| 1 | M | 64.7 | Low | 63.4 | Low | 192 Ų | 192 | 144.2 Ų | 144.2 | 95% | 0.946 | 68% | 0.675 | S | S | * | * | | | | 0 | -40.2 | 0 | -138.7 | 173.6 | -174.8 | 0 | 0 | 112.1 | Y3 L4 | M1-Y3 VanDerWaalsContact C-N 3.3Å; M1-Y3 PolarHBondContact O-N 3.04Å; M1-Y3 VanDerWaalsContact O-N 3.16Å; M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.03Å |
| 2 | F | 63.3 | Low | 62.5 | Low | 185 Ų | 185 | 138.8 Ų | 138.8 | 81% | 0.811 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -51.8 | -34 | 176.1 | -82.2 | -89.2 | 0 | 0 | 0 | 117 | L4 L6 | F2-L4 VanDerWaalsContact C-N 3.33Å; F2-L6 PolarHBondContact O-N 2.99Å |
| 3 | Y | 64.1 | Low | 62.1 | Low | 192 Ų | 192 | 141.3 Ų | 141.3 | 75% | 0.753 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -71.5 | -27.1 | 177.9 | -79.5 | -81.8 | 0 | 0 | 0 | 113.6 | M1 T7 | M1-Y3 VanDerWaalsContact C-N 3.3Å; M1-Y3 PolarHBondContact O-N 3.04Å; M1-Y3 VanDerWaalsContact O-N 3.16Å; Y3-T7 WeakPolarHBondContact O-CB 3.48Å; Y3-T7 PolarHBondContact O-N 2.74Å; Y3-T7 VanDerWaalsContact O-N 3.08Å; Y3-T7 PolarHBondContact O-OG1 3.36Å |
| 4 | L | 62.8 | Low | 62 | Low | 124 Ų | 124 | 143.2 Ų | 143.2 | 65% | 0.649 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -69.9 | -41.9 | 177.5 | -69.5 | 160.2 | 0 | 0 | 0 | 109.9 | M1 F2 T7 L8 | M1-L4 WeakPolarHBondContact O-CB 3.47Å; M1-L4 PolarHBondContact O-N 3.03Å; F2-L4 VanDerWaalsContact C-N 3.33Å; L4-T7 PolarHBondContact O-N 3.19Å; L4-L8 VanDerWaalsContact O-CB 3.27Å; L4-L8 WeakPolarHBondContact O-CB 3.45Å; L4-L8 PolarHBondContact O-N 3.09Å |
| 5 | D | 65.3 | Low | 61.2 | Low | 102 Ų | 102 | 142.3 Ų | 142.3 | 55% | 0.545 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -63.7 | -43.9 | 177.3 | -63.4 | -48.6 | 0 | 0 | 0 | 111.6 | T7 L8 F9 | D5-T7 PolarHBondContact O-N 3.26Å; D5-L8 PolarHBondContact O-N 2.95Å; D5-F9 VanDerWaalsContact O-CB 3.23Å; D5-F9 WeakPolarHBondContact O-CB 3.28Å; D5-F9 PolarHBondContact O-N 2.72Å |
| 6 | L | 65.5 | Low | 60.3 | Low | 105 Ų | 105 | 138.3 Ų | 138.3 | 55% | 0.55 | 71% | 0.705 | S | S | . | * | H | α-helix | trans | -69.2 | -34.2 | 179.5 | -160.2 | 66.9 | 0 | 0 | 0 | 112.9 | F2 F9 H10 | F2-L6 PolarHBondContact O-N 2.99Å; L6-F9 PolarHBondContact O-N 3.13Å; L6-H10 PolarHBondContact O-N 2.98Å |
| 7 | T | 69.2 | Low | 59.9 | Low | 84 Ų | 84 | 140.6 Ų | 140.6 | 52% | 0.515 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -73.1 | -35.4 | 175.6 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | Y3 L4 D5 R11 | Y3-T7 WeakPolarHBondContact O-CB 3.48Å; Y3-T7 PolarHBondContact O-N 2.74Å; Y3-T7 VanDerWaalsContact O-N 3.08Å; Y3-T7 PolarHBondContact O-OG1 3.36Å; L4-T7 PolarHBondContact O-N 3.19Å; D5-T7 PolarHBondContact O-N 3.26Å; T7-R11 WeakPolarHBondContact O-CB 3.12Å; T7-R11 PolarHBondContact O-N 3.17Å |
| 8 | L | 64.2 | Low | 59.6 | Low | 111 Ų | 111 | 143.8 Ų | 143.8 | 58% | 0.581 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -71.1 | -36.3 | 174.1 | -149.7 | 75.1 | 0 | 0 | 0 | 110.8 | L4 D5 R11 A12 | L4-L8 VanDerWaalsContact O-CB 3.27Å; L4-L8 WeakPolarHBondContact O-CB 3.45Å; L4-L8 PolarHBondContact O-N 3.09Å; D5-L8 PolarHBondContact O-N 2.95Å; L8-R11 PolarHBondContact O-N 2.68Å; L8-A12 PolarHBondContact O-N 2.97Å |
| 9 | F | 59.2 | Low | 59.4 | Low | 156 Ų | 156 | 141 Ų | 141 | 68% | 0.684 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -68.6 | -39.9 | 176.4 | -152.7 | -91.6 | 0 | 0 | 0 | 112.1 | D5 L6 R11 A12 | D5-F9 VanDerWaalsContact O-CB 3.23Å; D5-F9 WeakPolarHBondContact O-CB 3.28Å; D5-F9 PolarHBondContact O-N 2.72Å; L6-F9 PolarHBondContact O-N 3.13Å; F9-R11 VanDerWaalsContact C-N 3.28Å; F9-R11 PolarHBondContact O-N 2.94Å; F9-A12 PolarHBondContact O-N 3.08Å |
| 10 | H | 61.9 | Low | 59.5 | Low | 151 Ų | 151 | 142.7 Ų | 142.7 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -70.1 | -20.1 | 172.1 | -88.7 | -2 | 0 | 0 | 0 | 114.2 | L6 | L6-H10 PolarHBondContact O-N 2.98Å |
| 11 | R | 57 | Low | 59.5 | Low | 184 Ų | 184 | 139.1 Ų | 139.1 | 69% | 0.694 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -5 | 174.8 | -177 | 152.5 | 52.7 | 152 | -2.6 | 113.4 | T7 L8 F9 | T7-R11 WeakPolarHBondContact O-CB 3.12Å; T7-R11 PolarHBondContact O-N 3.17Å; L8-R11 PolarHBondContact O-N 2.68Å; F9-R11 VanDerWaalsContact C-N 3.28Å; F9-R11 PolarHBondContact O-N 2.94Å |
| 12 | A | 52.6 | Low | 59.4 | Low | 80 Ų | 80 | 135.4 Ų | 135.4 | 66% | 0.661 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -90.4 | 4.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L8 F9 | L8-A12 PolarHBondContact O-N 2.97Å; F9-A12 PolarHBondContact O-N 3.08Å |
| 13 | E | 57.4 | Low | 59.4 | Low | 171 Ų | 171 | 134.8 Ų | 134.8 | 80% | 0.799 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -109.5 | 29.2 | 176.8 | -73.7 | -165 | 154.6 | 0 | 0 | 113.5 | | |
| 14 | E | 60.3 | Low | 59.4 | Low | 168 Ų | 168 | 131.8 Ų | 131.8 | 79% | 0.785 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -125.6 | 132.9 | 168.4 | -155.1 | 175.2 | -169.5 | 0 | 0 | 109.8 | | |
| 15 | T | 50.2 | Low | 59.4 | Low | 130 Ų | 130 | 128.2 Ų | 128.2 | 80% | 0.798 | 69% | 0.687 | S | S | * | * | | | trans | 82.8 | 50.9 | -174 | 74.2 | 0 | 0 | 0 | 0 | 115.1 | E17 | T15-E17 VanDerWaalsContact C-N 3.32Å; T15-E17 PolarHBondContact O-N 2.75Å |
| 16 | G | 47.4 | Very low | 59.2 | Low | 78 Ų | 78 | 127.8 Ų | 127.8 | 80% | 0.804 | 69% | 0.692 | S | S | * | * | | | trans | -54.5 | 107.5 | 140.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | E18 | G16-E18 PolarHBondContact O-N 2.9Š|
| 17 | E | 53.2 | Low | 59 | Low | 178 Ų | 178 | 129 Ų | 129 | 83% | 0.832 | 70% | 0.698 | S | S | * | * | | | trans | -22.3 | 113.2 | 173.1 | -58.2 | 172 | 177.1 | 0 | 0 | 111.6 | T15 S19 | T15-E17 VanDerWaalsContact C-N 3.32Å; T15-E17 PolarHBondContact O-N 2.75Å; E17-S19 PolarHBondContact O-N 2.57Å |
| 18 | E | 55.1 | Low | 58.7 | Low | 198 Ų | 198 | 132.5 Ų | 132.5 | 93% | 0.925 | 71% | 0.708 | S | S | * | * | | | trans | -62.3 | 87.7 | 154.9 | -105.5 | -163.4 | 160.9 | 0 | 0 | 105.4 | G16 F20 | G16-E18 PolarHBondContact O-N 2.9Å; E18-F20 PolarHBondContact O-N 3.2Å |
| 19 | S | 55.4 | Low | 58.5 | Low | 90 Ų | 90 | 135.7 Ų | 135.7 | 63% | 0.629 | 72% | 0.72 | S | S | * | * | | | trans | -61.7 | 98.4 | 156.2 | 66.5 | 0 | 0 | 0 | 0 | 104 | E17 S21 | E17-S19 PolarHBondContact O-N 2.57Å; S19-S21 PolarHBondContact O-N 2.96Å |
| 20 | F | 60.7 | Low | 58.6 | Low | 175 Ų | 175 | 136.9 Ų | 136.9 | 77% | 0.768 | 73% | 0.725 | S | S | * | * | | | trans | -66.3 | 71.4 | 149.7 | -167.8 | -98.7 | 0 | 0 | 0 | 105.7 | E18 V22 | E18-F20 PolarHBondContact O-N 3.2Å; F20-V22 VanDerWaalsContact C-N 3.28Å; F20-V22 HydrophobicContact CD1-CG1 3.97Å; F20-V22 HydrophobicContact CE1-CG1 3.46Å; F20-V22 VanDerWaalsContact CE1-CG1 3.46Å; F20-V22 HydrophobicContact CZ-CG1 4.41Å; F20-V22 PolarHBondContact O-N 3.21Å |
| 21 | S | 59.1 | Low | 58.5 | Low | 68 Ų | 68 | 136.1 Ų | 136.1 | 48% | 0.476 | 73% | 0.726 | S | S | . | * | | | trans | -59.7 | 108.6 | 157.4 | 62 | 0 | 0 | 0 | 0 | 102.6 | S19 Q23 | S19-S21 PolarHBondContact O-N 2.96Å; S21-Q23 PolarHBondContact O-N 2.85Å |
| 22 | V | 63.7 | Low | 58.8 | Low | 114 Ų | 114 | 131.7 Ų | 131.7 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | | | trans | -55.1 | 93.5 | 150.2 | -82.2 | 0 | 0 | 0 | 0 | 104.6 | F20 N24 | F20-V22 VanDerWaalsContact C-N 3.28Å; F20-V22 HydrophobicContact CD1-CG1 3.97Å; F20-V22 HydrophobicContact CE1-CG1 3.46Å; F20-V22 VanDerWaalsContact CE1-CG1 3.46Å; F20-V22 HydrophobicContact CZ-CG1 4.41Å; F20-V22 PolarHBondContact O-N 3.21Å; V22-N24 PolarHBondContact O-N 3.46Å |
| 23 | Q | 62.1 | Low | 59.6 | Low | 172 Ų | 172 | 132.4 Ų | 132.4 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | | | trans | -62.1 | 88.5 | 155.7 | -81.1 | -178.3 | -1.2 | 0 | 0 | 103.2 | S21 G25 | S21-Q23 PolarHBondContact O-N 2.85Å; Q23-G25 PolarHBondContact O-N 3.15Å |
| 24 | N | 65.9 | Low | 60.6 | Low | 128 Ų | 128 | 128 Ų | 128 | 68% | 0.684 | 71% | 0.707 | S | S | * | * | | | trans | -66.1 | 73.8 | 148.4 | -169.2 | 18.6 | 0 | 0 | 0 | 104.2 | V22 S26 | V22-N24 PolarHBondContact O-N 3.46Å; N24-S26 PolarHBondContact O-N 3.43Å |
| 25 | G | 62.2 | Low | 61.3 | Low | 49 Ų | 49 | 126.2 Ų | 126.2 | 51% | 0.505 | 70% | 0.703 | S | S | . | * | | | trans | -49.7 | 135.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 105.7 | Q23 I27 | Q23-G25 PolarHBondContact O-N 3.15Å; G25-I27 PolarHBondContact O-N 3.47Å |
| 26 | S | 61.6 | Low | 62.8 | Low | 94 Ų | 94 | 125.1 Ų | 125.1 | 66% | 0.657 | 69% | 0.692 | S | S | * | * | | | trans | -27 | 101.5 | 178.8 | 173.8 | 0 | 0 | 0 | 0 | 109.3 | N24 H28 | N24-S26 PolarHBondContact O-N 3.43Å; S26-H28 VanDerWaalsContact C-N 3.26Å; S26-H28 PolarHBondContact O-N 3.35Å |
| 27 | I | 61.3 | Low | 64.5 | Low | 131 Ų | 131 | 126 Ų | 126 | 67% | 0.672 | 68% | 0.679 | S | S | * | * | | | trans | -50.9 | 105.6 | 170.6 | 31.1 | 167 | 0 | 0 | 0 | 103.3 | G25 Q29 | G25-I27 PolarHBondContact O-N 3.47Å; I27-Q29 PolarHBondContact O-N 3.41Å |
| 28 | H | 63.3 | Low | 65.8 | Low | 157 Ų | 157 | 123.1 Ų | 123.1 | 73% | 0.727 | 66% | 0.663 | S | S | * | * | | | trans | -43 | 112.3 | -175.4 | -65.8 | -78.7 | 0 | 0 | 0 | 104.4 | S26 K30 | S26-H28 VanDerWaalsContact C-N 3.26Å; S26-H28 PolarHBondContact O-N 3.35Å; H28-K30 WeakPolarHBondContact O-CA 3.27Å; H28-K30 PolarHBondContact O-N 3.1Å |
| 29 | Q | 59.4 | Low | 67 | Low | 178 Ų | 178 | 118.6 Ų | 118.6 | 83% | 0.832 | 64% | 0.642 | S | S | * | * | | | trans | -51.7 | 105.7 | 173.1 | -70 | 179.8 | 12.6 | 0 | 0 | 101.3 | I27 D31 | I27-Q29 PolarHBondContact O-N 3.41Å; Q29-D31 PolarHBondContact O-N 3.4Å |
| 30 | K | 60.3 | Low | 68.1 | Low | 180 Ų | 180 | 117.6 Ų | 117.6 | 78% | 0.783 | 63% | 0.634 | S | S | * | * | | | trans | -29.2 | 113.6 | -164.8 | -66 | 174.8 | 177.2 | -174.5 | 0 | 106.4 | H28 A32 | H28-K30 WeakPolarHBondContact O-CA 3.27Å; H28-K30 PolarHBondContact O-N 3.1Å; K30-A32 VanDerWaalsContact C-N 3.32Å; K30-A32 WeakPolarHBondContact O-CA 3.46Å; K30-A32 PolarHBondContact O-N 3.27Å |
| 31 | D | 60.3 | Low | 68.7 | Low | 135 Ų | 135 | 117.5 Ų | 117.5 | 72% | 0.722 | 63% | 0.629 | S | S | * | * | | | trans | -30.8 | 103.7 | -176 | -61.2 | -76.8 | 0 | 0 | 0 | 106.8 | Q29 V33 | Q29-D31 PolarHBondContact O-N 3.4Å; D31-V33 VanDerWaalsContact C-N 3.31Å; D31-V33 VanDerWaalsContact O-CA 3.3Å; D31-V33 WeakPolarHBondContact O-CA 3.41Å; D31-V33 PolarHBondContact O-N 2.85Å |
| 32 | A | 63.8 | Low | 69.3 | Low | 92 Ų | 92 | 119.8 Ų | 119.8 | 76% | 0.76 | 64% | 0.636 | S | S | * | * | | | trans | -51.3 | 104.8 | -155.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | K30 N34 | K30-A32 VanDerWaalsContact C-N 3.32Å; K30-A32 WeakPolarHBondContact O-CA 3.46Å; K30-A32 PolarHBondContact O-N 3.27Å; A32-N34 PolarHBondContact O-N 3.3Å |
| 33 | V | 68.5 | Low | 69.3 | Low | 95 Ų | 95 | 117 Ų | 117 | 58% | 0.576 | 62% | 0.621 | S | S | * | * | | | trans | -61.4 | 117 | -165.4 | -75.3 | 0 | 0 | 0 | 0 | 104.7 | D31 F38 | D31-V33 VanDerWaalsContact C-N 3.31Å; D31-V33 VanDerWaalsContact O-CA 3.3Å; D31-V33 WeakPolarHBondContact O-CA 3.41Å; D31-V33 PolarHBondContact O-N 2.85Å; V33-F38 HydrophobicContact CB-CE2 4.08Å; V33-F38 HydrophobicContact CB-CZ 4.43Å; V33-F38 HydrophobicContact CG2-CE2 4.12Å; V33-F38 HydrophobicContact CG2-CZ 4.46Å |
| 34 | N | 79.2 | Confident | 69.1 | Low | 79 Ų | 79 | 112.3 Ų | 112.3 | 42% | 0.422 | 61% | 0.607 | S | S | . | * | | | trans | -76.4 | 139.5 | -167.3 | -174.4 | 34.9 | 0 | 0 | 0 | 107 | A32 D36 D37 | A32-N34 PolarHBondContact O-N 3.3Å; N34-D36 VanDerWaalsContact ND2-CB 3.3Å; N34-D36 WeakPolarHBondContact ND2-CB 3.38Å; N34-D36 VanDerWaalsContact ND2-CG 3.32Å; N34-D36 PolarHBondContact ND2-OD2 3.25Å; N34-D36 PolarHBondContact O-N 3.01Å; N34-D36 VanDerWaalsContact O-N 3.1Å; N34-D37 PolarHBondContact N-OD2 3.1Å; N34-D37 VanDerWaalsContact O-CB 3.27Å; N34-D37 WeakPolarHBondContact O-CB 3.46Å; N34-D37 PolarHBondContact O-N 3.23Å |
| 35 | D | 74.6 | Confident | 68.7 | Low | 130 Ų | 130 | 113.2 Ų | 113.2 | 70% | 0.695 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -59.2 | -27.9 | -179 | -67.8 | -45.9 | 0 | 0 | 0 | 111.1 | D37 F38 E39 | D35-D37 PolarHBondContact O-N 3.35Å; D35-F38 PolarHBondContact O-N 2.69Å; D35-E39 PolarHBondContact O-N 3.18Å |
| 36 | D | 81.9 | Confident | 68.4 | Low | 106 Ų | 106 | 116.2 Ų | 116.2 | 57% | 0.567 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -60.2 | -23.8 | 173.7 | -58.5 | -44.8 | 0 | 0 | 0 | 113.8 | N34 F38 | N34-D36 VanDerWaalsContact ND2-CB 3.3Å; N34-D36 WeakPolarHBondContact ND2-CB 3.38Å; N34-D36 VanDerWaalsContact ND2-CG 3.32Å; N34-D36 PolarHBondContact ND2-OD2 3.25Å; N34-D36 PolarHBondContact O-N 3.01Å; N34-D36 VanDerWaalsContact O-N 3.1Å; D36-F38 PolarHBondContact O-N 2.89Å |
| 37 | D | 83.4 | Confident | 68.1 | Low | 98 Ų | 98 | 118.4 Ų | 118.4 | 52% | 0.524 | 62% | 0.621 | S | S | . | * | G | 310 helix | trans | -69.4 | -20.2 | 177.6 | -63.9 | -28.3 | 0 | 0 | 0 | 111.7 | N34 D35 | N34-D37 PolarHBondContact N-OD2 3.1Å; N34-D37 VanDerWaalsContact O-CB 3.27Å; N34-D37 WeakPolarHBondContact O-CB 3.46Å; N34-D37 PolarHBondContact O-N 3.23Å; D35-D37 PolarHBondContact O-N 3.35Å |
| 38 | F | 80.1 | Confident | 67.8 | Low | 116 Ų | 116 | 117 Ų | 117 | 51% | 0.509 | 61% | 0.611 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.4 | -16.7 | -177.6 | -57.8 | -78.7 | 0 | 0 | 0 | 113.9 | V33 D35 D36 P40 Y41 L42 | V33-F38 HydrophobicContact CB-CE2 4.08Å; V33-F38 HydrophobicContact CB-CZ 4.43Å; V33-F38 HydrophobicContact CG2-CE2 4.12Å; V33-F38 HydrophobicContact CG2-CZ 4.46Å; D35-F38 PolarHBondContact O-N 2.69Å; D36-F38 PolarHBondContact O-N 2.89Å; F38-P40 VanDerWaalsContact C-CD 3.4Å; F38-Y41 PolarHBondContact O-N 3.32Å; F38-Y41 VanDerWaalsContact O-N 3.1Å; F38-L42 PolarHBondContact O-N 3.04Å |
| 39 | E | 80.9 | Confident | 67.5 | Low | 104 Ų | 104 | 114.3 Ų | 114.3 | 49% | 0.486 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -48 | -43.7 | 174.7 | -76.3 | -74.8 | 150.1 | 0 | 0 | 115.6 | D35 Y41 L42 S43 | D35-E39 PolarHBondContact O-N 3.18Å; E39-Y41 PolarHBondContact O-N 2.72Å; E39-L42 PolarHBondContact O-N 3.29Å; E39-S43 WeakPolarHBondContact O-CB 3.48Å; E39-S43 PolarHBondContact O-N 2.69Å; E39-S43 PolarHBondContact O-OG 2.92Å |
| 40 | P | 78.3 | Confident | 67.2 | Low | 69 Ų | 69 | 112.6 Ų | 112.6 | 45% | 0.448 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.5 | -27.1 | -179.4 | 24.6 | -34.3 | 0 | 0 | 0 | 112.8 | F38 S43 S44 | F38-P40 VanDerWaalsContact C-CD 3.4Å; P40-S43 PolarHBondContact O-OG 2.74Å; P40-S44 WeakPolarHBondContact O-CB 3.17Å; P40-S44 PolarHBondContact O-N 2.78Å; P40-S44 PolarHBondContact O-OG 2.67Å |
| 41 | Y | 73.6 | Confident | 67 | Low | 172 Ų | 172 | 109 Ų | 109 | 68% | 0.675 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -80 | -34.2 | 177.7 | -57.5 | -76.2 | 0 | 0 | 0 | 111.8 | F38 E39 | F38-Y41 PolarHBondContact O-N 3.32Å; F38-Y41 VanDerWaalsContact O-N 3.1Å; E39-Y41 PolarHBondContact O-N 2.72Å |
| 42 | L | 70.3 | Confident | 66.5 | Low | 116 Ų | 116 | 110.7 Ų | 110.7 | 61% | 0.607 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -73.4 | -42.8 | 179.1 | -159.6 | 68 | 0 | 0 | 0 | 111.9 | F38 E39 S44 Q45 | F38-L42 PolarHBondContact O-N 3.04Å; E39-L42 PolarHBondContact O-N 3.29Å; L42-S44 VanDerWaalsContact C-N 3.32Å; L42-S44 PolarHBondContact O-N 2.91Å; L42-Q45 WeakPolarHBondContact O-CB 3.39Å; L42-Q45 PolarHBondContact O-N 2.69Å; L42-Q45 VanDerWaalsContact O-N 3.15Å |
| 43 | S | 63.6 | Low | 65.9 | Low | 56 Ų | 56 | 111.1 Ų | 111.1 | 39% | 0.392 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -69.2 | -27.4 | 177.3 | 56.3 | 0 | 0 | 0 | 0 | 113.7 | E39 P40 Q45 T46 N47 | E39-S43 WeakPolarHBondContact O-CB 3.48Å; E39-S43 PolarHBondContact O-N 2.69Å; E39-S43 PolarHBondContact O-OG 2.92Å; P40-S43 PolarHBondContact O-OG 2.74Å; S43-Q45 PolarHBondContact O-N 2.76Å; S43-T46 PolarHBondContact O-N 2.78Å; S43-T46 PolarHBondContact O-OG1 2.76Å; S43-N47 PolarHBondContact O-N 2.97Å |
| 44 | S | 59.8 | Low | 65.3 | Low | 73 Ų | 73 | 111.2 Ų | 111.2 | 51% | 0.51 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -65.3 | -24.1 | 172.2 | -68.1 | 0 | 0 | 0 | 0 | 112.5 | P40 L42 Q48 | P40-S44 WeakPolarHBondContact O-CB 3.17Å; P40-S44 PolarHBondContact O-N 2.78Å; P40-S44 PolarHBondContact O-OG 2.67Å; L42-S44 VanDerWaalsContact C-N 3.32Å; L42-S44 PolarHBondContact O-N 2.91Å; S44-Q48 WeakPolarHBondContact O-CG 3.27Å |
| 45 | Q | 56.4 | Low | 64.1 | Low | 147 Ų | 147 | 115.1 Ų | 115.1 | 69% | 0.687 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -82.8 | -34.8 | -179.8 | -159.5 | 155.5 | -50.6 | 0 | 0 | 112.2 | L42 S43 Q48 | L42-Q45 WeakPolarHBondContact O-CB 3.39Å; L42-Q45 PolarHBondContact O-N 2.69Å; L42-Q45 VanDerWaalsContact O-N 3.15Å; S43-Q45 PolarHBondContact O-N 2.76Å; Q45-Q48 PolarHBondContact O-N 3.35Å |
| 46 | T | 55.8 | Low | 63.2 | Low | 113 Ų | 113 | 113 Ų | 113 | 69% | 0.693 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -81.4 | -19.3 | -177.7 | 55.4 | 0 | 0 | 0 | 0 | 113.8 | S43 | S43-T46 PolarHBondContact O-N 2.78Å; S43-T46 PolarHBondContact O-OG1 2.76Å |
| 47 | N | 55.5 | Low | 62.1 | Low | 140 Ų | 140 | 111.4 Ų | 111.4 | 75% | 0.749 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 11.2 | 170.2 | -85.4 | -73.1 | 0 | 0 | 0 | 113.6 | S43 S49 | S43-N47 PolarHBondContact O-N 2.97Å; N47-S49 PolarHBondContact O-N 2.72Å |
| 48 | Q | 55.5 | Low | 60.9 | Low | 101 Ų | 101 | 112.5 Ų | 112.5 | 47% | 0.472 | 62% | 0.616 | S | S | . | * | | | trans | -72.9 | 81.4 | 159.2 | -55.5 | -153.4 | -17.9 | 0 | 0 | 107.2 | S44 Q45 N50 | S44-Q48 WeakPolarHBondContact O-CG 3.27Å; Q45-Q48 PolarHBondContact O-N 3.35Å; Q48-N50 VanDerWaalsContact C-N 3.35Å; Q48-N50 PolarHBondContact O-N 2.73Å |
| 49 | S | 55.7 | Low | 59.8 | Low | 101 Ų | 101 | 116.7 Ų | 116.7 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | | | trans | -38.9 | 115.5 | 139.8 | 177.7 | 0 | 0 | 0 | 0 | 105 | N47 S51 | N47-S49 PolarHBondContact O-N 2.72Å; S49-S51 WeakPolarHBondContact O-CB 3.06Å; S49-S51 PolarHBondContact O-N 3.03Å |
| 50 | N | 52.8 | Low | 59.1 | Low | 142 Ų | 142 | 117.1 Ų | 117.1 | 76% | 0.759 | 63% | 0.634 | S | S | * | * | | | trans | -56.5 | 62.7 | -174.4 | -77.8 | -48.4 | 0 | 0 | 0 | 111.4 | Q48 Y52 | Q48-N50 VanDerWaalsContact C-N 3.35Å; Q48-N50 PolarHBondContact O-N 2.73Å; N50-Y52 PolarHBondContact O-N 2.86Å |
| 51 | S | 56.2 | Low | 57.9 | Low | 104 Ų | 104 | 118.3 Ų | 118.3 | 73% | 0.727 | 64% | 0.641 | S | S | * | * | | | trans | -92 | 37.9 | 179.5 | -167.8 | 0 | 0 | 0 | 0 | 107.9 | S49 P53 | S49-S51 WeakPolarHBondContact O-CB 3.06Å; S49-S51 PolarHBondContact O-N 3.03Å; S51-P53 WeakPolarHBondContact O-CD 3.3Å |
| 52 | Y | 49.7 | Very low | 57 | Low | 170 Ų | 170 | 115.4 Ų | 115.4 | 67% | 0.667 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 121.4 | 150.1 | -73.3 | -80.3 | 0 | 0 | 0 | 105 | N50 P54 | N50-Y52 PolarHBondContact O-N 2.86Å; Y52-P54 VanDerWaalsContact O-N 3.15Å |
| 53 | P | 51.8 | Low | 56.3 | Low | 102 Ų | 102 | 118.9 Ų | 118.9 | 66% | 0.662 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 130.3 | 165.8 | 21.5 | -29 | 0 | 0 | 0 | 106.2 | S51 M55 | S51-P53 WeakPolarHBondContact O-CD 3.3Å; P53-M55 PolarHBondContact O-N 2.73Å; P53-M55 VanDerWaalsContact O-N 3.13Å |
| 54 | P | 55.9 | Low | 55.9 | Low | 97 Ų | 97 | 125 Ų | 125 | 63% | 0.63 | 67% | 0.668 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 131.6 | 175.4 | 23 | -32.4 | 0 | 0 | 0 | 106.3 | Y52 S56 | Y52-P54 VanDerWaalsContact O-N 3.15Å; P54-S56 WeakPolarHBondContact CB-OG 3.3Å; P54-S56 CarbonylContact O-C 3.35Å; P54-S56 PolarHBondContact O-N 3.31Å |
| 55 | M | 53.7 | Low | 55.5 | Low | 161 Ų | 161 | 125.4 Ų | 125.4 | 79% | 0.793 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -61.2 | 8.8 | 179.9 | -69.8 | 166.3 | 90 | 0 | 0 | 112.9 | P53 D57 | P53-M55 PolarHBondContact O-N 2.73Å; P53-M55 VanDerWaalsContact O-N 3.13Å; M55-D57 PolarHBondContact O-N 3.23Å; M55-D57 VanDerWaalsContact O-N 3.17Å |
| 56 | S | 57.2 | Low | 55.7 | Low | 86 Ų | 86 | 124.3 Ų | 124.3 | 60% | 0.601 | 68% | 0.682 | S | S | * | * | | | trans | -75 | 66.8 | 155 | 64.6 | 0 | 0 | 0 | 0 | 110.5 | P54 P58 | P54-S56 WeakPolarHBondContact CB-OG 3.3Å; P54-S56 CarbonylContact O-C 3.35Å; P54-S56 PolarHBondContact O-N 3.31Å; S56-P58 VanDerWaalsContact O-CD 3.28Å; S56-P58 WeakPolarHBondContact O-CD 3.41Å |
| 57 | D | 57.3 | Low | 55.6 | Low | 71 Ų | 71 | 124.2 Ų | 124.2 | 38% | 0.38 | 69% | 0.686 | S | S | . | * | | | trans | -63.5 | 121 | 167.3 | -175.6 | -10.1 | 0 | 0 | 0 | 108.8 | M55 Y59 M60 | M55-D57 PolarHBondContact O-N 3.23Å; M55-D57 VanDerWaalsContact O-N 3.17Å; D57-Y59 PolarHBondContact O-N 3.42Å; D57-Y59 VanDerWaalsContact O-N 3.09Å; D57-Y59 WeakPolarHBondContact OD1-CB 3.27Å; D57-Y59 VanDerWaalsContact OD1-CD2 3.27Å; D57-Y59 WeakPolarHBondContact OD1-CD2 3.47Å; D57-Y59 PolarHBondContact OD1-N 2.84Å; D57-M60 HydrophobicContact CB-CB 4.25Å; D57-M60 HydrophobicContact CB-CG 4.07Å; D57-M60 PolarHBondContact O-N 3.5Å |
| 58 | P | 58.3 | Low | 55.5 | Low | 122 Ų | 122 | 124.3 Ų | 124.3 | 79% | 0.792 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -18.7 | 175.6 | -24.1 | 35 | 0 | 0 | 0 | 114.3 | S56 | S56-P58 VanDerWaalsContact O-CD 3.28Å; S56-P58 WeakPolarHBondContact O-CD 3.41Å |
| 59 | Y | 57.1 | Low | 55.6 | Low | 203 Ų | 203 | 122.9 Ų | 122.9 | 80% | 0.796 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -5.7 | 175.7 | -63.3 | -77.5 | 0 | 0 | 0 | 113.8 | D57 P61 | D57-Y59 PolarHBondContact O-N 3.42Å; D57-Y59 VanDerWaalsContact O-N 3.09Å; D57-Y59 WeakPolarHBondContact OD1-CB 3.27Å; D57-Y59 VanDerWaalsContact OD1-CD2 3.27Å; D57-Y59 WeakPolarHBondContact OD1-CD2 3.47Å; D57-Y59 PolarHBondContact OD1-N 2.84Å; Y59-P61 WeakPolarHBondContact O-CD 3.23Å |
| 60 | M | 66.9 | Low | 55.7 | Low | 114 Ų | 114 | 125.8 Ų | 125.8 | 56% | 0.562 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -106.1 | 83.9 | 174.1 | -70.3 | -69.9 | 163.8 | 0 | 0 | 109.6 | D57 S62 | D57-M60 HydrophobicContact CB-CB 4.25Å; D57-M60 HydrophobicContact CB-CG 4.07Å; D57-M60 PolarHBondContact O-N 3.5Å; M60-S62 PolarHBondContact O-N 3.23Å |
| 61 | P | 53.1 | Low | 55.6 | Low | 94 Ų | 94 | 124.6 Ų | 124.6 | 61% | 0.61 | 70% | 0.698 | S | S | * | * | | | trans | -65.4 | 112.6 | 177.9 | 26.8 | -31.5 | 0 | 0 | 0 | 109.5 | Y59 Y63 | Y59-P61 WeakPolarHBondContact O-CD 3.23Å; P61-Y63 WeakPolarHBondContact O-CD2 3.42Å; P61-Y63 PolarHBondContact O-N 3.27Å |
| 62 | S | 54.8 | Low | 55.2 | Low | 110 Ų | 110 | 129 Ų | 129 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 66 | 11 | 158.7 | -50.1 | 0 | 0 | 0 | 0 | 119.9 | M60 Y64 | M60-S62 PolarHBondContact O-N 3.23Å; S62-Y64 VanDerWaalsContact C-N 3.28Å; S62-Y64 PolarHBondContact O-N 3.36Å |
| 63 | Y | 54.8 | Low | 55.4 | Low | 190 Ų | 190 | 125.9 Ų | 125.9 | 75% | 0.745 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -73.5 | -16.2 | 178.9 | -76.9 | -76.4 | 0 | 0 | 0 | 115 | P61 | P61-Y63 WeakPolarHBondContact O-CD2 3.42Å; P61-Y63 PolarHBondContact O-N 3.27Å |
| 64 | Y | 54.7 | Low | 55.4 | Low | 183 Ų | 183 | 129.1 Ų | 129.1 | 72% | 0.718 | 71% | 0.713 | S | S | * | * | S | Bend | trans | -113.2 | 71.8 | 169.4 | -62.5 | -81.1 | 0 | 0 | 0 | 108.9 | S62 P66 | S62-Y64 VanDerWaalsContact C-N 3.28Å; S62-Y64 PolarHBondContact O-N 3.36Å; Y64-P66 WeakPolarHBondContact O-CD 3.35Å |
| 65 | A | 52.8 | Low | 55.3 | Low | 83 Ų | 83 | 127.4 Ų | 127.4 | 69% | 0.686 | 71% | 0.713 | S | S | * | * | | | trans | -57.4 | 123.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | S67 | A65-S67 PolarHBondContact O-N 2.89Š|
| 66 | P | 60.2 | Low | 55.4 | Low | 124 Ų | 124 | 128.1 Ų | 128.1 | 81% | 0.805 | 72% | 0.715 | S | S | * | * | | | trans | -80.7 | 95.8 | -178.8 | 31.3 | -28.6 | 0 | 0 | 0 | 107.3 | Y64 | Y64-P66 WeakPolarHBondContact O-CD 3.35Š|
| 67 | S | 54 | Low | 55 | Low | 110 Ų | 110 | 126.6 Ų | 126.6 | 77% | 0.769 | 71% | 0.707 | S | S | * | * | | | trans | 175.1 | 111.6 | 152.2 | -81.3 | 0 | 0 | 0 | 0 | 111.6 | A65 | A65-S67 PolarHBondContact O-N 2.89Š|
| 68 | I | 52.6 | Low | 54.6 | Low | 142 Ų | 142 | 128 Ų | 128 | 73% | 0.728 | 73% | 0.729 | S | S | * | * | | | | -148.4 | 112.3 | 123 | -94.1 | 146.8 | 0 | 0 | 0 | 105 | F70 | I68-F70 HydrophobicContact CG2-CD2 4.47Å; I68-F70 HydrophobicContact CG2-CE1 4.23Å; I68-F70 HydrophobicContact CG2-CE2 3.82Å; I68-F70 HydrophobicContact CG2-CZ 3.68Å |
| 69 | G | 57.6 | Low | 54.3 | Low | 72 Ų | 72 | 133.6 Ų | 133.6 | 74% | 0.742 | 73% | 0.734 | S | S | * | * | | | trans | -66.3 | 137.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 70 | F | 57.5 | Low | 54.2 | Low | 161 Ų | 161 | 128.1 Ų | 128.1 | 71% | 0.706 | 73% | 0.725 | S | S | * | * | | | trans | -115.6 | 128.5 | 162.5 | -67.4 | -72.6 | 0 | 0 | 0 | 108.8 | I68 Y72 | I68-F70 HydrophobicContact CG2-CD2 4.47Å; I68-F70 HydrophobicContact CG2-CE1 4.23Å; I68-F70 HydrophobicContact CG2-CE2 3.82Å; I68-F70 HydrophobicContact CG2-CZ 3.68Å; F70-Y72 HydrophobicContact CB-CD2 4.31Å; F70-Y72 PolarHBondContact O-N 3.22Å |
| 71 | P | 52 | Low | 53.7 | Low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 74% | 0.737 | S | S | * | * | | | trans | -87.8 | 53.1 | -170.1 | 38.6 | -36.8 | 0 | 0 | 0 | 110.9 | | |
| 72 | Y | 47.1 | Very low | 53.9 | Low | 198 Ų | 198 | 129.4 Ų | 129.4 | 78% | 0.776 | 75% | 0.749 | S | S | * | * | | | trans | -107.7 | 106.1 | 170.1 | -60 | -67.3 | 0 | 0 | 0 | 108 | F70 L74 | F70-Y72 HydrophobicContact CB-CD2 4.31Å; F70-Y72 PolarHBondContact O-N 3.22Å; Y72-L74 PolarHBondContact O-N 3.16Å |
| 73 | S | 53.4 | Low | 53.7 | Low | 103 Ų | 103 | 127.3 Ų | 127.3 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | | | trans | -53.1 | 125.6 | 167.8 | -63.3 | 0 | 0 | 0 | 0 | 108.1 | G75 | S73-G75 PolarHBondContact O-N 3.02Š|
| 74 | L | 52.2 | Low | 53.9 | Low | 170 Ų | 170 | 124.8 Ų | 124.8 | 89% | 0.89 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | 10.9 | 179.9 | -169.3 | 59.8 | 0 | 0 | 0 | 114.3 | Y72 | Y72-L74 PolarHBondContact O-N 3.16Š|
| 75 | G | 54.9 | Low | 53 | Low | 61 Ų | 61 | 123.7 Ų | 123.7 | 63% | 0.629 | 75% | 0.745 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | -5.6 | -174.6 | 0 | 0 | 0 | 0 | 0 | 116 | S73 | S73-G75 PolarHBondContact O-N 3.02Š|
| 76 | E | 54.5 | Low | 53.3 | Low | 176 Ų | 176 | 129.1 Ų | 129.1 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | | | trans | -112.4 | 17.9 | 179.9 | -62 | 175.5 | -162.8 | 0 | 0 | 112.8 | A78 | E76-A78 PolarHBondContact O-N 3.3Š|
| 77 | A | 49.6 | Very low | 53 | Low | 54 Ų | 54 | 129.4 Ų | 129.4 | 45% | 0.446 | 77% | 0.772 | S | S | . | * | | | trans | -55.9 | 118.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | W79 S80 | A77-W79 PolarHBondContact O-N 3.41Å; A77-S80 PolarHBondContact O-N 3.49Å |
| 78 | A | 48.7 | Very low | 52.9 | Low | 100 Ų | 100 | 130.4 Ų | 130.4 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | 7.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | E76 | E76-A78 PolarHBondContact O-N 3.3Š|
| 79 | W | 51.7 | Low | 52.9 | Low | 241 Ų | 241 | 129.7 Ų | 129.7 | 91% | 0.913 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -7.3 | -178.7 | -67.4 | 46.2 | 0 | 0 | 0 | 111.9 | A77 T81 | A77-W79 PolarHBondContact O-N 3.41Å; W79-T81 PolarHBondContact O-N 3.08Å |
| 80 | S | 56.1 | Low | 52.6 | Low | 87 Ų | 87 | 133.1 Ų | 133.1 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | | | trans | -72.2 | 85.3 | 162.7 | -67.5 | 0 | 0 | 0 | 0 | 108 | A77 A82 | A77-S80 PolarHBondContact O-N 3.49Å; S80-A82 PolarHBondContact O-N 2.97Å |
| 81 | T | 55 | Low | 52.3 | Low | 132 Ų | 132 | 131.4 Ų | 131.4 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | | | trans | -65.6 | 74.8 | 166.9 | -165 | 0 | 0 | 0 | 0 | 108.7 | W79 G83 | W79-T81 PolarHBondContact O-N 3.08Å; T81-G83 PolarHBondContact O-N 2.72Å; T81-G83 VanDerWaalsContact O-N 3.08Å |
| 82 | A | 57.2 | Low | 52.4 | Low | 103 Ų | 103 | 132.3 Ų | 132.3 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | | | trans | -72.1 | 93.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | S80 | S80-A82 PolarHBondContact O-N 2.97Š|
| 83 | G | 51 | Low | 52.7 | Low | 66 Ų | 66 | 127.6 Ų | 127.6 | 68% | 0.68 | 78% | 0.783 | S | S | * | * | | | trans | 168.6 | 69.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112 | T81 | T81-G83 PolarHBondContact O-N 2.72Å; T81-G83 VanDerWaalsContact O-N 3.08Å |
| 84 | D | 59.8 | Low | 52.7 | Low | 137 Ų | 137 | 129.5 Ų | 129.5 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | | | trans | -71.2 | 132.2 | 161.6 | 179 | 36.2 | 0 | 0 | 0 | 110.6 | | |
| 85 | Q | 35.6 | Very low | 52.7 | Low | 160 Ų | 160 | 126.2 Ų | 126.2 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | | | trans | 56.8 | 152.9 | 159.9 | -81.3 | 175.2 | -12.7 | 0 | 0 | 120.5 | | |
| 86 | P | 58.7 | Low | 52.5 | Low | 197 Ų | 197 | 132.1 Ų | 132.1 | 100% | 1.279 | 79% | 0.792 | S | S | * | * | | | cis | -106.8 | 0 | 23.7 | 40.1 | -36 | 0 | 0 | 0 | 117.9 | | |