| 1 | M | 63 | Low | 58 | Low | 207 Ų | 207 | 150.2 Ų | 150.2 | 100% | 1.02 | 70% | 0.704 | S | S | * | * | | | | 0 | 10.6 | 0 | -159.4 | 162.6 | 167.2 | 0 | 0 | 113.5 | | |
| 2 | F | 60.4 | Low | 57.4 | Low | 188 Ų | 188 | 143.9 Ų | 143.9 | 83% | 0.825 | 70% | 0.697 | S | S | * | * | | | trans | -101 | -22.3 | 176 | -77.4 | -83.1 | 0 | 0 | 0 | 113.9 | | |
| 3 | Y | 56.4 | Low | 57.1 | Low | 201 Ų | 201 | 147.2 Ų | 147.2 | 79% | 0.788 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -75.4 | -24.4 | 177.9 | -89.7 | -86.1 | 0 | 0 | 0 | 114 | T7 | Y3-T7 PolarHBondContact O-N 2.87Å; Y3-T7 PolarHBondContact O-OG1 2.89Å |
| 4 | L | 57.8 | Low | 56.9 | Low | 133 Ų | 133 | 149.6 Ų | 149.6 | 70% | 0.696 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -72.9 | -33.9 | 179.9 | -66 | 169.7 | 0 | 0 | 0 | 111.5 | L8 | L4-L8 WeakPolarHBondContact O-CB 3.39Å; L4-L8 PolarHBondContact O-N 3.38Å |
| 5 | D | 59 | Low | 55.8 | Low | 111 Ų | 111 | 148.4 Ų | 148.4 | 59% | 0.594 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -69.3 | -43.7 | 177.6 | -111.1 | -42 | 0 | 0 | 0 | 112 | T7 L8 F9 | D5-T7 VanDerWaalsContact C-N 3.3Å; D5-T7 PolarHBondContact O-N 3.23Å; D5-L8 PolarHBondContact O-N 2.79Å; D5-F9 VanDerWaalsContact O-CB 3.32Å; D5-F9 WeakPolarHBondContact O-CB 3.46Å; D5-F9 PolarHBondContact O-N 2.67Å |
| 6 | L | 59.2 | Low | 55.2 | Low | 113 Ų | 113 | 142.9 Ų | 142.9 | 59% | 0.592 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -67.1 | -33.3 | 179.3 | -157.9 | 68.8 | 0 | 0 | 0 | 112.2 | H10 | L6-H10 PolarHBondContact O-N 3.22Å |
| 7 | T | 59.6 | Low | 54.7 | Low | 80 Ų | 80 | 145.6 Ų | 145.6 | 49% | 0.491 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -73.3 | -30.7 | 175.1 | -49.7 | 0 | 0 | 0 | 0 | 112 | Y3 D5 | Y3-T7 PolarHBondContact O-N 2.87Å; Y3-T7 PolarHBondContact O-OG1 2.89Å; D5-T7 VanDerWaalsContact C-N 3.3Å; D5-T7 PolarHBondContact O-N 3.23Å |
| 8 | L | 59 | Low | 54.6 | Low | 111 Ų | 111 | 147.6 Ų | 147.6 | 58% | 0.581 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -77.8 | -36.3 | 175.3 | -152.4 | 73.8 | 0 | 0 | 0 | 111.2 | L4 D5 R11 | L4-L8 WeakPolarHBondContact O-CB 3.39Å; L4-L8 PolarHBondContact O-N 3.38Å; D5-L8 PolarHBondContact O-N 2.79Å; L8-R11 PolarHBondContact O-N 3.45Å |
| 9 | F | 52.6 | Low | 54.3 | Low | 161 Ų | 161 | 144.8 Ų | 144.8 | 71% | 0.706 | 73% | 0.732 | S | S | * | * | H | α-helix | trans | -70.6 | -36 | 178.3 | -152.6 | -90.2 | 0 | 0 | 0 | 112.5 | D5 R11 A12 | D5-F9 VanDerWaalsContact O-CB 3.32Å; D5-F9 WeakPolarHBondContact O-CB 3.46Å; D5-F9 PolarHBondContact O-N 2.67Å; F9-R11 PolarHBondContact O-N 2.72Å; F9-A12 PolarHBondContact O-N 3.29Å |
| 10 | H | 58 | Low | 54.6 | Low | 161 Ų | 161 | 146.2 Ų | 146.2 | 75% | 0.745 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -9.6 | 170.7 | -88.6 | 17.6 | 0 | 0 | 0 | 114.4 | L6 | L6-H10 PolarHBondContact O-N 3.22Š|
| 11 | R | 52.6 | Low | 54.6 | Low | 186 Ų | 186 | 143.8 Ų | 143.8 | 70% | 0.702 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.8 | 1.4 | 178.3 | -177.4 | 152.3 | 47.2 | 176.4 | -4.7 | 113.4 | L8 F9 | L8-R11 PolarHBondContact O-N 3.45Å; F9-R11 PolarHBondContact O-N 2.72Å |
| 12 | A | 51.5 | Low | 54.6 | Low | 75 Ų | 75 | 139 Ų | 139 | 62% | 0.62 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -104.5 | 7.7 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | F9 | F9-A12 PolarHBondContact O-N 3.29Š|
| 13 | E | 53.8 | Low | 54.6 | Low | 186 Ų | 186 | 139 Ų | 139 | 87% | 0.869 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -118.7 | 42.4 | 173.9 | -78.2 | -159.8 | 155.5 | 0 | 0 | 112.6 | | |
| 14 | E | 53.9 | Low | 54.9 | Low | 181 Ų | 181 | 136.5 Ų | 136.5 | 85% | 0.846 | 72% | 0.715 | S | S | * | * | | | trans | -138.8 | 55.5 | 163.2 | -143.8 | 177 | -166.4 | 0 | 0 | 108.9 | G16 | E14-G16 PolarHBondContact O-N 2.97Š|
| 15 | T | 40.2 | Very low | 54.7 | Low | 132 Ų | 132 | 132.1 Ų | 132.1 | 81% | 0.81 | 70% | 0.702 | S | S | * | * | | | trans | -65.4 | 92.2 | 151.4 | 42.8 | 0 | 0 | 0 | 0 | 105.7 | E17 | T15-E17 PolarHBondContact O-N 2.93Š|
| 16 | G | 45.4 | Very low | 54.6 | Low | 61 Ų | 61 | 130.6 Ų | 130.6 | 63% | 0.629 | 70% | 0.7 | S | S | * | * | | | trans | -45.1 | 117.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | E14 E18 | E14-G16 PolarHBondContact O-N 2.97Å; G16-E18 PolarHBondContact O-N 2.72Å |
| 17 | E | 47.5 | Very low | 54.6 | Low | 188 Ų | 188 | 132.4 Ų | 132.4 | 88% | 0.879 | 71% | 0.709 | S | S | * | * | | | trans | -56.7 | 97.8 | 153 | -65 | -175.9 | 164.6 | 0 | 0 | 104.6 | T15 S19 | T15-E17 PolarHBondContact O-N 2.93Å; E17-S19 PolarHBondContact O-N 2.84Å |
| 18 | E | 52.1 | Low | 54.5 | Low | 181 Ų | 181 | 135.2 Ų | 135.2 | 85% | 0.846 | 72% | 0.716 | S | S | * | * | | | trans | -62.3 | 89.9 | 162.3 | -163.9 | -178.8 | -148.8 | 0 | 0 | 104 | G16 F20 | G16-E18 PolarHBondContact O-N 2.72Å; E18-F20 PolarHBondContact O-N 3.32Å |
| 19 | S | 49.8 | Very low | 54.4 | Low | 96 Ų | 96 | 138.7 Ų | 138.7 | 67% | 0.671 | 73% | 0.729 | S | S | * | * | | | trans | -59.9 | 97.6 | 165.8 | 65.4 | 0 | 0 | 0 | 0 | 103.8 | E17 S21 | E17-S19 PolarHBondContact O-N 2.84Å; S19-S21 PolarHBondContact O-N 3.24Å |
| 20 | F | 59.3 | Low | 54.8 | Low | 171 Ų | 171 | 140.3 Ų | 140.3 | 75% | 0.75 | 74% | 0.736 | S | S | * | * | | | trans | -66.3 | 81.4 | 158.5 | -162.6 | -92 | 0 | 0 | 0 | 104.4 | E18 V22 | E18-F20 PolarHBondContact O-N 3.32Å; F20-V22 HydrophobicContact CD1-CG1 3.7Å; F20-V22 HydrophobicContact CE1-CG1 3.7Å; F20-V22 PolarHBondContact O-N 3.12Å |
| 21 | S | 55.7 | Low | 54.8 | Low | 96 Ų | 96 | 139.6 Ų | 139.6 | 67% | 0.671 | 74% | 0.738 | S | S | * | * | | | trans | -62.8 | 94.2 | 162.7 | 59.2 | 0 | 0 | 0 | 0 | 103.4 | S19 Q23 | S19-S21 PolarHBondContact O-N 3.24Å; S21-Q23 VanDerWaalsContact C-N 3.32Å; S21-Q23 PolarHBondContact O-N 3Å |
| 22 | V | 62 | Low | 55.3 | Low | 107 Ų | 107 | 134.4 Ų | 134.4 | 65% | 0.648 | 74% | 0.735 | S | S | * | * | | | trans | -49.8 | 111.8 | 158.5 | -81.7 | 0 | 0 | 0 | 0 | 104.3 | F20 N24 | F20-V22 HydrophobicContact CD1-CG1 3.7Å; F20-V22 HydrophobicContact CE1-CG1 3.7Å; F20-V22 PolarHBondContact O-N 3.12Å; V22-N24 PolarHBondContact O-N 3.26Å |
| 23 | Q | 61.3 | Low | 56.1 | Low | 187 Ų | 187 | 135.4 Ų | 135.4 | 87% | 0.874 | 73% | 0.733 | S | S | * | * | | | trans | -61.8 | 94.8 | 171.1 | -165.1 | 173 | 17.9 | 0 | 0 | 104.3 | S21 G25 | S21-Q23 VanDerWaalsContact C-N 3.32Å; S21-Q23 PolarHBondContact O-N 3Å; Q23-G25 PolarHBondContact O-N 2.81Å |
| 24 | N | 63.3 | Low | 57.1 | Low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | | | trans | -73.8 | 69.7 | 163.7 | -169.6 | -8.1 | 0 | 0 | 0 | 105.2 | V22 S26 | V22-N24 PolarHBondContact O-N 3.26Å; N24-S26 PolarHBondContact O-N 3.35Å |
| 25 | G | 52.8 | Low | 58 | Low | 41 Ų | 41 | 128 Ų | 128 | 42% | 0.423 | 71% | 0.705 | S | S | . | * | | | trans | -57.6 | 103.5 | 157.4 | 0 | 0 | 0 | 0 | 0 | 103.9 | Q23 I27 | Q23-G25 PolarHBondContact O-N 2.81Å; G25-I27 PolarHBondContact O-N 3.24Å |
| 26 | S | 56.8 | Low | 59.8 | Low | 79 Ų | 79 | 127 Ų | 127 | 55% | 0.552 | 70% | 0.695 | S | S | * | * | | | trans | -49.9 | 96.6 | 141.1 | 178.6 | 0 | 0 | 0 | 0 | 103.7 | N24 H28 | N24-S26 PolarHBondContact O-N 3.35Å; S26-H28 PolarHBondContact O-N 3.07Å |
| 27 | I | 58.8 | Low | 61.5 | Low | 151 Ų | 151 | 128.6 Ų | 128.6 | 77% | 0.774 | 69% | 0.689 | S | S | * | * | | | trans | -58 | 92.1 | 162.3 | 42.1 | 158.2 | 0 | 0 | 0 | 102.4 | G25 Q29 | G25-I27 PolarHBondContact O-N 3.24Å; I27-Q29 PolarHBondContact O-N 3.12Å |
| 28 | H | 58.9 | Low | 62.8 | Low | 140 Ų | 140 | 124.7 Ų | 124.7 | 65% | 0.648 | 67% | 0.669 | S | S | * | * | | | trans | -49.1 | 133.1 | 178.8 | -69.8 | -52.8 | 0 | 0 | 0 | 105 | S26 K30 | S26-H28 PolarHBondContact O-N 3.07Å; H28-K30 PolarHBondContact O-N 3.21Å |
| 29 | Q | 57.1 | Low | 63.9 | Low | 183 Ų | 183 | 121.1 Ų | 121.1 | 86% | 0.855 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 23.8 | -179.4 | -68 | 170 | -24.1 | 0 | 0 | 113.5 | I27 A32 | I27-Q29 PolarHBondContact O-N 3.12Å; Q29-A32 VanDerWaalsContact O-CB 3.28Å; Q29-A32 WeakPolarHBondContact O-CB 3.41Å; Q29-A32 PolarHBondContact O-N 2.77Å |
| 30 | K | 60.6 | Low | 65 | Low | 195 Ų | 195 | 119.8 Ų | 119.8 | 85% | 0.848 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 6.9 | 179.5 | -82.5 | -170.3 | 174.4 | -177 | 0 | 114.3 | H28 | H28-K30 PolarHBondContact O-N 3.21Š|
| 31 | D | 56.7 | Low | 65.3 | Low | 147 Ų | 147 | 120 Ų | 120 | 79% | 0.786 | 64% | 0.639 | S | S | * | * | | | trans | -98.9 | 32.1 | 149.6 | -57.1 | -45.6 | 0 | 0 | 0 | 109.7 | V33 | D31-V33 PolarHBondContact O-N 2.8Š|
| 32 | A | 64.4 | Low | 65.7 | Low | 77 Ų | 77 | 121 Ų | 121 | 64% | 0.636 | 64% | 0.636 | S | S | * | * | | | trans | -61.6 | 93.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 106.7 | Q29 N34 | Q29-A32 VanDerWaalsContact O-CB 3.28Å; Q29-A32 WeakPolarHBondContact O-CB 3.41Å; Q29-A32 PolarHBondContact O-N 2.77Å; A32-N34 PolarHBondContact O-N 3.04Å |
| 33 | V | 66.9 | Low | 65.7 | Low | 96 Ų | 96 | 118.8 Ų | 118.8 | 58% | 0.582 | 63% | 0.625 | S | S | * | * | | | trans | -46.6 | 129.5 | 166.2 | -70.5 | 0 | 0 | 0 | 0 | 107.5 | D31 F38 | D31-V33 PolarHBondContact O-N 2.8Å; V33-F38 HydrophobicContact CB-CE2 3.93Å; V33-F38 HydrophobicContact CB-CZ 4.22Å; V33-F38 HydrophobicContact CG2-CE2 3.67Å; V33-F38 HydrophobicContact CG2-CZ 3.91Å |
| 34 | N | 76.6 | Confident | 65.5 | Low | 83 Ų | 83 | 114 Ų | 114 | 44% | 0.444 | 61% | 0.613 | S | S | . | * | | | trans | -75.5 | 140 | -175.4 | -173.8 | 34.3 | 0 | 0 | 0 | 108.1 | A32 D36 D37 | A32-N34 PolarHBondContact O-N 3.04Å; N34-D36 VanDerWaalsContact ND2-CB 3.34Å; N34-D36 WeakPolarHBondContact ND2-CB 3.27Å; N34-D36 PolarHBondContact ND2-OD2 3.37Å; N34-D36 PolarHBondContact O-N 3.08Å; N34-D36 VanDerWaalsContact O-N 3.13Å; N34-D37 PolarHBondContact N-OD2 2.96Å; N34-D37 VanDerWaalsContact N-OD2 3.14Å; N34-D37 VanDerWaalsContact O-CB 3.25Å; N34-D37 WeakPolarHBondContact O-CB 3.34Å; N34-D37 PolarHBondContact O-N 3.33Å |
| 35 | D | 71.6 | Confident | 65.1 | Low | 129 Ų | 129 | 113.2 Ų | 113.2 | 69% | 0.69 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -59.9 | -28.2 | -179.4 | -69.3 | -43.9 | 0 | 0 | 0 | 111.4 | D37 F38 | D35-D37 PolarHBondContact O-N 2.8Å; D35-F38 PolarHBondContact O-N 2.79Å |
| 36 | D | 77.4 | Confident | 65.1 | Low | 109 Ų | 109 | 116.9 Ų | 116.9 | 58% | 0.583 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -61.9 | -22.2 | 174.3 | -57.9 | -53.3 | 0 | 0 | 0 | 113.5 | N34 F38 | N34-D36 VanDerWaalsContact ND2-CB 3.34Å; N34-D36 WeakPolarHBondContact ND2-CB 3.27Å; N34-D36 PolarHBondContact ND2-OD2 3.37Å; N34-D36 PolarHBondContact O-N 3.08Å; N34-D36 VanDerWaalsContact O-N 3.13Å; D36-F38 PolarHBondContact O-N 3.15Å |
| 37 | D | 80.8 | Confident | 65 | Low | 95 Ų | 95 | 119.9 Ų | 119.9 | 51% | 0.508 | 63% | 0.628 | S | S | . | * | G | 310 helix | trans | -69.2 | -18.4 | 176.5 | -62 | -35.4 | 0 | 0 | 0 | 111.7 | N34 D35 | N34-D37 PolarHBondContact N-OD2 2.96Å; N34-D37 VanDerWaalsContact N-OD2 3.14Å; N34-D37 VanDerWaalsContact O-CB 3.25Å; N34-D37 WeakPolarHBondContact O-CB 3.34Å; N34-D37 PolarHBondContact O-N 3.33Å; D35-D37 PolarHBondContact O-N 2.8Å |
| 38 | F | 75.3 | Confident | 64.8 | Low | 106 Ų | 106 | 117.3 Ų | 117.3 | 47% | 0.465 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -101.9 | -15.7 | -178.6 | -59.6 | -81.5 | 0 | 0 | 0 | 114 | V33 D35 D36 P40 Y41 L42 | V33-F38 HydrophobicContact CB-CE2 3.93Å; V33-F38 HydrophobicContact CB-CZ 4.22Å; V33-F38 HydrophobicContact CG2-CE2 3.67Å; V33-F38 HydrophobicContact CG2-CZ 3.91Å; D35-F38 PolarHBondContact O-N 2.79Å; D36-F38 PolarHBondContact O-N 3.15Å; F38-P40 VanDerWaalsContact C-CD 3.45Å; F38-Y41 PolarHBondContact O-N 2.83Å; F38-Y41 VanDerWaalsContact O-N 3.12Å; F38-L42 PolarHBondContact O-N 3.05Å |
| 39 | E | 74.9 | Confident | 64.5 | Low | 106 Ų | 106 | 115.5 Ų | 115.5 | 50% | 0.495 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -53.7 | -40.7 | 177 | -74.5 | -69 | 143.3 | 0 | 0 | 115.8 | Y41 L42 S43 | E39-Y41 PolarHBondContact O-N 3.41Å; E39-L42 PolarHBondContact O-N 2.82Å; E39-S43 WeakPolarHBondContact O-CB 3.49Å; E39-S43 PolarHBondContact O-N 3.02Å; E39-S43 PolarHBondContact O-OG 3.31Å |
| 40 | P | 73.9 | Confident | 64.3 | Low | 69 Ų | 69 | 112.9 Ų | 112.9 | 45% | 0.448 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -66 | -24.4 | 178.5 | 24.4 | -33.2 | 0 | 0 | 0 | 113 | F38 S43 S44 | F38-P40 VanDerWaalsContact C-CD 3.45Å; P40-S43 WeakPolarHBondContact CA-OG 3.36Å; P40-S43 PolarHBondContact O-OG 3.04Å; P40-S44 PolarHBondContact O-OG 3.19Å |
| 41 | Y | 65.6 | Low | 64.1 | Low | 175 Ų | 175 | 108 Ų | 108 | 69% | 0.686 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -83.4 | -32.5 | 177.5 | -55.9 | -75.6 | 0 | 0 | 0 | 111.9 | F38 E39 | F38-Y41 PolarHBondContact O-N 2.83Å; F38-Y41 VanDerWaalsContact O-N 3.12Å; E39-Y41 PolarHBondContact O-N 3.41Å |
| 42 | L | 64.9 | Low | 63.8 | Low | 116 Ų | 116 | 109 Ų | 109 | 61% | 0.607 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -72.6 | -44.3 | 175.7 | -124.5 | 76.7 | 0 | 0 | 0 | 112.5 | F38 E39 S44 Q45 | F38-L42 PolarHBondContact O-N 3.05Å; E39-L42 PolarHBondContact O-N 2.82Å; L42-S44 VanDerWaalsContact C-N 3.27Å; L42-S44 PolarHBondContact O-N 2.91Å; L42-Q45 WeakPolarHBondContact O-CB 3.15Å; L42-Q45 PolarHBondContact O-N 3.13Å; L42-Q45 VanDerWaalsContact O-N 3.07Å |
| 43 | S | 60.4 | Low | 63.3 | Low | 61 Ų | 61 | 110.3 Ų | 110.3 | 43% | 0.427 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65 | -31.2 | -178.8 | 52.5 | 0 | 0 | 0 | 0 | 112.7 | E39 P40 Q45 T46 | E39-S43 WeakPolarHBondContact O-CB 3.49Å; E39-S43 PolarHBondContact O-N 3.02Å; E39-S43 PolarHBondContact O-OG 3.31Å; P40-S43 WeakPolarHBondContact CA-OG 3.36Å; P40-S43 PolarHBondContact O-OG 3.04Å; S43-Q45 PolarHBondContact O-N 3.21Å; S43-T46 PolarHBondContact O-N 2.94Å; S43-T46 PolarHBondContact O-OG1 3.25Å |
| 44 | S | 57.9 | Low | 62.9 | Low | 88 Ų | 88 | 110.6 Ų | 110.6 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | G | 310 helix | trans | -61.2 | -23.4 | 173.5 | -64.6 | 0 | 0 | 0 | 0 | 113.3 | P40 L42 | P40-S44 PolarHBondContact O-OG 3.19Å; L42-S44 VanDerWaalsContact C-N 3.27Å; L42-S44 PolarHBondContact O-N 2.91Å |
| 45 | Q | 54.9 | Low | 61.9 | Low | 131 Ų | 131 | 114.5 Ų | 114.5 | 61% | 0.612 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -79.7 | -20.2 | -179.3 | -164.2 | 153.5 | -39 | 0 | 0 | 113.2 | L42 S43 N47 Q48 | L42-Q45 WeakPolarHBondContact O-CB 3.15Å; L42-Q45 PolarHBondContact O-N 3.13Å; L42-Q45 VanDerWaalsContact O-N 3.07Å; S43-Q45 PolarHBondContact O-N 3.21Å; Q45-N47 VanDerWaalsContact C-N 3.32Å; Q45-N47 PolarHBondContact O-N 3.16Å; Q45-Q48 WeakPolarHBondContact O-CG 3.48Å; Q45-Q48 PolarHBondContact O-N 3.46Å |
| 46 | T | 53.4 | Low | 61.2 | Low | 118 Ų | 118 | 111.7 Ų | 111.7 | 72% | 0.724 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -81.4 | -9 | -177.8 | 58.6 | 0 | 0 | 0 | 0 | 114.3 | S43 | S43-T46 PolarHBondContact O-N 2.94Å; S43-T46 PolarHBondContact O-OG1 3.25Å |
| 47 | N | 54.4 | Low | 60.3 | Low | 142 Ų | 142 | 110.5 Ų | 110.5 | 76% | 0.759 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -103.3 | 34.3 | 168.4 | -78.5 | -77.9 | 0 | 0 | 0 | 112.1 | Q45 S49 | Q45-N47 VanDerWaalsContact C-N 3.32Å; Q45-N47 PolarHBondContact O-N 3.16Å; N47-S49 PolarHBondContact O-N 3Å |
| 48 | Q | 54.3 | Low | 59.3 | Low | 97 Ų | 97 | 111.1 Ų | 111.1 | 45% | 0.453 | 61% | 0.609 | S | S | . | * | | | trans | -69.4 | 76.2 | 158.9 | -72 | -173.5 | -4.3 | 0 | 0 | 108.6 | Q45 N50 | Q45-Q48 WeakPolarHBondContact O-CG 3.48Å; Q45-Q48 PolarHBondContact O-N 3.46Å; Q48-N50 PolarHBondContact O-N 3.04Å |
| 49 | S | 53.2 | Low | 58.3 | Low | 102 Ų | 102 | 115.6 Ų | 115.6 | 71% | 0.713 | 62% | 0.624 | S | S | * | * | | | trans | -49.2 | 104.2 | 142.3 | 179.2 | 0 | 0 | 0 | 0 | 105.1 | N47 S51 | N47-S49 PolarHBondContact O-N 3Å; S49-S51 PolarHBondContact O-N 3.01Å |
| 50 | N | 51.2 | Low | 58 | Low | 128 Ų | 128 | 114.8 Ų | 114.8 | 68% | 0.684 | 62% | 0.621 | S | S | * | * | | | trans | -66.2 | 39.5 | 177.6 | -76.4 | -43.8 | 0 | 0 | 0 | 111.5 | Q48 Y52 | Q48-N50 PolarHBondContact O-N 3.04Å; N50-Y52 PolarHBondContact O-N 3.01Å |
| 51 | S | 57.4 | Low | 57.2 | Low | 93 Ų | 93 | 116.7 Ų | 116.7 | 65% | 0.65 | 63% | 0.634 | S | S | * | * | | | trans | -94 | 63.5 | 171.5 | -160.1 | 0 | 0 | 0 | 0 | 107.6 | S49 P53 | S49-S51 PolarHBondContact O-N 3.01Å; S51-P53 WeakPolarHBondContact O-CD 3.22Å |
| 52 | Y | 49.4 | Very low | 56.8 | Low | 169 Ų | 169 | 113.8 Ų | 113.8 | 66% | 0.663 | 64% | 0.639 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 124.1 | 160.2 | -73 | -85 | 0 | 0 | 0 | 106.6 | N50 | N50-Y52 PolarHBondContact O-N 3.01Š|
| 53 | P | 55.6 | Low | 56.3 | Low | 103 Ų | 103 | 117 Ų | 117 | 67% | 0.669 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 133.2 | 164.7 | 22.8 | -29.1 | 0 | 0 | 0 | 106.7 | S51 M55 | S51-P53 WeakPolarHBondContact O-CD 3.22Å; P53-M55 PolarHBondContact O-N 3Å; P53-M55 VanDerWaalsContact O-N 3.12Å |
| 54 | P | 58 | Low | 56 | Low | 102 Ų | 102 | 121 Ų | 121 | 66% | 0.662 | 65% | 0.651 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 128 | 177.3 | 21.5 | -31.3 | 0 | 0 | 0 | 107.6 | S56 | P54-S56 PolarHBondContact O-N 3.4Š|
| 55 | M | 55 | Low | 55.7 | Low | 165 Ų | 165 | 120.3 Ų | 120.3 | 81% | 0.813 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -64.6 | 15.9 | 178.1 | -68.8 | 170.8 | 76.3 | 0 | 0 | 112.9 | P53 D57 Y64 | P53-M55 PolarHBondContact O-N 3Å; P53-M55 VanDerWaalsContact O-N 3.12Å; M55-D57 PolarHBondContact O-N 2.92Å; M55-Y64 PolarHBondContact O-OH 2.76Å |
| 56 | S | 58.3 | Low | 55.5 | Low | 71 Ų | 71 | 119.8 Ų | 119.8 | 50% | 0.497 | 66% | 0.659 | S | S | . | * | | | trans | -73.6 | 83.1 | 160.1 | 59.2 | 0 | 0 | 0 | 0 | 107.7 | P54 P58 | P54-S56 PolarHBondContact O-N 3.4Å; S56-P58 WeakPolarHBondContact O-CD 3.45Å; S56-P58 VanDerWaalsContact O-N 3.09Å |
| 57 | D | 58.2 | Low | 55.7 | Low | 83 Ų | 83 | 120.1 Ų | 120.1 | 44% | 0.444 | 67% | 0.666 | S | S | . | * | | | trans | -53.7 | 114.9 | 167.5 | -173.1 | -9.7 | 0 | 0 | 0 | 108.4 | M55 Y59 M60 | M55-D57 PolarHBondContact O-N 2.92Å; D57-Y59 PolarHBondContact O-N 2.69Å; D57-Y59 WeakPolarHBondContact OD1-CD2 3.29Å; D57-Y59 PolarHBondContact OD1-N 3.45Å; D57-Y59 VanDerWaalsContact OD1-N 3.16Å; D57-M60 PolarHBondContact O-N 2.85Å |
| 58 | P | 59.7 | Low | 55.7 | Low | 108 Ų | 108 | 119 Ų | 119 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -16.1 | -178.8 | -24.9 | 35.9 | 0 | 0 | 0 | 113.7 | S56 | S56-P58 WeakPolarHBondContact O-CD 3.45Å; S56-P58 VanDerWaalsContact O-N 3.09Å |
| 59 | Y | 54.8 | Low | 55.7 | Low | 201 Ų | 201 | 117.8 Ų | 117.8 | 79% | 0.788 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -7.2 | 178.4 | -66.1 | -80.3 | 0 | 0 | 0 | 114.3 | D57 P61 | D57-Y59 PolarHBondContact O-N 2.69Å; D57-Y59 WeakPolarHBondContact OD1-CD2 3.29Å; D57-Y59 PolarHBondContact OD1-N 3.45Å; D57-Y59 VanDerWaalsContact OD1-N 3.16Å; Y59-P61 WeakPolarHBondContact O-CD 3.19Å |
| 60 | M | 66.6 | Low | 55.7 | Low | 88 Ų | 88 | 120.7 Ų | 120.7 | 43% | 0.433 | 67% | 0.672 | S | S | . | * | | | trans | -122.3 | 60.4 | 176.7 | -66.3 | -62.2 | -173 | 0 | 0 | 113 | D57 S62 Y63 | D57-M60 PolarHBondContact O-N 2.85Å; M60-S62 PolarHBondContact O-N 3.32Å; M60-Y63 HydrophobicContact CB-CD2 4.14Å; M60-Y63 HydrophobicContact CE-CE2 4.48Å; M60-Y63 HydrophobicContact CG-CD2 4.21Å; M60-Y63 PolarHBondContact O-N 3.34Å; M60-Y63 HydrophobicContact SD-CD2 3.51Å; M60-Y63 VanDerWaalsContact SD-CD2 3.51Å; M60-Y63 HydrophobicContact SD-CE2 3.69Å |
| 61 | P | 59.1 | Low | 55.9 | Low | 109 Ų | 109 | 120 Ų | 120 | 71% | 0.708 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | -19.9 | -178.5 | -18.7 | 30.3 | 0 | 0 | 0 | 114.2 | Y59 | Y59-P61 WeakPolarHBondContact O-CD 3.19Š|
| 62 | S | 56 | Low | 55.6 | Low | 114 Ų | 114 | 123.9 Ų | 123.9 | 80% | 0.797 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | -4.5 | -171.9 | -57.4 | 0 | 0 | 0 | 0 | 115.3 | M60 | M60-S62 PolarHBondContact O-N 3.32Š|
| 63 | Y | 54.8 | Low | 55.7 | Low | 184 Ų | 184 | 120.1 Ų | 120.1 | 72% | 0.722 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | -21.2 | -179.6 | -86.9 | -85.4 | 0 | 0 | 0 | 114 | M60 | M60-Y63 HydrophobicContact CB-CD2 4.14Å; M60-Y63 HydrophobicContact CE-CE2 4.48Å; M60-Y63 HydrophobicContact CG-CD2 4.21Å; M60-Y63 PolarHBondContact O-N 3.34Å; M60-Y63 HydrophobicContact SD-CD2 3.51Å; M60-Y63 VanDerWaalsContact SD-CD2 3.51Å; M60-Y63 HydrophobicContact SD-CE2 3.69Å |
| 64 | Y | 54.2 | Low | 55.6 | Low | 146 Ų | 146 | 122.6 Ų | 122.6 | 57% | 0.573 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -99.2 | 99.7 | 170.3 | -62.3 | -81 | 0 | 0 | 0 | 108 | M55 | M55-Y64 PolarHBondContact O-OH 2.76Š|
| 65 | A | 50.3 | Low | 55.4 | Low | 73 Ų | 73 | 119.7 Ų | 119.7 | 60% | 0.603 | 67% | 0.67 | S | S | * | * | | | trans | -56.1 | 142.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | S67 | A65-S67 PolarHBondContact O-N 2.79Š|
| 66 | P | 52.6 | Low | 55.4 | Low | 120 Ų | 120 | 118.9 Ų | 118.9 | 78% | 0.779 | 66% | 0.664 | S | S | * | * | | | trans | -50.9 | 130.7 | 173.6 | -18.7 | 28.7 | 0 | 0 | 0 | 108.1 | I68 | P66-I68 PolarHBondContact O-N 3.14Š|
| 67 | S | 55.8 | Low | 55.1 | Low | 125 Ų | 125 | 117.6 Ų | 117.6 | 87% | 0.874 | 66% | 0.658 | S | S | * | * | | | trans | -43.5 | 102.4 | -173.7 | -53.4 | 0 | 0 | 0 | 0 | 111 | A65 G69 | A65-S67 PolarHBondContact O-N 2.79Å; S67-G69 PolarHBondContact O-N 3.3Å |
| 68 | I | 55.3 | Low | 54.7 | Low | 117 Ų | 117 | 118.8 Ų | 118.8 | 60% | 0.6 | 68% | 0.679 | S | S | * | * | | | trans | -66.1 | 108.4 | 167 | -85.7 | 165.1 | 0 | 0 | 0 | 104.7 | P66 F70 | P66-I68 PolarHBondContact O-N 3.14Å; I68-F70 HydrophobicContact CB-CZ 4.36Å; I68-F70 HydrophobicContact CG2-CD1 4.01Å; I68-F70 HydrophobicContact CG2-CD2 4.41Å; I68-F70 HydrophobicContact CG2-CE1 3.68Å; I68-F70 HydrophobicContact CG2-CE2 4.12Å; I68-F70 HydrophobicContact CG2-CG 4.36Å; I68-F70 HydrophobicContact CG2-CZ 3.74Å; I68-F70 WeakPolarHBondContact O-CD2 3.46Å; I68-F70 WeakPolarHBondContact O-CE2 3.25Å; I68-F70 PolarHBondContact O-N 2.81Å |
| 69 | G | 54.7 | Low | 54.4 | Low | 72 Ų | 72 | 125.2 Ų | 125.2 | 74% | 0.742 | 69% | 0.69 | S | S | * | * | | | trans | -62.6 | 101.1 | 172 | 0 | 0 | 0 | 0 | 0 | 108 | S67 | S67-G69 PolarHBondContact O-N 3.3Š|
| 70 | F | 53.8 | Low | 54.5 | Low | 163 Ų | 163 | 118 Ų | 118 | 72% | 0.715 | 67% | 0.669 | S | S | * | * | | | trans | -72.5 | 134.9 | 172.5 | -64.8 | -76.8 | 0 | 0 | 0 | 108.5 | I68 Y72 | I68-F70 HydrophobicContact CB-CZ 4.36Å; I68-F70 HydrophobicContact CG2-CD1 4.01Å; I68-F70 HydrophobicContact CG2-CD2 4.41Å; I68-F70 HydrophobicContact CG2-CE1 3.68Å; I68-F70 HydrophobicContact CG2-CE2 4.12Å; I68-F70 HydrophobicContact CG2-CG 4.36Å; I68-F70 HydrophobicContact CG2-CZ 3.74Å; I68-F70 WeakPolarHBondContact O-CD2 3.46Å; I68-F70 WeakPolarHBondContact O-CE2 3.25Å; I68-F70 PolarHBondContact O-N 2.81Å; F70-Y72 PolarHBondContact O-N 2.87Å |
| 71 | P | 55 | Low | 54 | Low | 113 Ų | 113 | 119.1 Ų | 119.1 | 73% | 0.734 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -73.9 | 8.5 | -177.1 | 29.8 | -34.7 | 0 | 0 | 0 | 113.9 | | |
| 72 | Y | 49.6 | Very low | 53.6 | Low | 175 Ų | 175 | 117.9 Ų | 117.9 | 69% | 0.686 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -118.1 | 127.9 | -180 | -54.4 | -72.1 | 0 | 0 | 0 | 109.4 | F70 L74 | F70-Y72 PolarHBondContact O-N 2.87Å; Y72-L74 PolarHBondContact O-N 3.17Å |
| 73 | S | 53 | Low | 53.7 | Low | 91 Ų | 91 | 115.7 Ų | 115.7 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | | | trans | -56.5 | 132 | 176.3 | -65.1 | 0 | 0 | 0 | 0 | 109.8 | G75 E76 | S73-G75 PolarHBondContact O-N 2.63Å; S73-E76 PolarHBondContact O-N 3.5Å |
| 74 | L | 53 | Low | 53.9 | Low | 155 Ų | 155 | 112.3 Ų | 112.3 | 81% | 0.812 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -55.4 | -11.3 | 178.4 | -162.4 | 66.5 | 0 | 0 | 0 | 113.6 | Y72 S80 | Y72-L74 PolarHBondContact O-N 3.17Å; L74-S80 PolarHBondContact O-OG 2.72Å |
| 75 | G | 53.5 | Low | 54.1 | Low | 40 Ų | 40 | 113.1 Ų | 113.1 | 41% | 0.412 | 68% | 0.678 | S | S | . | * | G | 310 helix | trans | -73.7 | -15.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | S73 S80 A82 | S73-G75 PolarHBondContact O-N 2.63Å; G75-S80 WeakPolarHBondContact O-CB 3.46Å; G75-A82 WeakPolarHBondContact O-CB 3.43Å |
| 76 | E | 54.2 | Low | 54.5 | Low | 149 Ų | 149 | 114.7 Ų | 114.7 | 70% | 0.696 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -100.8 | -2.9 | -177.2 | -65.9 | 174.8 | -176.8 | 0 | 0 | 113.8 | S73 A78 | S73-E76 PolarHBondContact O-N 3.5Å; E76-A78 PolarHBondContact O-N 3.17Å |
| 77 | A | 52.8 | Low | 54.8 | Low | 43 Ų | 43 | 113.5 Ų | 113.5 | 36% | 0.355 | 67% | 0.667 | S | S | . | * | S | Bend | trans | -55.8 | 142 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | W79 S80 | A77-W79 PolarHBondContact O-N 3.38Å; A77-S80 WeakPolarHBondContact O-CA 3.42Å; A77-S80 VanDerWaalsContact O-CB 3.29Å; A77-S80 WeakPolarHBondContact O-CB 3.28Å; A77-S80 PolarHBondContact O-N 3.2Å |
| 78 | A | 49.8 | Very low | 55 | Low | 109 Ų | 109 | 112.1 Ų | 112.1 | 90% | 0.901 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -11 | -179.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | E76 | E76-A78 PolarHBondContact O-N 3.17Š|
| 79 | W | 53.6 | Low | 54.6 | Low | 243 Ų | 243 | 114.3 Ų | 114.3 | 92% | 0.92 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.9 | -14.9 | 174.8 | -57.6 | 88.8 | 0 | 0 | 0 | 113.4 | A77 T81 | A77-W79 PolarHBondContact O-N 3.38Å; W79-T81 PolarHBondContact O-N 2.74Å; W79-T81 VanDerWaalsContact O-N 3.15Å |
| 80 | S | 56.1 | Low | 54.5 | Low | 49 Ų | 49 | 117.5 Ų | 117.5 | 34% | 0.343 | 66% | 0.657 | S | S | . | * | | | trans | -74.2 | 103.7 | 173.7 | -72.6 | 0 | 0 | 0 | 0 | 107.8 | L74 G75 A77 A82 | L74-S80 PolarHBondContact O-OG 2.72Å; G75-S80 WeakPolarHBondContact O-CB 3.46Å; A77-S80 WeakPolarHBondContact O-CA 3.42Å; A77-S80 VanDerWaalsContact O-CB 3.29Å; A77-S80 WeakPolarHBondContact O-CB 3.28Å; A77-S80 PolarHBondContact O-N 3.2Å; S80-A82 PolarHBondContact O-N 3.18Å |
| 81 | T | 56.2 | Low | 54.3 | Low | 112 Ų | 112 | 113.7 Ų | 113.7 | 69% | 0.687 | 65% | 0.647 | S | S | * | * | | | trans | -62.3 | 24.1 | 164.1 | -58.1 | 0 | 0 | 0 | 0 | 112.1 | W79 G83 D84 | W79-T81 PolarHBondContact O-N 2.74Å; W79-T81 VanDerWaalsContact O-N 3.15Å; T81-G83 PolarHBondContact O-N 3.03Å; T81-D84 HydrophobicContact CG2-CB 3.88Å |
| 82 | A | 51.6 | Low | 54.1 | Low | 82 Ų | 82 | 112.9 Ų | 112.9 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 40.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | G75 S80 | G75-A82 WeakPolarHBondContact O-CB 3.43Å; S80-A82 PolarHBondContact O-N 3.18Å |
| 83 | G | 57 | Low | 54.1 | Low | 68 Ų | 68 | 114.5 Ų | 114.5 | 70% | 0.701 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 167.4 | 2.2 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | T81 Q85 | T81-G83 PolarHBondContact O-N 3.03Å; G83-Q85 PolarHBondContact O-N 2.91Å |
| 84 | D | 59.2 | Low | 54.1 | Low | 114 Ų | 114 | 112.7 Ų | 112.7 | 61% | 0.61 | 64% | 0.642 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 119.3 | 173.9 | -157.3 | 20.2 | 0 | 0 | 0 | 108.5 | T81 | T81-D84 HydrophobicContact CG2-CB 3.88Š|
| 85 | Q | 59.7 | Low | 54 | Low | 163 Ų | 163 | 112.8 Ų | 112.8 | 76% | 0.762 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 139.8 | 178 | -61.9 | -164.2 | -91.3 | 0 | 0 | 108 | G83 M87 | G83-Q85 PolarHBondContact O-N 2.91Å; Q85-M87 PolarHBondContact O-N 2.79Å |
| 86 | P | 59.1 | Low | 54 | Low | 105 Ų | 105 | 117 Ų | 117 | 68% | 0.682 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -53.2 | 118.2 | 176.8 | 22.1 | -32.2 | 0 | 0 | 0 | 108.7 | P88 | P86-P88 VanDerWaalsContact O-N 3.1Š|
| 87 | M | 58.3 | Low | 54.1 | Low | 95 Ų | 95 | 114.3 Ų | 114.3 | 47% | 0.468 | 65% | 0.647 | S | S | . | * | P | Polyproline II helix | trans | -52 | 119 | -179.5 | -73.6 | -94 | -105.7 | 0 | 0 | 108.3 | Q85 Y89 L90 | Q85-M87 PolarHBondContact O-N 2.79Å; M87-Y89 HydrophobicContact CB-CD2 3.95Å; M87-Y89 HydrophobicContact CB-CE2 3.97Å; M87-Y89 HydrophobicContact CE-CE2 3.93Å; M87-Y89 HydrophobicContact CG-CE2 4.38Å; M87-Y89 PolarHBondContact O-N 2.89Å; M87-Y89 HydrophobicContact SD-CD2 4.39Å; M87-Y89 HydrophobicContact SD-CE2 3.54Å; M87-Y89 VanDerWaalsContact SD-CE2 3.54Å; M87-L90 HydrophobicContact CB-CD1 4.49Å; M87-L90 PolarHBondContact O-N 2.74Å |
| 88 | P | 58.6 | Low | 53.7 | Low | 96 Ų | 96 | 118.2 Ų | 118.2 | 62% | 0.623 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -17.8 | -167 | 21.3 | -32 | 0 | 0 | 0 | 113.2 | P86 | P86-P88 VanDerWaalsContact O-N 3.1Š|
| 89 | Y | 48.6 | Very low | 54.1 | Low | 163 Ų | 163 | 117.4 Ų | 117.4 | 64% | 0.639 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.3 | -19.7 | 179.7 | -6.7 | -80.3 | 0 | 0 | 0 | 113.8 | M87 | M87-Y89 HydrophobicContact CB-CD2 3.95Å; M87-Y89 HydrophobicContact CB-CE2 3.97Å; M87-Y89 HydrophobicContact CE-CE2 3.93Å; M87-Y89 HydrophobicContact CG-CE2 4.38Å; M87-Y89 PolarHBondContact O-N 2.89Å; M87-Y89 HydrophobicContact SD-CD2 4.39Å; M87-Y89 HydrophobicContact SD-CE2 3.54Å; M87-Y89 VanDerWaalsContact SD-CE2 3.54Å |
| 90 | L | 51.9 | Low | 54.3 | Low | 140 Ų | 140 | 113.4 Ų | 113.4 | 73% | 0.733 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | -23.7 | 180 | -78.9 | 169.6 | 0 | 0 | 0 | 113.3 | M87 T92 | M87-L90 HydrophobicContact CB-CD1 4.49Å; M87-L90 PolarHBondContact O-N 2.74Å; L90-T92 VanDerWaalsContact C-N 3.25Å; L90-T92 PolarHBondContact O-N 2.8Å |
| 91 | T | 49.6 | Very low | 54.3 | Low | 82 Ų | 82 | 120 Ų | 120 | 50% | 0.503 | 68% | 0.68 | S | S | . | * | G | 310 helix | trans | -68.9 | -22.7 | 179.1 | -60.4 | 0 | 0 | 0 | 0 | 112.8 | Y93 | T91-Y93 PolarHBondContact O-N 2.72Š|
| 92 | T | 50 | Low | 54.2 | Low | 96 Ų | 96 | 120.4 Ų | 120.4 | 59% | 0.589 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -75.3 | -21 | -170.7 | -139.9 | 0 | 0 | 0 | 0 | 114.8 | L90 | L90-T92 VanDerWaalsContact C-N 3.25Å; L90-T92 PolarHBondContact O-N 2.8Å |
| 93 | Y | 50.5 | Low | 54.7 | Low | 210 Ų | 210 | 127 Ų | 127 | 82% | 0.824 | 68% | 0.683 | S | S | * | * | G | 310 helix | trans | -95.4 | -10.3 | -177.8 | -73.4 | -76.1 | 0 | 0 | 0 | 114.1 | T91 | T91-Y93 PolarHBondContact O-N 2.72Š|
| 94 | G | 53.7 | Low | 55 | Low | 53 Ų | 53 | 129.6 Ų | 129.6 | 55% | 0.546 | 68% | 0.679 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.2 | -9.3 | -168.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 95 | Q | 50 | Low | 55 | Low | 157 Ų | 157 | 128.7 Ų | 128.7 | 73% | 0.734 | 68% | 0.68 | S | S | * | * | | | trans | -122 | 63 | -177.6 | -67.9 | -68 | -91.3 | 0 | 0 | 111.1 | | |
| 96 | M | 53 | Low | 54.8 | Low | 128 Ų | 128 | 129.1 Ų | 129.1 | 63% | 0.631 | 69% | 0.687 | S | S | * | * | | | trans | -118.8 | 51.5 | 165 | -59.9 | 171.2 | 93.1 | 0 | 0 | 109 | H102 | M96-H102 VanDerWaalsContact CE-ND1 3.27Å; M96-H102 WeakPolarHBondContact CE-ND1 3.32Å |
| 97 | S | 56.8 | Low | 54.7 | Low | 93 Ų | 93 | 126.1 Ų | 126.1 | 65% | 0.65 | 68% | 0.675 | S | S | * | * | | | trans | -95.6 | 106 | 152.6 | -176.1 | 0 | 0 | 0 | 0 | 102.6 | | |
| 98 | N | 45.6 | Very low | 54.6 | Low | 124 Ų | 124 | 127 Ų | 127 | 66% | 0.663 | 69% | 0.686 | S | S | * | * | S | Bend | | -166.4 | 100.8 | 76.7 | -56.4 | -35 | 0 | 0 | 0 | 108.9 | E100 | N98-E100 PolarHBondContact O-N 2.77Š|
| 99 | G | 56.7 | Low | 54.3 | Low | 92 Ų | 92 | 131.1 Ų | 131.1 | 95% | 0.948 | 69% | 0.694 | S | S | * | * | | | trans | 51.9 | 6.9 | 154.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 100 | E | 58.4 | Low | 54.6 | Low | 159 Ų | 159 | 128 Ų | 128 | 74% | 0.743 | 70% | 0.696 | S | S | * | * | | | trans | -98.1 | 132.5 | -177.6 | -105.9 | 166.2 | 134.7 | 0 | 0 | 111.1 | N98 H102 | N98-E100 PolarHBondContact O-N 2.77Å; E100-H102 PolarHBondContact O-N 2.74Å |
| 101 | H | 55.8 | Low | 54.6 | Low | 187 Ų | 187 | 128 Ų | 128 | 87% | 0.866 | 69% | 0.693 | S | S | * | * | | | trans | -66.1 | 96.3 | 173.9 | -101.4 | -110.6 | 0 | 0 | 0 | 108.9 | Y103 | H101-Y103 PolarHBondContact O-N 3.06Š|
| 102 | H | 53.9 | Low | 54.6 | Low | 122 Ų | 122 | 130.1 Ų | 130.1 | 57% | 0.565 | 71% | 0.708 | S | S | * | * | | | trans | -63.9 | 104.7 | 169.7 | -62.9 | 109.9 | 0 | 0 | 0 | 108.5 | M96 E100 I104 | M96-H102 VanDerWaalsContact CE-ND1 3.27Å; M96-H102 WeakPolarHBondContact CE-ND1 3.32Å; E100-H102 PolarHBondContact O-N 2.74Å; H102-I104 PolarHBondContact O-N 2.86Å; H102-I104 VanDerWaalsContact O-N 3.08Å |
| 103 | Y | 61.4 | Low | 54.5 | Low | 221 Ų | 221 | 127.9 Ų | 127.9 | 87% | 0.867 | 70% | 0.704 | S | S | * | * | | | trans | -58.1 | 113.6 | 167.1 | -112.6 | -94.6 | 0 | 0 | 0 | 107.5 | H101 P105 | H101-Y103 PolarHBondContact O-N 3.06Å; Y103-P105 WeakPolarHBondContact O-CD 3.38Å |
| 104 | I | 64.6 | Low | 54.5 | Low | 121 Ų | 121 | 122.6 Ų | 122.6 | 62% | 0.621 | 70% | 0.703 | S | S | * | * | | | trans | -60.8 | 123.7 | 167 | -61.4 | -167.8 | 0 | 0 | 0 | 106 | H102 D106 V108 | H102-I104 PolarHBondContact O-N 2.86Å; H102-I104 VanDerWaalsContact O-N 3.08Å; I104-D106 PolarHBondContact O-N 2.91Å; I104-V108 HydrophobicContact CG2-CG2 3.65Å |
| 105 | P | 58.3 | Low | 54.5 | Low | 96 Ų | 96 | 127.8 Ų | 127.8 | 62% | 0.623 | 72% | 0.718 | S | S | * | * | | | trans | -61.5 | 126.2 | 174.7 | 24.4 | -31.1 | 0 | 0 | 0 | 108 | Y103 G107 V108 | Y103-P105 WeakPolarHBondContact O-CD 3.38Å; P105-G107 PolarHBondContact O-N 3.35Å; P105-V108 HydrophobicContact CG-CG1 4.46Å; P105-V108 PolarHBondContact O-N 3.18Å |
| 106 | D | 56.5 | Low | 54.3 | Low | 171 Ų | 171 | 123.5 Ų | 123.5 | 91% | 0.914 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | 7.4 | -178.9 | -100.5 | -16.6 | 0 | 0 | 0 | 115.3 | I104 | I104-D106 PolarHBondContact O-N 2.91Š|
| 107 | G | 55.7 | Low | 54.3 | Low | 42 Ų | 42 | 124.5 Ų | 124.5 | 43% | 0.433 | 72% | 0.724 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.5 | -10.6 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | P105 F109 S110 | P105-G107 PolarHBondContact O-N 3.35Å; G107-F109 PolarHBondContact O-N 3.5Å; G107-S110 PolarHBondContact O-N 3.18Å; G107-S110 PolarHBondContact O-OG 3.05Å |
| 108 | V | 56 | Low | 53.3 | Low | 113 Ų | 113 | 126.5 Ų | 126.5 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | -21.4 | 179.8 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | I104 P105 | I104-V108 HydrophobicContact CG2-CG2 3.65Å; P105-V108 HydrophobicContact CG-CG1 4.46Å; P105-V108 PolarHBondContact O-N 3.18Å |
| 109 | F | 53.6 | Low | 53.8 | Low | 183 Ų | 183 | 130.2 Ų | 130.2 | 80% | 0.803 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | 53.9 | 170 | -140.5 | -91.3 | 0 | 0 | 0 | 109.5 | G107 Q111 | G107-F109 PolarHBondContact O-N 3.5Å; F109-Q111 PolarHBondContact O-N 2.78Å |
| 110 | S | 53.8 | Low | 53.6 | Low | 97 Ų | 97 | 132.2 Ų | 132.2 | 68% | 0.678 | 75% | 0.754 | S | S | * | * | | | trans | -64.1 | 92.8 | 163.8 | -66.7 | 0 | 0 | 0 | 0 | 107.8 | G107 | G107-S110 PolarHBondContact O-N 3.18Å; G107-S110 PolarHBondContact O-OG 3.05Å |
| 111 | Q | 53.3 | Low | 53.4 | Low | 141 Ų | 141 | 130.7 Ų | 130.7 | 66% | 0.659 | 75% | 0.754 | S | S | * | * | | | trans | -49.2 | 124.8 | 173.1 | -175.8 | 178.9 | -49.5 | 0 | 0 | 109.4 | F109 G113 | F109-Q111 PolarHBondContact O-N 2.78Å; Q111-G113 PolarHBondContact O-N 3.39Å |
| 112 | P | 49 | Very low | 53.2 | Low | 127 Ų | 127 | 127.6 Ų | 127.6 | 83% | 0.825 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -69.4 | 119.2 | 169.9 | 27.9 | -29.3 | 0 | 0 | 0 | 107.8 | | |
| 113 | G | 47.6 | Very low | 53.2 | Low | 49 Ų | 49 | 127.9 Ų | 127.9 | 51% | 0.505 | 76% | 0.759 | S | S | . | * | | | trans | 87.6 | 111.3 | 163.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q111 L115 | Q111-G113 PolarHBondContact O-N 3.39Å; G113-L115 PolarHBondContact O-N 3.32Å |
| 114 | A | 50.3 | Low | 52.7 | Low | 98 Ų | 98 | 122.1 Ų | 122.1 | 81% | 0.81 | 75% | 0.752 | S | S | * | * | | | trans | -54.7 | 103.3 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | G116 | A114-G116 PolarHBondContact O-N 2.82Š|
| 115 | L | 54.4 | Low | 51.9 | Low | 162 Ų | 162 | 122.2 Ų | 122.2 | 85% | 0.848 | 76% | 0.761 | S | S | * | * | | | trans | -78.8 | 93.1 | 151.3 | -67.4 | -177.7 | 0 | 0 | 0 | 105.6 | G113 N117 | G113-L115 PolarHBondContact O-N 3.32Å; L115-N117 PolarHBondContact O-N 3.06Å |
| 116 | G | 44.9 | Very low | 51.4 | Low | 67 Ų | 67 | 124.1 Ų | 124.1 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | | | trans | -53.2 | 129.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | A114 | A114-G116 PolarHBondContact O-N 2.82Š|
| 117 | N | 53.8 | Low | 51 | Low | 149 Ų | 149 | 120.5 Ų | 120.5 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | -59.9 | 159.8 | 160.6 | -79.8 | -18.8 | 0 | 0 | 0 | 110.4 | L115 | L115-N117 PolarHBondContact O-N 3.06Š|
| 118 | T | 36.5 | Very low | 50.6 | Low | 136 Ų | 136 | 127 Ų | 127 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | | | trans | 105.9 | 147.9 | 158.5 | 71 | 0 | 0 | 0 | 0 | 115.7 | | |
| 119 | P | 54.2 | Low | 50.1 | Low | 202 Ų | 202 | 128.3 Ų | 128.3 | 100% | 1.312 | 80% | 0.796 | S | S | * | * | | | cis | -113.5 | 0 | -34.4 | 35.3 | -24.9 | 0 | 0 | 0 | 113.6 | | |