| 1 | M | 47.7 | Very low | 66.7 | Low | 231 Ų | 231 | 112.6 Ų | 112.6 | 100% | 1.138 | 63% | 0.634 | S | S | * | * | | | | 0 | 112 | 0 | -81.9 | -72.2 | 142.3 | 0 | 0 | 105.4 | S3 | M1-S3 PolarHBondContact O-N 2.9Š|
| 2 | A | 58.7 | Low | 67.2 | Low | 87 Ų | 87 | 112.3 Ų | 112.3 | 72% | 0.719 | 64% | 0.644 | S | S | * | * | | | trans | -59.6 | 112.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 105 | D4 | A2-D4 VanDerWaalsContact C-N 3.3Å; A2-D4 PolarHBondContact O-N 3.18Å |
| 3 | S | 60.2 | Low | 67.8 | Low | 89 Ų | 89 | 110.1 Ų | 110.1 | 62% | 0.622 | 62% | 0.62 | S | S | * | * | | | trans | -67.2 | 102.3 | 168.8 | 164.5 | 0 | 0 | 0 | 0 | 103.9 | M1 S5 | M1-S3 PolarHBondContact O-N 2.9Å; S3-S5 PolarHBondContact O-N 2.97Å |
| 4 | D | 65.7 | Low | 68.2 | Low | 141 Ų | 141 | 106.9 Ų | 106.9 | 75% | 0.754 | 61% | 0.605 | S | S | * | * | | | trans | -63.3 | 78.7 | 166.3 | -69.4 | -32.4 | 0 | 0 | 0 | 106.6 | A2 I6 | A2-D4 VanDerWaalsContact C-N 3.3Å; A2-D4 PolarHBondContact O-N 3.18Å; D4-I6 PolarHBondContact O-N 2.98Å |
| 5 | S | 72.1 | Confident | 68.3 | Low | 29 Ų | 29 | 108 Ų | 108 | 20% | 0.203 | 60% | 0.604 | C | S | . | * | | | trans | -68.3 | 126.7 | -174.2 | -173.1 | 0 | 0 | 0 | 0 | 105.8 | S3 F7 E8 | S3-S5 PolarHBondContact O-N 2.97Å; S5-F7 PolarHBondContact O-N 3.28Å; S5-F7 WeakPolarHBondContact OG-CD2 3.48Å; S5-E8 WeakPolarHBondContact O-CB 3.37Å; S5-E8 PolarHBondContact O-N 3.02Å |
| 6 | I | 72.8 | Confident | 68.6 | Low | 109 Ų | 109 | 108.8 Ų | 108.8 | 56% | 0.559 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -51.5 | -26.5 | 178.1 | 59.8 | 167.3 | 0 | 0 | 0 | 111.5 | D4 E8 S9 F10 | D4-I6 PolarHBondContact O-N 2.98Å; I6-E8 VanDerWaalsContact C-N 3.34Å; I6-E8 PolarHBondContact O-N 3.35Å; I6-S9 VanDerWaalsContact O-N 3.17Å; I6-S9 PolarHBondContact O-N 2.96Å; I6-S9 WeakPolarHBondContact O-CB 3.43Å; I6-F10 WeakPolarHBondContact O-CD2 3.16Å; I6-F10 PolarHBondContact O-N 3.02Å |
| 7 | F | 69 | Low | 68.7 | Low | 62 Ų | 62 | 111.1 Ų | 111.1 | 27% | 0.272 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -66.8 | -30.1 | 176.9 | -53.7 | -54.7 | 0 | 0 | 0 | 113.4 | S5 S9 F10 Y13 M18 | S5-F7 PolarHBondContact O-N 3.28Å; S5-F7 WeakPolarHBondContact OG-CD2 3.48Å; F7-S9 VanDerWaalsContact C-N 3.3Å; F7-F10 PolarHBondContact O-N 3.25Å; F7-Y13 AromaticContact CE1-CZ 3.43Å; F7-Y13 HydrophobicContact CZ-CE1 4.27Å; F7-Y13 HydrophobicContact CG-CD1 4.32Å; F7-Y13 VanDerWaalsContact CE1-CZ 3.43Å; F7-Y13 HydrophobicContact CE1-CG 4.34Å; F7-Y13 HydrophobicContact CE1-CE2 4.14Å; F7-Y13 HydrophobicContact CE1-CE1 3.18Å; F7-Y13 AromaticContact CE1-CE1 3.18Å; F7-Y13 HydrophobicContact CE1-CD1 3.69Å; F7-Y13 AromaticContact CD1-CZ 3.9Å; F7-Y13 AromaticContact CE1-CD1 3.69Å; F7-Y13 AromaticContact CD1-CD1 3.3Å; F7-Y13 HydrophobicContact CD1-CD1 3.3Å; F7-Y13 HydrophobicContact CD1-CD2 4.28Å; F7-Y13 AromaticContact CD1-CE1 3.36Å; F7-Y13 HydrophobicContact CD1-CE1 3.36Å; F7-Y13 HydrophobicContact CD1-CE2 4.34Å; F7-Y13 AromaticContact CD1-CG 3.78Å; F7-Y13 HydrophobicContact CD1-CG 3.78Å; F7-M18 HydrophobicContact CB-CE 3.43Å; F7-M18 VanDerWaalsContact CB-CE 3.43Å; F7-M18 HydrophobicContact CB-SD 3.95Å; F7-M18 HydrophobicContact CD2-CE 3.73Å; F7-M18 HydrophobicContact CG-CE 3.75Å; F7-M18 HydrophobicContact CG-SD 4.19Å |
| 8 | E | 68.9 | Low | 68.7 | Low | 151 Ų | 151 | 108.4 Ų | 108.4 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.8 | -25.5 | 173.4 | -64.8 | -179 | -176.2 | 0 | 0 | 112 | S5 I6 F10 | S5-E8 WeakPolarHBondContact O-CB 3.37Å; S5-E8 PolarHBondContact O-N 3.02Å; I6-E8 VanDerWaalsContact C-N 3.34Å; I6-E8 PolarHBondContact O-N 3.35Å; E8-F10 VanDerWaalsContact C-N 3.29Å |
| 9 | S | 75.3 | Confident | 68.9 | Low | 87 Ų | 87 | 115.2 Ų | 115.2 | 61% | 0.608 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -76.2 | -17 | 176 | -60.6 | 0 | 0 | 0 | 0 | 113.2 | I6 F7 P11 | I6-S9 VanDerWaalsContact O-N 3.17Å; I6-S9 PolarHBondContact O-N 2.96Å; I6-S9 WeakPolarHBondContact O-CB 3.43Å; F7-S9 VanDerWaalsContact C-N 3.3Å; S9-P11 WeakPolarHBondContact O-CD 3.22Å |
| 10 | F | 77.1 | Confident | 68.8 | Low | 121 Ų | 121 | 117.5 Ų | 117.5 | 53% | 0.531 | 63% | 0.629 | S | S | . | * | | | trans | -120.8 | 89.9 | -179 | -65.5 | -69.6 | 0 | 0 | 0 | 110.2 | I6 F7 E8 S12 Y13 | I6-F10 WeakPolarHBondContact O-CD2 3.16Å; I6-F10 PolarHBondContact O-N 3.02Å; F7-F10 PolarHBondContact O-N 3.25Å; E8-F10 VanDerWaalsContact C-N 3.29Å; F10-S12 PolarHBondContact O-N 3.37Å; F10-Y13 PolarHBondContact O-N 3.17Å; F10-Y13 WeakPolarHBondContact O-CB 3.39Å |
| 11 | P | 66.4 | Low | 68.2 | Low | 132 Ų | 132 | 124.6 Ų | 124.6 | 86% | 0.857 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -14.5 | -175.5 | 21.3 | -31.2 | 0 | 0 | 0 | 114.4 | S9 | S9-P11 WeakPolarHBondContact O-CD 3.22Š|
| 12 | S | 72.4 | Confident | 69.3 | Low | 108 Ų | 108 | 119.3 Ų | 119.3 | 76% | 0.755 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 9.2 | 175.4 | 66.8 | 0 | 0 | 0 | 0 | 113.9 | F10 | F10-S12 PolarHBondContact O-N 3.37Š|
| 13 | Y | 75.5 | Confident | 69.8 | Low | 84 Ų | 84 | 120.9 Ų | 120.9 | 33% | 0.329 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -64.2 | 127.8 | 179.3 | -167.7 | -94.2 | 0 | 0 | 0 | 109.6 | F7 F10 Q15 F17 | F7-Y13 AromaticContact CE1-CZ 3.43Å; F7-Y13 HydrophobicContact CZ-CE1 4.27Å; F7-Y13 HydrophobicContact CG-CD1 4.32Å; F7-Y13 VanDerWaalsContact CE1-CZ 3.43Å; F7-Y13 HydrophobicContact CE1-CG 4.34Å; F7-Y13 HydrophobicContact CE1-CE2 4.14Å; F7-Y13 HydrophobicContact CE1-CE1 3.18Å; F7-Y13 AromaticContact CE1-CE1 3.18Å; F7-Y13 HydrophobicContact CE1-CD1 3.69Å; F7-Y13 AromaticContact CD1-CZ 3.9Å; F7-Y13 AromaticContact CE1-CD1 3.69Å; F7-Y13 AromaticContact CD1-CD1 3.3Å; F7-Y13 HydrophobicContact CD1-CD1 3.3Å; F7-Y13 HydrophobicContact CD1-CD2 4.28Å; F7-Y13 AromaticContact CD1-CE1 3.36Å; F7-Y13 HydrophobicContact CD1-CE1 3.36Å; F7-Y13 HydrophobicContact CD1-CE2 4.34Å; F7-Y13 AromaticContact CD1-CG 3.78Å; F7-Y13 HydrophobicContact CD1-CG 3.78Å; F10-Y13 PolarHBondContact O-N 3.17Å; F10-Y13 WeakPolarHBondContact O-CB 3.39Å; Y13-Q15 PolarHBondContact O-N 3.46Å; Y13-Q15 PolarHBondContact O-NE2 2.66Å; Y13-F17 HydrophobicContact CE1-CB 4.17Å; Y13-F17 HydrophobicContact CE1-CD2 4.38Å |
| 14 | P | 72.4 | Confident | 70.3 | Confident | 65 Ų | 65 | 122.7 Ų | 122.7 | 42% | 0.422 | 63% | 0.631 | S | S | . | * | | | trans | -59.4 | 113.8 | -175.3 | -20.9 | 30.4 | 0 | 0 | 0 | 110.5 | C16 F17 | P14-C16 PolarHBondContact O-N 3.31Å; P14-F17 HydrophobicContact CB-CD2 4.03Å; P14-F17 HydrophobicContact CB-CE2 4.16Å; P14-F17 HydrophobicContact CG-CE2 4.42Å; P14-F17 PolarHBondContact O-N 3.4Å |
| 15 | Q | 70.8 | Confident | 70.6 | Confident | 124 Ų | 124 | 121.6 Ų | 121.6 | 58% | 0.579 | 62% | 0.623 | S | S | * | * | G | 310 helix | trans | -60.3 | -15.9 | 176.9 | -61.3 | -64.5 | -70.3 | 0 | 0 | 111.9 | Y13 F17 M18 | Y13-Q15 PolarHBondContact O-N 3.46Å; Y13-Q15 PolarHBondContact O-NE2 2.66Å; Q15-F17 PolarHBondContact O-N 3.47Å; Q15-M18 VanDerWaalsContact CD-SD 3.54Å; Q15-M18 PolarHBondContact NE2-SD 2.81Å; Q15-M18 PolarHBondContact O-N 3.03Å; Q15-M18 PolarHBondContact OE1-SD 3.03Å; Q15-M18 VanDerWaalsContact OE1-SD 3.35Å |
| 16 | C | 72.8 | Confident | 70.5 | Confident | 121 Ų | 121 | 127.4 Ų | 127.4 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -54.9 | -20.6 | 174.4 | -53.5 | 0 | 0 | 0 | 0 | 114.6 | P14 | P14-C16 PolarHBondContact O-N 3.31Š|
| 17 | F | 69.9 | Low | 70.4 | Confident | 147 Ų | 147 | 128.7 Ų | 128.7 | 65% | 0.645 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -99.9 | -10.3 | 177.7 | -62.9 | -75 | 0 | 0 | 0 | 113.6 | Y13 P14 Q15 R19 | Y13-F17 HydrophobicContact CE1-CB 4.17Å; Y13-F17 HydrophobicContact CE1-CD2 4.38Å; P14-F17 HydrophobicContact CB-CD2 4.03Å; P14-F17 HydrophobicContact CB-CE2 4.16Å; P14-F17 HydrophobicContact CG-CE2 4.42Å; P14-F17 PolarHBondContact O-N 3.4Å; Q15-F17 PolarHBondContact O-N 3.47Å; F17-R19 PolarHBondContact O-N 2.91Å; F17-R19 VanDerWaalsContact O-N 3.15Å |
| 18 | M | 69.3 | Low | 70.5 | Confident | 63 Ų | 63 | 133.4 Ų | 133.4 | 31% | 0.31 | 68% | 0.683 | S | S | . | * | | | trans | -82.5 | 93.5 | 175.4 | -60 | -178.1 | 87.3 | 0 | 0 | 106.2 | F7 Q15 D20 | F7-M18 HydrophobicContact CB-CE 3.43Å; F7-M18 VanDerWaalsContact CB-CE 3.43Å; F7-M18 HydrophobicContact CB-SD 3.95Å; F7-M18 HydrophobicContact CD2-CE 3.73Å; F7-M18 HydrophobicContact CG-CE 3.75Å; F7-M18 HydrophobicContact CG-SD 4.19Å; Q15-M18 VanDerWaalsContact CD-SD 3.54Å; Q15-M18 PolarHBondContact NE2-SD 2.81Å; Q15-M18 PolarHBondContact O-N 3.03Å; Q15-M18 PolarHBondContact OE1-SD 3.03Å; Q15-M18 VanDerWaalsContact OE1-SD 3.35Å; M18-D20 PolarHBondContact O-N 3.27Å |
| 19 | R | 73.1 | Confident | 70.6 | Confident | 238 Ų | 238 | 132.1 Ų | 132.1 | 90% | 0.898 | 68% | 0.681 | S | S | * | * | | | trans | -82.8 | 104.4 | 177.8 | -169.8 | 178.3 | -71.3 | -163.7 | -2.2 | 107 | F17 E21 | F17-R19 PolarHBondContact O-N 2.91Å; F17-R19 VanDerWaalsContact O-N 3.15Å; R19-E21 PolarHBondContact O-N 3.15Å |
| 20 | D | 66.2 | Low | 70.2 | Confident | 161 Ų | 161 | 135.8 Ų | 135.8 | 86% | 0.861 | 69% | 0.687 | S | S | * | * | | | trans | -64.4 | 115.7 | 171.4 | -61.3 | -62.3 | 0 | 0 | 0 | 108.5 | M18 | M18-D20 PolarHBondContact O-N 3.27Š|
| 21 | E | 56.8 | Low | 69.6 | Low | 266 Ų | 266 | 137.2 Ų | 137.2 | 100% | 1.243 | 70% | 0.702 | S | S | * | * | | | trans | -90.1 | 0 | 162.7 | -173.7 | 171.8 | 110.6 | 0 | 0 | 109.5 | R19 | R19-E21 PolarHBondContact O-N 3.15Š|