ų | 137.4 | 53% | 0.534 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -61.1 | -47.1 | 176.1 | -174.9 | 70 | 0 | 0 | 0 | 111.4 | D7 L8 F13 F14 L15 | D7-L11 WeakPolarHBondContact O-CB 3.45Å; D7-L11 PolarHBondContact O-N 3.37Å; L8-L11 PolarHBondContact O-N 3.44Å; L11-F13 PolarHBondContact O-N 3.46Å; L11-F14 PolarHBondContact O-N 3.03Å; L11-L15 PolarHBondContact O-N 3.36Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å |
| 12 | C | 94.8 | Very high | 86.1 | Confident | 75 Ų | 75 | 131.3 Ų | 131.3 | 51% | 0.507 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -61.9 | -42.2 | 177.4 | -70.9 | 0 | 0 | 0 | 0 | 112.4 | L8 L9 L15 F16 | L8-C12 VanDerWaalsContact O-SG 3.34Å; L8-C12 PolarHBondContact O-N 3.48Å; L8-C12 PolarHBondContact O-SG 3.49Å; L9-C12 PolarHBondContact O-N 3.41Å; C12-L15 PolarHBondContact O-N 3.12Å; C12-F16 PolarHBondContact O-N 3.31Å; C12-F16 VanDerWaalsContact O-N 3.12Å |
| 13 | F | 94.7 | Very high | 88.1 | Confident | 144 Ų | 144 | 125.3 Ų | 125.3 | 63% | 0.632 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.1 | -41.3 | 177.9 | -170.9 | -94.9 | 0 | 0 | 0 | 112.1 | L9 F10 L11 F16 S17 | L9-F13 WeakPolarHBondContact O-CB 3.42Å; L9-F13 PolarHBondContact O-N 3.02Å; F10-F13 PolarHBondContact O-N 3.32Å; L11-F13 PolarHBondContact O-N 3.46Å; F13-F16 PolarHBondContact O-N 3.36Å; F13-S17 WeakPolarHBondContact O-CB 3.5Å; F13-S17 PolarHBondContact O-N 3.34Å; F13-S17 VanDerWaalsContact O-N 3.11Å; F13-S17 PolarHBondContact O-OG 3.46Å |
| 14 | F | 94.3 | Very high | 89.2 | Confident | 135 Ų | 135 | 127.1 Ų | 127.1 | 59% | 0.592 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62.9 | -42.4 | 175.9 | -176.8 | -97.3 | 0 | 0 | 0 | 112.2 | F10 L11 F16 S17 Q18 | F10-F14 WeakPolarHBondContact O-CB 3.01Å; F10-F14 PolarHBondContact O-N 2.97Å; L11-F14 PolarHBondContact O-N 3.03Å; F14-F16 PolarHBondContact O-N 2.94Å; F14-S17 PolarHBondContact O-N 3.01Å; F14-Q18 PolarHBondContact O-N 3.37Å |
| 15 | L | 95.3 | Very high | 90.2 | Very high | 124 Ų | 124 | 125 Ų | 125 | 65% | 0.649 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -67.8 | -33.1 | -179.3 | -129.1 | 139.4 | 0 | 0 | 0 | 113 | L11 C12 | L11-L15 PolarHBondContact O-N 3.36Å; L11-L15 WeakPolarHBondContact O-CB 3.49Å; C12-L15 PolarHBondContact O-N 3.12Å |
| 16 | F | 94.3 | Very high | 90.6 | Very high | 178 Ų | 178 | 122.4 Ų | 122.4 | 78% | 0.781 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -79.5 | -23.9 | 176.3 | -176.4 | -98.4 | 0 | 0 | 0 | 113.3 | C12 F13 F14 | C12-F16 PolarHBondContact O-N 3.31Å; C12-F16 VanDerWaalsContact O-N 3.12Å; F13-F16 PolarHBondContact O-N 3.36Å; F14-F16 PolarHBondContact O-N 2.94Å |
| 17 | S | 90.3 | Very high | 91 | Very high | 75 Ų | 75 | 123.1 Ų | 123.1 | 52% | 0.524 | 61% | 0.614 | S | S | . | * | | | trans | -91.3 | 3 | -178.5 | -53.3 | 0 | 0 | 0 | 0 | 113.6 | F13 F14 | F13-S17 WeakPolarHBondContact O-CB 3.5Å; F13-S17 PolarHBondContact O-N 3.34Å; F13-S17 VanDerWaalsContact O-N 3.11Å; F13-S17 PolarHBondContact O-OG 3.46Å; F14-S17 PolarHBondContact O-N 3.01Å |
| 18 | Q | 67.2 | Low | 91.2 | Very high | 201 Ų | 201 | 125.2 Ų | 125.2 | 94% | 0.939 | 62% | 0.622 | S | S | * | * | | | trans | -84.6 | 0 | 162.3 | -73.9 | -82.5 | -51.9 | 0 | 0 | 109.3 | F14 | F14-Q18 PolarHBondContact O-N 3.37Š|