| 1 | M | 50.5 | Low | 60.1 | Low | 232 Ų | 232 | 114 Ų | 114 | 100% | 1.143 | 65% | 0.651 | S | S | * | * | | | | 0 | 108.4 | 0 | -72.8 | -160 | 111.5 | 0 | 0 | 107.5 | | |
| 2 | A | 55.7 | Low | 60.8 | Low | 104 Ų | 104 | 114.1 Ų | 114.1 | 86% | 0.86 | 66% | 0.664 | S | S | * | * | | | trans | -149.1 | 57.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | | |
| 3 | S | 55.6 | Low | 61.2 | Low | 81 Ų | 81 | 112.7 Ų | 112.7 | 57% | 0.566 | 64% | 0.642 | S | S | * | * | | | trans | -134.1 | -2.8 | 175.8 | -137.4 | 0 | 0 | 0 | 0 | 114.1 | S5 | S3-S5 PolarHBondContact O-N 3.34Š|
| 4 | D | 58.1 | Low | 61.8 | Low | 119 Ų | 119 | 110 Ų | 110 | 64% | 0.636 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -75.6 | -10.7 | 177.4 | -59 | -59.9 | 0 | 0 | 0 | 113.1 | | |
| 5 | S | 62.7 | Low | 62.2 | Low | 88 Ų | 88 | 108.3 Ų | 108.3 | 62% | 0.615 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -90.2 | -22.4 | -166.4 | -175.6 | 0 | 0 | 0 | 0 | 116.4 | S3 S9 | S3-S5 PolarHBondContact O-N 3.34Å; S5-S9 PolarHBondContact O-OG 2.93Å |
| 6 | I | 64.4 | Low | 62.4 | Low | 105 Ų | 105 | 107.9 Ų | 107.9 | 54% | 0.538 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -83.4 | -32.7 | -174.5 | -57.9 | 176.7 | 0 | 0 | 0 | 110.8 | F10 | I6-F10 WeakPolarHBondContact O-CD2 3.48Å |
| 7 | F | 59.5 | Low | 62.5 | Low | 45 Ų | 45 | 108.2 Ų | 108.2 | 20% | 0.197 | 61% | 0.612 | C | S | . | * | H | α-helix | trans | -85 | -31.7 | -173.9 | -66.1 | -80.3 | 0 | 0 | 0 | 113.8 | S9 Q15 M18 I22 | F7-S9 PolarHBondContact O-N 3.15Å; F7-Q15 VanDerWaalsContact CD1-OE1 3.3Å; F7-Q15 PolarHBondContact O-NE2 3.49Å; F7-M18 HydrophobicContact CZ-SD 3.51Å; F7-M18 VanDerWaalsContact CZ-SD 3.51Å; F7-M18 HydrophobicContact CZ-CG 4.31Å; F7-M18 HydrophobicContact CZ-CE 3.79Å; F7-M18 HydrophobicContact CZ-CB 3.99Å; F7-M18 HydrophobicContact CG-CE 4.43Å; F7-M18 WeakPolarHBondContact CE1-SD 3.41Å; F7-M18 HydrophobicContact CE1-SD 3.23Å; F7-M18 HydrophobicContact CE1-CE 3.09Å; F7-M18 VanDerWaalsContact CE1-CB 3.41Å; F7-M18 HydrophobicContact CE1-CB 3.41Å; F7-M18 HydrophobicContact CD1-SD 4.2Å; F7-M18 VanDerWaalsContact CD1-CE 3.45Å; F7-M18 HydrophobicContact CD1-CE 3.45Å; F7-M18 HydrophobicContact CD1-CB 4.5Å; F7-M18 HydrophobicContact CE1-CG 3.66Å; F7-I22 HydrophobicContact CE2-CD1 4.12Å; F7-I22 HydrophobicContact CZ-CD1 3.57Å |
| 8 | E | 60.3 | Low | 62.6 | Low | 164 Ų | 164 | 104.1 Ų | 104.1 | 77% | 0.766 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.6 | -24.8 | 173.6 | -79.2 | -159.3 | 105.3 | 0 | 0 | 112.8 | F10 | E8-F10 VanDerWaalsContact C-N 3.26Å; E8-F10 PolarHBondContact O-N 3.48Å |
| 9 | S | 67.4 | Low | 62.7 | Low | 78 Ų | 78 | 108.3 Ų | 108.3 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.8 | -16.3 | -178.7 | -60.8 | 0 | 0 | 0 | 0 | 113.5 | S5 F7 | S5-S9 PolarHBondContact O-OG 2.93Å; F7-S9 PolarHBondContact O-N 3.15Å |
| 10 | F | 66.5 | Low | 62.9 | Low | 119 Ų | 119 | 110 Ų | 110 | 52% | 0.522 | 60% | 0.597 | S | S | . | * | | | trans | -129.9 | 80.2 | -178.9 | -58.9 | -83.3 | 0 | 0 | 0 | 111.2 | I6 E8 S12 Y13 | I6-F10 WeakPolarHBondContact O-CD2 3.48Å; E8-F10 VanDerWaalsContact C-N 3.26Å; E8-F10 PolarHBondContact O-N 3.48Å; F10-S12 PolarHBondContact O-N 2.76Å; F10-Y13 PolarHBondContact O-N 3.05Å |
| 11 | P | 60.1 | Low | 63 | Low | 119 Ų | 119 | 107.2 Ų | 107.2 | 77% | 0.773 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.5 | -19.4 | -177 | 21.7 | -32.4 | 0 | 0 | 0 | 113.9 | | |
| 12 | S | 69.3 | Low | 63.6 | Low | 115 Ų | 115 | 100.6 Ų | 100.6 | 80% | 0.804 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | -1.1 | 179 | -41.8 | 0 | 0 | 0 | 0 | 114.3 | F10 | F10-S12 PolarHBondContact O-N 2.76Š|
| 13 | Y | 65.8 | Low | 64 | Low | 96 Ų | 96 | 101.7 Ų | 101.7 | 38% | 0.376 | 54% | 0.544 | S | S | . | . | S | Bend | trans | -70.4 | 130.9 | 176.7 | -164.5 | -84.5 | 0 | 0 | 0 | 108.4 | F10 Q15 F17 M18 | F10-Y13 PolarHBondContact O-N 3.05Å; Y13-Q15 PolarHBondContact O-N 3.13Å; Y13-F17 HydrophobicContact CE1-CD1 4.43Å; Y13-M18 HydrophobicContact CD1-CE 3.66Å; Y13-M18 HydrophobicContact CD1-CG 3.71Å; Y13-M18 HydrophobicContact CD1-SD 4.44Å; Y13-M18 HydrophobicContact CE1-CB 4.42Å; Y13-M18 HydrophobicContact CE1-CE 3.79Å; Y13-M18 HydrophobicContact CE1-CG 3.18Å; Y13-M18 HydrophobicContact CE1-SD 4.03Å; Y13-M18 HydrophobicContact CG-CE 4.24Å |
| 14 | P | 69.3 | Low | 64.4 | Low | 75 Ų | 75 | 101 Ų | 101 | 49% | 0.487 | 55% | 0.55 | S | S | . | * | | | trans | -61.9 | 97.6 | -178 | 22.7 | -31.1 | 0 | 0 | 0 | 109.8 | C16 F17 M18 | P14-C16 VanDerWaalsContact O-N 3.15Å; P14-C16 PolarHBondContact O-N 2.84Å; P14-F17 HydrophobicContact CB-CB 4.21Å; P14-F17 PolarHBondContact O-N 3.01Å; P14-F17 HydrophobicContact CG-CB 4.11Å; P14-F17 WeakPolarHBondContact O-CB 3.02Å; P14-M18 PolarHBondContact O-N 3.03Å |
| 15 | Q | 67.6 | Low | 64.5 | Low | 85 Ų | 85 | 102.5 Ų | 102.5 | 40% | 0.397 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -56.6 | -31.5 | 179.5 | -62.2 | -68.1 | -35.2 | 0 | 0 | 111 | F7 Y13 F17 R19 | F7-Q15 VanDerWaalsContact CD1-OE1 3.3Å; F7-Q15 PolarHBondContact O-NE2 3.49Å; Y13-Q15 PolarHBondContact O-N 3.13Å; Q15-F17 VanDerWaalsContact C-N 3.31Å; Q15-F17 PolarHBondContact O-N 3.41Å; Q15-R19 WeakPolarHBondContact O-CB 3.33Å; Q15-R19 PolarHBondContact O-N 2.83Å; Q15-R19 VanDerWaalsContact O-N 3.13Å |
| 16 | C | 65.2 | Low | 64.4 | Low | 101 Ų | 101 | 104.5 Ų | 104.5 | 68% | 0.682 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -56.7 | -42.7 | 173.4 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | P14 E20 | P14-C16 VanDerWaalsContact O-N 3.15Å; P14-C16 PolarHBondContact O-N 2.84Å; C16-E20 PolarHBondContact O-N 3.25Å |
| 17 | F | 63.9 | Low | 64.1 | Low | 114 Ų | 114 | 104.2 Ų | 104.2 | 50% | 0.5 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -71.3 | -46 | -176.4 | -176.1 | -102.5 | 0 | 0 | 0 | 112.1 | Y13 P14 Q15 R19 E20 C21 | Y13-F17 HydrophobicContact CE1-CD1 4.43Å; P14-F17 HydrophobicContact CB-CB 4.21Å; P14-F17 PolarHBondContact O-N 3.01Å; P14-F17 HydrophobicContact CG-CB 4.11Å; P14-F17 WeakPolarHBondContact O-CB 3.02Å; Q15-F17 VanDerWaalsContact C-N 3.31Å; Q15-F17 PolarHBondContact O-N 3.41Å; F17-R19 VanDerWaalsContact C-N 3.34Å; F17-R19 PolarHBondContact O-N 2.97Å; F17-E20 PolarHBondContact O-N 3.46Å; F17-C21 VanDerWaalsContact CE1-SG 3.55Å; F17-C21 PolarHBondContact O-N 3.06Å; F17-C21 PolarHBondContact O-SG 3.37Å |
| 18 | M | 65.7 | Low | 64.1 | Low | 33 Ų | 33 | 105.9 Ų | 105.9 | 16% | 0.163 | 58% | 0.581 | C | S | . | * | H | α-helix | trans | -67.6 | -33.7 | 178.5 | -75.5 | -133 | -112.5 | 0 | 0 | 113.3 | F7 Y13 P14 E20 C21 I22 | F7-M18 HydrophobicContact CZ-SD 3.51Å; F7-M18 VanDerWaalsContact CZ-SD 3.51Å; F7-M18 HydrophobicContact CZ-CG 4.31Å; F7-M18 HydrophobicContact CZ-CE 3.79Å; F7-M18 HydrophobicContact CZ-CB 3.99Å; F7-M18 HydrophobicContact CG-CE 4.43Å; F7-M18 WeakPolarHBondContact CE1-SD 3.41Å; F7-M18 HydrophobicContact CE1-SD 3.23Å; F7-M18 HydrophobicContact CE1-CE 3.09Å; F7-M18 VanDerWaalsContact CE1-CB 3.41Å; F7-M18 HydrophobicContact CE1-CB 3.41Å; F7-M18 HydrophobicContact CD1-SD 4.2Å; F7-M18 VanDerWaalsContact CD1-CE 3.45Å; F7-M18 HydrophobicContact CD1-CE 3.45Å; F7-M18 HydrophobicContact CD1-CB 4.5Å; F7-M18 HydrophobicContact CE1-CG 3.66Å; Y13-M18 HydrophobicContact CD1-CE 3.66Å; Y13-M18 HydrophobicContact CD1-CG 3.71Å; Y13-M18 HydrophobicContact CD1-SD 4.44Å; Y13-M18 HydrophobicContact CE1-CB 4.42Å; Y13-M18 HydrophobicContact CE1-CE 3.79Å; Y13-M18 HydrophobicContact CE1-CG 3.18Å; Y13-M18 HydrophobicContact CE1-SD 4.03Å; Y13-M18 HydrophobicContact CG-CE 4.24Å; P14-M18 PolarHBondContact O-N 3.03Å; M18-E20 VanDerWaalsContact C-N 3.27Å; M18-E20 PolarHBondContact O-N 3.25Å; M18-C21 PolarHBondContact O-N 3.43Å; M18-I22 PolarHBondContact O-N 3.44Å; M18-I22 WeakPolarHBondContact O-CG1 3.38Å |
| 19 | R | 64.1 | Low | 64.1 | Low | 184 Ų | 184 | 109.3 Ų | 109.3 | 69% | 0.694 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -59.2 | -43.8 | 174.6 | 177.6 | 179.3 | -89.4 | -169.4 | -4.9 | 110.1 | Q15 F17 I22 L23 | Q15-R19 WeakPolarHBondContact O-CB 3.33Å; Q15-R19 PolarHBondContact O-N 2.83Å; Q15-R19 VanDerWaalsContact O-N 3.13Å; F17-R19 VanDerWaalsContact C-N 3.34Å; F17-R19 PolarHBondContact O-N 2.97Å; R19-I22 PolarHBondContact O-N 3.01Å; R19-L23 HydrophobicContact CG-CD1 3.77Å; R19-L23 HydrophobicContact CG-CG 4.48Å; R19-L23 WeakPolarHBondContact O-CB 3.23Å; R19-L23 WeakPolarHBondContact O-CD1 3.19Å; R19-L23 WeakPolarHBondContact O-CG 3.47Å; R19-L23 PolarHBondContact O-N 3.19Å |
| 20 | E | 65.6 | Low | 63.6 | Low | 142 Ų | 142 | 112.2 Ų | 112.2 | 66% | 0.664 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.7 | -39.6 | 174.3 | -73.2 | -171.6 | 98.3 | 0 | 0 | 112.4 | C16 F17 M18 L23 G24 | C16-E20 PolarHBondContact O-N 3.25Å; F17-E20 PolarHBondContact O-N 3.46Å; M18-E20 VanDerWaalsContact C-N 3.27Å; M18-E20 PolarHBondContact O-N 3.25Å; E20-L23 PolarHBondContact O-N 3.44Å; E20-G24 PolarHBondContact O-N 3.09Å |
| 21 | C | 65 | Low | 63.3 | Low | 53 Ų | 53 | 112.2 Ų | 112.2 | 36% | 0.358 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -62.3 | -44.3 | 175.3 | -63.5 | 0 | 0 | 0 | 0 | 112.5 | F17 M18 M25 | F17-C21 VanDerWaalsContact CE1-SG 3.55Å; F17-C21 PolarHBondContact O-N 3.06Å; F17-C21 PolarHBondContact O-SG 3.37Å; M18-C21 PolarHBondContact O-N 3.43Å; C21-M25 WeakPolarHBondContact O-CB 3.49Å; C21-M25 PolarHBondContact O-N 3.46Å |
| 22 | I | 64.8 | Low | 63.3 | Low | 92 Ų | 92 | 115.2 Ų | 115.2 | 47% | 0.472 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.7 | -40.3 | -179.7 | -67.5 | 163.4 | 0 | 0 | 0 | 111 | F7 M18 R19 | F7-I22 HydrophobicContact CE2-CD1 4.12Å; F7-I22 HydrophobicContact CZ-CD1 3.57Å; M18-I22 PolarHBondContact O-N 3.44Å; M18-I22 WeakPolarHBondContact O-CG1 3.38Å; R19-I22 PolarHBondContact O-N 3.01Å |
| 23 | L | 63.8 | Low | 62.7 | Low | 128 Ų | 128 | 117.9 Ų | 117.9 | 67% | 0.67 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.7 | -35.3 | 179.3 | -67.3 | 171.7 | 0 | 0 | 0 | 112.2 | R19 E20 | R19-L23 HydrophobicContact CG-CD1 3.77Å; R19-L23 HydrophobicContact CG-CG 4.48Å; R19-L23 WeakPolarHBondContact O-CB 3.23Å; R19-L23 WeakPolarHBondContact O-CD1 3.19Å; R19-L23 WeakPolarHBondContact O-CG 3.47Å; R19-L23 PolarHBondContact O-N 3.19Å; E20-L23 PolarHBondContact O-N 3.44Å |
| 24 | G | 63.1 | Low | 62.3 | Low | 67 Ų | 67 | 125.9 Ų | 125.9 | 69% | 0.691 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -80.7 | -14.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E20 | E20-G24 PolarHBondContact O-N 3.09Å |
| 25 | M | 61.2 | Low | 61.9 | Low | 150 Ų | 150 | 128.5 Ų | 128.5 | 74% | 0.739 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.5 | 21.7 | -175.9 | -157.8 | 158.4 | 85.4 | 0 | 0 | 113.4 | C21 P27 | C21-M25 WeakPolarHBondContact O-CB 3.49Å; C21-M25 PolarHBondContact O-N 3.46Å; M25-P27 WeakPolarHBondContact O-CD 2.93Å |
| 26 | N | 60.3 | Low | 61.6 | Low | 130 Ų | 130 | 130.7 Ų | 130.7 | 70% | 0.695 | 68% | 0.677 | S | S | * | * | | | trans | -91 | 87.5 | 157.2 | -94.5 | -82 | 0 | 0 | 0 | 109.1 | S28 | N26-S28 PolarHBondContact O-N 3.34Å; N26-S28 VanDerWaalsContact O-N 3.09Å |
| 27 | P | 57.5 | Low | 61.4 | Low | 98 Ų | 98 | 132.4 Ų | 132.4 | 64% | 0.636 | 68% | 0.677 | S | S | * | * | | | trans | -61.8 | 113.6 | 151.3 | 28.2 | -28.1 | 0 | 0 | 0 | 105.5 | M25 R29 | M25-P27 WeakPolarHBondContact O-CD 2.93Å; P27-R29 PolarHBondContact O-N 3.05Å |
| 28 | S | 60.4 | Low | 61.3 | Low | 80 Ų | 80 | 133.5 Ų | 133.5 | 56% | 0.559 | 69% | 0.688 | S | S | * | * | | | trans | -49.1 | 111.6 | 169.8 | 172.4 | 0 | 0 | 0 | 0 | 107.1 | N26 D30 | N26-S28 PolarHBondContact O-N 3.34Å; N26-S28 VanDerWaalsContact O-N 3.09Å; S28-D30 PolarHBondContact O-N 2.91Å; S28-D30 PolarHBondContact OG-OD2 3.44Å |
| 29 | R | 59.2 | Low | 61 | Low | 237 Ų | 237 | 139.8 Ų | 139.8 | 89% | 0.894 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -76.2 | 20.2 | 179.7 | -78.7 | 179.2 | 60.8 | -163.2 | -3.3 | 111.6 | P27 | P27-R29 PolarHBondContact O-N 3.05Š|
| 30 | D | 57.9 | Low | 60.8 | Low | 139 Ų | 139 | 136.8 Ų | 136.8 | 74% | 0.743 | 72% | 0.722 | S | S | * | * | | | trans | -106.4 | 29.5 | -173.2 | -63.2 | -82.1 | 0 | 0 | 0 | 112.4 | S28 | S28-D30 PolarHBondContact O-N 2.91Å; S28-D30 PolarHBondContact OG-OD2 3.44Å |
| 31 | V | 59.3 | Low | 60.4 | Low | 118 Ų | 118 | 136.4 Ų | 136.4 | 72% | 0.715 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -119.5 | 14.4 | 176.9 | -167.1 | 0 | 0 | 0 | 0 | 112.6 | | |
| 32 | H | 61.1 | Low | 60.1 | Low | 182 Ų | 182 | 142.8 Ų | 142.8 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | | | trans | -138.8 | 70.9 | 169.6 | -86.5 | 38.8 | 0 | 0 | 0 | 109.8 | | |
| 33 | D | 56.3 | Low | 59.7 | Low | 171 Ų | 171 | 147.1 Ų | 147.1 | 91% | 0.914 | 78% | 0.778 | S | S | * | * | | | trans | -137.6 | 80.4 | 152.5 | -156 | -106 | 0 | 0 | 0 | 105.1 | | |
| 34 | E | 56.2 | Low | 59.3 | Low | 265 Ų | 265 | 148.8 Ų | 148.8 | 100% | 1.238 | 79% | 0.788 | S | S | * | * | | | trans | -104.5 | 0 | 162 | -173.2 | -172.4 | 101.4 | 0 | 0 | 107.5 | | |