| 1 | M | 46.7 | Very low | 53.7 | Low | 226 Ų | 226 | 154.5 Ų | 154.5 | 100% | 1.113 | 80% | 0.796 | S | S | * | * | | | | 0 | 88.3 | 0 | -83.2 | -95.5 | -174.3 | 0 | 0 | 101.7 | | |
| 2 | D | 57.9 | Low | 53.5 | Low | 143 Ų | 143 | 150.7 Ų | 150.7 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | | | trans | -116.7 | 127.8 | -163.8 | -61.4 | -87.4 | 0 | 0 | 0 | 107.3 | I4 | D2-I4 PolarHBondContact O-N 3.13Š|
| 3 | D | 60 | Low | 52.7 | Low | 142 Ų | 142 | 144.5 Ų | 144.5 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | | | trans | -63.7 | 117.1 | -165.9 | -53.8 | -65.6 | 0 | 0 | 0 | 111.1 | D5 | D3-D5 PolarHBondContact O-N 2.9Å; D3-D5 VanDerWaalsContact O-N 3.08Å |
| 4 | I | 57.5 | Low | 52.2 | Low | 171 Ų | 171 | 147.4 Ų | 147.4 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | | | trans | -85.1 | 63.5 | 170.3 | -51.8 | -67.2 | 0 | 0 | 0 | 107.2 | D2 | D2-I4 PolarHBondContact O-N 3.13Š|
| 5 | D | 57.6 | Low | 51.6 | Low | 124 Ų | 124 | 145.9 Ų | 145.9 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | | | trans | -91.3 | 117.5 | 171.1 | -85.9 | -25.7 | 0 | 0 | 0 | 109.8 | D3 | D3-D5 PolarHBondContact O-N 2.9Å; D3-D5 VanDerWaalsContact O-N 3.08Å |
| 6 | D | 56.8 | Low | 51.3 | Low | 135 Ų | 135 | 144.1 Ų | 144.1 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | trans | 51.8 | 99.5 | 135.7 | -65.5 | -26.2 | 0 | 0 | 0 | 116.9 | | |
| 7 | Q | 49.4 | Very low | 51 | Low | 158 Ų | 158 | 144.5 Ų | 144.5 | 74% | 0.738 | 80% | 0.797 | S | S | * | * | | | trans | -160.6 | 126.2 | 142.7 | -113 | 159.2 | 72.4 | 0 | 0 | 115.1 | | |
| 8 | R | 50.5 | Low | 50.4 | Low | 190 Ų | 190 | 141.8 Ų | 141.8 | 72% | 0.717 | 79% | 0.789 | S | S | * | * | | | trans | 106.4 | 66.9 | 144.9 | -60.3 | 153.4 | -168.5 | -101.8 | -1.7 | 115.8 | M10 | R8-M10 HydrophobicContact CB-CG 4.34Å; R8-M10 PolarHBondContact O-N 2.83Å |
| 9 | S | 48 | Very low | 50.2 | Low | 115 Ų | 115 | 144.5 Ų | 144.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -51.4 | 102.4 | 138.4 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 10 | M | 56.8 | Low | 49.8 | Very low | 164 Ų | 164 | 148.8 Ų | 148.8 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | | | trans | -104 | 84.6 | 171.7 | -78.9 | 175 | 42.4 | 0 | 0 | 108.7 | R8 S12 | R8-M10 HydrophobicContact CB-CG 4.34Å; R8-M10 PolarHBondContact O-N 2.83Å; M10-S12 PolarHBondContact O-N 2.93Å; M10-S12 VanDerWaalsContact O-N 3.1Å |
| 11 | V | 49.5 | Very low | 49.2 | Very low | 131 Ų | 131 | 149 Ų | 149 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | | | trans | -70 | 104.9 | 165.9 | 178.4 | 0 | 0 | 0 | 0 | 107.3 | G13 | V11-G13 PolarHBondContact O-N 3.5Š|
| 12 | S | 50.9 | Low | 49.2 | Very low | 109 Ų | 109 | 146.2 Ų | 146.2 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | -61.8 | 113.8 | -175.9 | -158.9 | 0 | 0 | 0 | 0 | 110.8 | M10 Q14 | M10-S12 PolarHBondContact O-N 2.93Å; M10-S12 VanDerWaalsContact O-N 3.1Å; S12-Q14 PolarHBondContact O-N 3.31Å |
| 13 | G | 43.6 | Very low | 48.3 | Very low | 70 Ų | 70 | 150.9 Ų | 150.9 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | | | trans | -64.4 | 104.8 | 176 | 0 | 0 | 0 | 0 | 0 | 110.8 | V11 C15 | V11-G13 PolarHBondContact O-N 3.5Å; G13-C15 PolarHBondContact O-N 2.82Å; G13-C15 VanDerWaalsContact O-N 3.13Å |
| 14 | Q | 46.2 | Very low | 47.5 | Very low | 185 Ų | 185 | 149 Ų | 149 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -59.9 | 113.2 | 170.3 | -72.5 | -173 | -17.9 | 0 | 0 | 109.3 | S12 C16 | S12-Q14 PolarHBondContact O-N 3.31Å; Q14-C16 PolarHBondContact O-N 2.58Å |
| 15 | C | 43.1 | Very low | 46.5 | Very low | 125 Ų | 125 | 144.5 Ų | 144.5 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | | | trans | -76.9 | 118.9 | -177.6 | -136.8 | 0 | 0 | 0 | 0 | 110.2 | G13 L17 | G13-C15 PolarHBondContact O-N 2.82Å; G13-C15 VanDerWaalsContact O-N 3.13Å; C15-L17 PolarHBondContact O-N 2.79Å; C15-L17 VanDerWaalsContact O-N 3.13Å |
| 16 | C | 46.6 | Very low | 45.6 | Very low | 118 Ų | 118 | 149.8 Ų | 149.8 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | -75.5 | 91.1 | -176.7 | -46.4 | 0 | 0 | 0 | 0 | 111.3 | Q14 S18 | Q14-C16 PolarHBondContact O-N 2.58Å; C16-S18 PolarHBondContact O-N 3.12Å |
| 17 | L | 46.8 | Very low | 45.1 | Very low | 151 Ų | 151 | 149.7 Ų | 149.7 | 79% | 0.791 | 79% | 0.792 | S | S | * | * | | | trans | -74.2 | 80 | 164.2 | -65.7 | 178.7 | 0 | 0 | 0 | 109.2 | C15 F19 | C15-L17 PolarHBondContact O-N 2.79Å; C15-L17 VanDerWaalsContact O-N 3.13Å; L17-F19 PolarHBondContact O-N 3.16Å |
| 18 | S | 40.2 | Very low | 44.7 | Very low | 95 Ų | 95 | 150.1 Ų | 150.1 | 66% | 0.664 | 79% | 0.793 | S | S | * | * | | | trans | -74.2 | 109.3 | 171.7 | 178.1 | 0 | 0 | 0 | 0 | 109.5 | C16 R20 | C16-S18 PolarHBondContact O-N 3.12Å; S18-R20 VanDerWaalsContact C-N 3.31Å; S18-R20 PolarHBondContact O-N 2.72Å |
| 19 | F | 46.8 | Very low | 44.4 | Very low | 194 Ų | 194 | 146 Ų | 146 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | | | trans | -65.2 | 85 | 170.1 | -63.9 | -87.4 | 0 | 0 | 0 | 110 | L17 N21 | L17-F19 PolarHBondContact O-N 3.16Å; F19-N21 PolarHBondContact O-N 2.81Å |
| 20 | R | 41.5 | Very low | 44.4 | Very low | 230 Ų | 230 | 147 Ų | 147 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | | | trans | -69 | 95.7 | 168.8 | -76.9 | -173.4 | 176 | 179.8 | -0.1 | 109.5 | S18 L22 | S18-R20 VanDerWaalsContact C-N 3.31Å; S18-R20 PolarHBondContact O-N 2.72Å; R20-L22 PolarHBondContact O-N 3.29Å |
| 21 | N | 37 | Very low | 44.1 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | 19.5 | 88.3 | 144.3 | -94 | -21.5 | 0 | 0 | 0 | 115.5 | F19 R23 | F19-N21 PolarHBondContact O-N 2.81Å; N21-R23 VanDerWaalsContact C-N 3.31Å; N21-R23 PolarHBondContact O-N 2.8Å |
| 22 | L | 46.4 | Very low | 43.7 | Very low | 168 Ų | 168 | 144 Ų | 144 | 88% | 0.88 | 78% | 0.776 | S | S | * | * | | | trans | -65.3 | 98.1 | 153.7 | -78 | 161.9 | 0 | 0 | 0 | 106.8 | R20 T24 | R20-L22 PolarHBondContact O-N 3.29Å; L22-T24 PolarHBondContact O-N 3.04Å |
| 23 | R | 38.8 | Very low | 43.6 | Very low | 241 Ų | 241 | 143.8 Ų | 143.8 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | | | trans | -53.9 | 100.6 | 171.5 | -76.2 | 175 | 169.6 | 164.5 | -4.1 | 108.5 | N21 G25 | N21-R23 VanDerWaalsContact C-N 3.31Å; N21-R23 PolarHBondContact O-N 2.8Å; R23-G25 PolarHBondContact O-N 3.08Å |
| 24 | T | 43.6 | Very low | 43.6 | Very low | 104 Ų | 104 | 151 Ų | 151 | 64% | 0.638 | 77% | 0.772 | S | S | * | * | | | trans | -64.9 | 96.8 | 173 | 45.3 | 0 | 0 | 0 | 0 | 109.2 | L22 R26 | L22-T24 PolarHBondContact O-N 3.04Å; T24-R26 PolarHBondContact O-N 2.75Å |
| 25 | G | 37.2 | Very low | 43.4 | Very low | 75 Ų | 75 | 150.6 Ų | 150.6 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | | | trans | -64 | 109.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | R23 | R23-G25 PolarHBondContact O-N 3.08Š|
| 26 | R | 38 | Very low | 43.4 | Very low | 235 Ų | 235 | 148.6 Ų | 148.6 | 89% | 0.887 | 76% | 0.757 | S | S | * | * | | | trans | 38.6 | 85.1 | 164.2 | -66.4 | -175.8 | 174.5 | -173.6 | -1.9 | 116 | T24 H28 | T24-R26 PolarHBondContact O-N 2.75Å; R26-H28 PolarHBondContact O-N 2.8Å |
| 27 | L | 47.3 | Very low | 42.9 | Very low | 133 Ų | 133 | 151.5 Ų | 151.5 | 70% | 0.696 | 75% | 0.753 | S | S | * | * | | | trans | -61.3 | 102.8 | 165 | -65.5 | 167.2 | 0 | 0 | 0 | 109.6 | | |
| 28 | H | 39.2 | Very low | 43 | Very low | 167 Ų | 167 | 150.3 Ų | 150.3 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | | | trans | -63.9 | 132.2 | 149.9 | -86.5 | -90.7 | 0 | 0 | 0 | 107.2 | R26 L30 | R26-H28 PolarHBondContact O-N 2.8Å; H28-L30 PolarHBondContact O-N 3.42Å |
| 29 | P | 45.9 | Very low | 43.2 | Very low | 104 Ų | 104 | 154.5 Ų | 154.5 | 68% | 0.675 | 76% | 0.756 | S | S | * | * | | | trans | -59.1 | 130.3 | -176.9 | 21.6 | -30.2 | 0 | 0 | 0 | 109.9 | S31 | P29-S31 PolarHBondContact O-N 3.11Š|
| 30 | L | 47.9 | Very low | 43 | Very low | 137 Ų | 137 | 150.9 Ų | 150.9 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.2 | 42.8 | -173.2 | -67.2 | 167.7 | 0 | 0 | 0 | 113.5 | H28 L33 | H28-L30 PolarHBondContact O-N 3.42Å; L30-L33 HydrophobicContact CD2-CB 4.43Å; L30-L33 HydrophobicContact CD2-CD2 4.21Å |
| 31 | S | 49.7 | Very low | 43.5 | Very low | 88 Ų | 88 | 145.4 Ų | 145.4 | 62% | 0.615 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -28.4 | 173.7 | 49 | 0 | 0 | 0 | 0 | 113 | P29 | P29-S31 PolarHBondContact O-N 3.11Š|
| 32 | D | 42 | Very low | 44.1 | Very low | 142 Ų | 142 | 143 Ų | 143 | 76% | 0.759 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -92.7 | -6.7 | -177 | -84 | -7.6 | 0 | 0 | 0 | 114.9 | R34 | D32-R34 PolarHBondContact O-N 2.8Š|
| 33 | L | 47.7 | Very low | 44 | Very low | 106 Ų | 106 | 139.9 Ų | 139.9 | 56% | 0.555 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | 43.6 | 175.6 | -160.5 | 74.1 | 0 | 0 | 0 | 111.9 | L30 | L30-L33 HydrophobicContact CD2-CB 4.43Å; L30-L33 HydrophobicContact CD2-CD2 4.21Å |
| 34 | R | 43.3 | Very low | 44.3 | Very low | 222 Ų | 222 | 134.4 Ų | 134.4 | 84% | 0.838 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.2 | -5.8 | 163.8 | -71.7 | -169.9 | 179.5 | -172.5 | 1.4 | 112.5 | D32 | D32-R34 PolarHBondContact O-N 2.8Š|
| 35 | H | 43.4 | Very low | 44.2 | Very low | 175 Ų | 175 | 132.6 Ų | 132.6 | 81% | 0.81 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -120.7 | 8.6 | -167.6 | -66.3 | -14.9 | 0 | 0 | 0 | 116.3 | | |
| 36 | S | 42.9 | Very low | 44.7 | Very low | 84 Ų | 84 | 140 Ų | 140 | 59% | 0.587 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -152 | 43.5 | -176.2 | 55.6 | 0 | 0 | 0 | 0 | 116 | | |
| 37 | Y | 34.6 | Very low | 45 | Very low | 179 Ų | 179 | 134.5 Ų | 134.5 | 70% | 0.702 | 69% | 0.692 | S | S | * | * | | | trans | -131.2 | 112.5 | 154.6 | -107.9 | -90.5 | 0 | 0 | 0 | 109.1 | Y39 | Y37-Y39 PolarHBondContact O-N 2.93Å; Y37-Y39 VanDerWaalsContact O-N 3.13Å |
| 38 | P | 50.3 | Low | 44.9 | Very low | 125 Ų | 125 | 131.9 Ų | 131.9 | 81% | 0.812 | 69% | 0.685 | S | S | * | * | | | trans | -79.8 | 17.2 | -179.5 | 33.6 | -34.1 | 0 | 0 | 0 | 113 | | |
| 39 | Y | 43.8 | Very low | 45.3 | Very low | 183 Ų | 183 | 130 Ų | 130 | 72% | 0.718 | 68% | 0.68 | S | S | * | * | | | trans | -98.1 | 99 | 168 | -75.6 | -78.7 | 0 | 0 | 0 | 107.9 | Y37 I41 | Y37-Y39 PolarHBondContact O-N 2.93Å; Y37-Y39 VanDerWaalsContact O-N 3.13Å; Y39-I41 WeakPolarHBondContact O-CG1 3.1Å; Y39-I41 PolarHBondContact O-N 2.82Å |
| 40 | D | 41.7 | Very low | 45.2 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 63% | 0.631 | 68% | 0.676 | S | S | * | * | | | trans | -68.3 | 81.6 | 174.7 | -160.8 | 2.1 | 0 | 0 | 0 | 109.5 | S42 S43 | D40-S42 PolarHBondContact O-N 3.13Å; D40-S42 VanDerWaalsContact O-N 3.12Å; D40-S42 WeakPolarHBondContact OD1-CB 3.43Å; D40-S42 PolarHBondContact OD1-N 3.37Å; D40-S42 PolarHBondContact OD1-OG 3.09Å; D40-S43 PolarHBondContact O-N 2.92Å; D40-S43 PolarHBondContact O-OG 3.01Å; D40-S43 VanDerWaalsContact O-OG 3.11Å |
| 41 | I | 52.7 | Low | 45.1 | Very low | 115 Ų | 115 | 126.6 Ų | 126.6 | 59% | 0.59 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -67.6 | -2.5 | 175.6 | -59.1 | 157.3 | 0 | 0 | 0 | 110.4 | Y39 S43 L44 | Y39-I41 WeakPolarHBondContact O-CG1 3.1Å; Y39-I41 PolarHBondContact O-N 2.82Å; I41-S43 PolarHBondContact O-N 3.09Å; I41-S43 VanDerWaalsContact O-N 3.13Å; I41-L44 HydrophobicContact CG2-CB 4.04Å; I41-L44 HydrophobicContact CG2-CD1 3.96Å; I41-L44 WeakPolarHBondContact O-CB 3.21Å; I41-L44 PolarHBondContact O-N 2.88Å |
| 42 | S | 49 | Very low | 45 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 71% | 0.713 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -59.8 | -19.3 | 169.8 | -43.4 | 0 | 0 | 0 | 0 | 112.8 | D40 | D40-S42 PolarHBondContact O-N 3.13Å; D40-S42 VanDerWaalsContact O-N 3.12Å; D40-S42 WeakPolarHBondContact OD1-CB 3.43Å; D40-S42 PolarHBondContact OD1-N 3.37Å; D40-S42 PolarHBondContact OD1-OG 3.09Å |
| 43 | S | 44.7 | Very low | 45.5 | Very low | 103 Ų | 103 | 133.2 Ų | 133.2 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -81.3 | -12.7 | 172.5 | 63.8 | 0 | 0 | 0 | 0 | 114.4 | D40 I41 S45 | D40-S43 PolarHBondContact O-N 2.92Å; D40-S43 PolarHBondContact O-OG 3.01Å; D40-S43 VanDerWaalsContact O-OG 3.11Å; I41-S43 PolarHBondContact O-N 3.09Å; I41-S43 VanDerWaalsContact O-N 3.13Å; S43-S45 PolarHBondContact O-N 3.18Å |
| 44 | L | 44.7 | Very low | 45.1 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 66% | 0.66 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -76.2 | 69.1 | 164.8 | -96.3 | 124.9 | 0 | 0 | 0 | 108.5 | I41 R46 | I41-L44 HydrophobicContact CG2-CB 4.04Å; I41-L44 HydrophobicContact CG2-CD1 3.96Å; I41-L44 WeakPolarHBondContact O-CB 3.21Å; I41-L44 PolarHBondContact O-N 2.88Å; L44-R46 PolarHBondContact O-N 2.83Å |
| 45 | S | 41.5 | Very low | 45.1 | Very low | 66 Ų | 66 | 123 Ų | 123 | 46% | 0.462 | 66% | 0.664 | S | S | . | * | | | trans | -44.8 | 111.3 | 165.3 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | S43 N47 S48 | S43-S45 PolarHBondContact O-N 3.18Å; S45-N47 PolarHBondContact O-N 2.95Å; S45-N47 WeakPolarHBondContact OG-CB 3.45Å; S45-S48 PolarHBondContact O-N 3.33Å |
| 46 | R | 47.6 | Very low | 45.4 | Very low | 231 Ų | 231 | 124.5 Ų | 124.5 | 87% | 0.872 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -57.5 | 1.1 | 173.6 | -76.9 | 177.2 | 159 | 160.8 | -5.1 | 113.1 | L44 S48 | L44-R46 PolarHBondContact O-N 2.83Å; R46-S48 VanDerWaalsContact C-N 3.31Å; R46-S48 PolarHBondContact O-N 3.4Å |
| 47 | N | 45.2 | Very low | 45.5 | Very low | 119 Ų | 119 | 124.5 Ų | 124.5 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | G | 310 helix | trans | -81.9 | -2.2 | 177.7 | -61.1 | -7 | 0 | 0 | 0 | 113.5 | S45 L49 S50 | S45-N47 PolarHBondContact O-N 2.95Å; S45-N47 WeakPolarHBondContact OG-CB 3.45Å; N47-L49 VanDerWaalsContact C-N 3.32Å; N47-S50 PolarHBondContact O-OG 2.88Å |
| 48 | S | 46.1 | Very low | 46.3 | Very low | 78 Ų | 78 | 125 Ų | 125 | 55% | 0.545 | 67% | 0.671 | S | S | . | * | G | 310 helix | trans | -75.3 | -18.7 | 175.3 | 61.6 | 0 | 0 | 0 | 0 | 113.8 | S45 R46 | S45-S48 PolarHBondContact O-N 3.33Å; R46-S48 VanDerWaalsContact C-N 3.31Å; R46-S48 PolarHBondContact O-N 3.4Å |
| 49 | L | 46.8 | Very low | 46.5 | Very low | 128 Ų | 128 | 122.5 Ų | 122.5 | 67% | 0.67 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -22 | 178.6 | -66.6 | 178.7 | 0 | 0 | 0 | 113.7 | N47 S51 I52 | N47-L49 VanDerWaalsContact C-N 3.32Å; L49-S51 VanDerWaalsContact C-N 3.26Å; L49-S51 PolarHBondContact O-N 3.25Å; L49-I52 HydrophobicContact CD2-CD1 3.88Å; L49-I52 PolarHBondContact O-N 3.49Å |
| 50 | S | 43.9 | Very low | 46.4 | Very low | 84 Ų | 84 | 119 Ų | 119 | 59% | 0.587 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -71.8 | -22.7 | 173 | 41.4 | 0 | 0 | 0 | 0 | 112.4 | N47 I52 R53 | N47-S50 PolarHBondContact O-OG 2.88Å; S50-I52 VanDerWaalsContact C-N 3.28Å; S50-I52 PolarHBondContact O-N 2.99Å; S50-R53 PolarHBondContact O-N 2.87Å |
| 51 | S | 46.1 | Very low | 46.7 | Very low | 85 Ų | 85 | 116.2 Ų | 116.2 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -68.9 | -23.5 | 176.2 | -165.7 | 0 | 0 | 0 | 0 | 113.5 | L49 R53 G54 A55 | L49-S51 VanDerWaalsContact C-N 3.26Å; L49-S51 PolarHBondContact O-N 3.25Å; S51-R53 VanDerWaalsContact C-N 3.26Å; S51-R53 PolarHBondContact O-N 3.48Å; S51-G54 PolarHBondContact O-N 3.25Å; S51-A55 PolarHBondContact O-N 3.39Å |
| 52 | I | 47.9 | Very low | 46.4 | Very low | 124 Ų | 124 | 118.7 Ų | 118.7 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | G | 310 helix | trans | -68.9 | -30.1 | -179.8 | -63.7 | 173.1 | 0 | 0 | 0 | 110.8 | L49 S50 G54 | L49-I52 HydrophobicContact CD2-CD1 3.88Å; L49-I52 PolarHBondContact O-N 3.49Å; S50-I52 VanDerWaalsContact C-N 3.28Å; S50-I52 PolarHBondContact O-N 2.99Å; I52-G54 PolarHBondContact O-N 2.93Å |
| 53 | R | 51.1 | Low | 46.5 | Very low | 244 Ų | 244 | 122.4 Ų | 122.4 | 92% | 0.921 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -74.3 | -15.5 | 179.5 | -154.8 | 178.7 | -99.5 | -155.8 | -3.8 | 112.6 | S50 S51 | S50-R53 PolarHBondContact O-N 2.87Å; S51-R53 VanDerWaalsContact C-N 3.26Å; S51-R53 PolarHBondContact O-N 3.48Å |
| 54 | G | 40.5 | Very low | 46.9 | Very low | 62 Ų | 62 | 124.3 Ų | 124.3 | 64% | 0.639 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -16.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | S51 I52 K56 | S51-G54 PolarHBondContact O-N 3.25Å; I52-G54 PolarHBondContact O-N 2.93Å; G54-K56 PolarHBondContact O-N 2.88Å |
| 55 | A | 42.3 | Very low | 47.2 | Very low | 53 Ų | 53 | 124.4 Ų | 124.4 | 44% | 0.438 | 66% | 0.656 | S | S | . | * | | | trans | -76.1 | 88.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | S51 T57 | S51-A55 PolarHBondContact O-N 3.39Å; A55-T57 PolarHBondContact O-N 3.28Å |
| 56 | K | 50.2 | Low | 47.7 | Very low | 205 Ų | 205 | 125.1 Ų | 125.1 | 89% | 0.891 | 66% | 0.661 | S | S | * | * | | | trans | -71.4 | -8.8 | 177.9 | -110.6 | 173 | 177.8 | 174.8 | 0 | 113.7 | G54 | G54-K56 PolarHBondContact O-N 2.88Š|
| 57 | T | 45.6 | Very low | 47.7 | Very low | 85 Ų | 85 | 120.9 Ų | 120.9 | 52% | 0.521 | 66% | 0.656 | S | S | . | * | S | Bend | trans | -146.3 | 131.8 | -177.7 | 34.9 | 0 | 0 | 0 | 0 | 111.9 | A55 A59 D60 | A55-T57 PolarHBondContact O-N 3.28Å; T57-A59 PolarHBondContact O-N 2.96Å; T57-D60 PolarHBondContact O-N 3Å |
| 58 | F | 50.9 | Low | 47.8 | Very low | 189 Ų | 189 | 121.2 Ų | 121.2 | 83% | 0.829 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.8 | -9.4 | 178.1 | -81.7 | -87 | 0 | 0 | 0 | 115.4 | D60 S61 | F58-D60 VanDerWaalsContact C-N 3.33Å; F58-S61 PolarHBondContact O-OG 3.02Å; F58-S61 VanDerWaalsContact O-OG 3.12Å |
| 59 | A | 53.6 | Low | 47.9 | Very low | 73 Ų | 73 | 125.1 Ų | 125.1 | 60% | 0.603 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -33 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | T57 S61 | T57-A59 PolarHBondContact O-N 2.96Å; A59-S61 PolarHBondContact O-N 3.11Å |
| 60 | D | 41.4 | Very low | 47.9 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 58% | 0.578 | 68% | 0.681 | S | S | * | * | G | 310 helix | trans | -80.9 | -16.4 | -173.9 | -59.9 | -25.4 | 0 | 0 | 0 | 112.9 | T57 F58 K62 | T57-D60 PolarHBondContact O-N 3Å; F58-D60 VanDerWaalsContact C-N 3.33Å; D60-K62 VanDerWaalsContact C-N 3.31Å; D60-K62 PolarHBondContact O-N 2.87Å |
| 61 | S | 47.9 | Very low | 48.1 | Very low | 61 Ų | 61 | 128.3 Ų | 128.3 | 43% | 0.427 | 69% | 0.688 | S | S | . | * | G | 310 helix | trans | -78.5 | -12.6 | 179.6 | 65.7 | 0 | 0 | 0 | 0 | 113.8 | F58 A59 F63 L64 | F58-S61 PolarHBondContact O-OG 3.02Å; F58-S61 VanDerWaalsContact O-OG 3.12Å; A59-S61 PolarHBondContact O-N 3.11Å; S61-F63 VanDerWaalsContact C-N 3.29Å; S61-F63 PolarHBondContact O-N 3.01Å; S61-L64 PolarHBondContact O-N 3.4Å |
| 62 | K | 48.4 | Very low | 47.8 | Very low | 167 Ų | 167 | 131.8 Ų | 131.8 | 73% | 0.726 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -72 | -21.1 | -179.1 | -65.6 | -166.6 | -179.5 | -165 | 0 | 113.6 | D60 L64 | D60-K62 VanDerWaalsContact C-N 3.31Å; D60-K62 PolarHBondContact O-N 2.87Å; K62-L64 PolarHBondContact O-N 3.19Å |
| 63 | F | 51.1 | Low | 47.7 | Very low | 179 Ų | 179 | 133.6 Ų | 133.6 | 79% | 0.785 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -74.1 | -5.6 | 179.7 | -119.3 | -82.7 | 0 | 0 | 0 | 114 | S61 | S61-F63 VanDerWaalsContact C-N 3.29Å; S61-F63 PolarHBondContact O-N 3.01Å |
| 64 | L | 52.2 | Low | 46.9 | Very low | 143 Ų | 143 | 124 Ų | 124 | 75% | 0.749 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -89.9 | -8.6 | -178.7 | -70 | 174.1 | 0 | 0 | 0 | 114.3 | S61 K62 | S61-L64 PolarHBondContact O-N 3.4Å; K62-L64 PolarHBondContact O-N 3.19Å |
| 65 | L | 51.9 | Low | 46.8 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | S | Bend | trans | -102.5 | -8 | -179 | -65.1 | -178.9 | 0 | 0 | 0 | 114.3 | N67 I68 | L65-N67 VanDerWaalsContact C-N 3.31Å; L65-N67 PolarHBondContact O-N 3.38Å; L65-I68 HydrophobicContact CD2-CD1 4.19Å |
| 66 | S | 50.8 | Low | 46.9 | Very low | 80 Ų | 80 | 128.9 Ų | 128.9 | 56% | 0.559 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -10 | -176.8 | 61.2 | 0 | 0 | 0 | 0 | 114.7 | | |
| 67 | N | 47.2 | Very low | 46.4 | Very low | 143 Ų | 143 | 126.9 Ų | 126.9 | 77% | 0.765 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 13.3 | -175.9 | -72.1 | 2.6 | 0 | 0 | 0 | 114.1 | L65 L69 | L65-N67 VanDerWaalsContact C-N 3.31Å; L65-N67 PolarHBondContact O-N 3.38Å; N67-L69 VanDerWaalsContact C-N 3.34Å; N67-L69 PolarHBondContact O-N 3.4Å; N67-L69 VanDerWaalsContact O-N 3.09Å |
| 68 | I | 48.2 | Very low | 46.3 | Very low | 126 Ų | 126 | 131 Ų | 131 | 65% | 0.646 | 71% | 0.711 | S | S | * | * | | | trans | -78.7 | 96.1 | 165 | -54 | 175.5 | 0 | 0 | 0 | 105.5 | L65 E70 | L65-I68 HydrophobicContact CD2-CD1 4.19Å; I68-E70 PolarHBondContact O-N 3.45Å; I68-E70 VanDerWaalsContact O-N 3.09Å |
| 69 | L | 48.7 | Very low | 45.7 | Very low | 160 Ų | 160 | 126.4 Ų | 126.4 | 84% | 0.838 | 71% | 0.707 | S | S | * | * | | | trans | -46.6 | 118 | 164.5 | -83.1 | 149.3 | 0 | 0 | 0 | 107 | N67 A71 | N67-L69 VanDerWaalsContact C-N 3.34Å; N67-L69 PolarHBondContact O-N 3.4Å; N67-L69 VanDerWaalsContact O-N 3.09Å; L69-A71 VanDerWaalsContact C-N 3.32Å; L69-A71 PolarHBondContact O-N 3.45Å |
| 70 | E | 45.5 | Very low | 44.9 | Very low | 191 Ų | 191 | 134.3 Ų | 134.3 | 89% | 0.893 | 72% | 0.721 | S | S | * | * | | | trans | -50.4 | 103.7 | 168 | -71.5 | 179.7 | 157.8 | 0 | 0 | 106.4 | I68 D72 | I68-E70 PolarHBondContact O-N 3.45Å; I68-E70 VanDerWaalsContact O-N 3.09Å; E70-D72 VanDerWaalsContact C-N 3.33Å; E70-D72 PolarHBondContact O-N 3.47Å |
| 71 | A | 49.4 | Very low | 44.8 | Very low | 88 Ų | 88 | 133 Ų | 133 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | | | trans | -68 | 101.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | L69 D73 | L69-A71 VanDerWaalsContact C-N 3.32Å; L69-A71 PolarHBondContact O-N 3.45Å; A71-D73 PolarHBondContact O-N 3.47Å; A71-D73 VanDerWaalsContact O-N 3.16Å |
| 72 | D | 39.5 | Very low | 44.1 | Very low | 158 Ų | 158 | 137.7 Ų | 137.7 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | | | trans | -36.1 | 116.4 | 171.7 | -166.3 | 21.9 | 0 | 0 | 0 | 109.6 | E70 G74 | E70-D72 VanDerWaalsContact C-N 3.33Å; E70-D72 PolarHBondContact O-N 3.47Å; D72-G74 PolarHBondContact O-N 3.39Å |
| 73 | D | 45.6 | Very low | 43.5 | Very low | 162 Ų | 162 | 136.2 Ų | 136.2 | 87% | 0.866 | 74% | 0.737 | S | S | * | * | | | trans | -67.7 | 71.2 | -177.3 | -81.8 | -41.8 | 0 | 0 | 0 | 109.5 | A71 | A71-D73 PolarHBondContact O-N 3.47Å; A71-D73 VanDerWaalsContact O-N 3.16Å |
| 74 | G | 33.3 | Very low | 42.7 | Very low | 43 Ų | 43 | 137 Ų | 137 | 44% | 0.443 | 74% | 0.742 | S | S | . | * | | | trans | -59.3 | 136.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109 | D72 V76 | D72-G74 PolarHBondContact O-N 3.39Å; G74-V76 PolarHBondContact O-N 2.83Å |
| 75 | P | 38.5 | Very low | 42.2 | Very low | 117 Ų | 117 | 139.8 Ų | 139.8 | 76% | 0.76 | 74% | 0.744 | S | S | * | * | | | trans | -61.2 | 102.5 | -174.5 | 24.3 | -33.3 | 0 | 0 | 0 | 109.6 | L77 | P75-L77 VanDerWaalsContact C-N 3.26Å; P75-L77 PolarHBondContact O-N 3.17Å |
| 76 | V | 44.2 | Very low | 41.5 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 61% | 0.606 | 75% | 0.748 | S | S | * | * | | | trans | -67.2 | 93.5 | 171.1 | -175.6 | 0 | 0 | 0 | 0 | 106.3 | G74 F78 | G74-V76 PolarHBondContact O-N 2.83Å; V76-F78 HydrophobicContact CB-CD2 4.08Å; V76-F78 HydrophobicContact CB-CE2 3.66Å; V76-F78 HydrophobicContact CB-CZ 3.99Å; V76-F78 HydrophobicContact CG1-CD1 3.91Å; V76-F78 HydrophobicContact CG1-CD2 3.75Å; V76-F78 HydrophobicContact CG1-CE1 3.63Å; V76-F78 HydrophobicContact CG1-CE2 3.47Å; V76-F78 VanDerWaalsContact CG1-CE2 3.47Å; V76-F78 HydrophobicContact CG1-CG 3.98Å; V76-F78 HydrophobicContact CG1-CZ 3.41Å; V76-F78 VanDerWaalsContact CG1-CZ 3.41Å; V76-F78 WeakPolarHBondContact O-CD2 3.4Å; V76-F78 PolarHBondContact O-N 2.96Å |
| 77 | L | 40.2 | Very low | 41 | Very low | 162 Ų | 162 | 140 Ų | 140 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | | | trans | -64.7 | 82.5 | 167.1 | -68.8 | 171.9 | 0 | 0 | 0 | 107.2 | P75 A79 | P75-L77 VanDerWaalsContact C-N 3.26Å; P75-L77 PolarHBondContact O-N 3.17Å; L77-A79 PolarHBondContact O-N 3.32Å |
| 78 | F | 42.8 | Very low | 40.6 | Very low | 173 Ų | 173 | 139.7 Ų | 139.7 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | | | trans | -62.1 | 104.3 | 170.9 | -70.8 | -78.6 | 0 | 0 | 0 | 107.7 | V76 R80 | V76-F78 HydrophobicContact CB-CD2 4.08Å; V76-F78 HydrophobicContact CB-CE2 3.66Å; V76-F78 HydrophobicContact CB-CZ 3.99Å; V76-F78 HydrophobicContact CG1-CD1 3.91Å; V76-F78 HydrophobicContact CG1-CD2 3.75Å; V76-F78 HydrophobicContact CG1-CE1 3.63Å; V76-F78 HydrophobicContact CG1-CE2 3.47Å; V76-F78 VanDerWaalsContact CG1-CE2 3.47Å; V76-F78 HydrophobicContact CG1-CG 3.98Å; V76-F78 HydrophobicContact CG1-CZ 3.41Å; V76-F78 VanDerWaalsContact CG1-CZ 3.41Å; V76-F78 WeakPolarHBondContact O-CD2 3.4Å; V76-F78 PolarHBondContact O-N 2.96Å; F78-R80 PolarHBondContact O-N 2.89Å; F78-R80 VanDerWaalsContact O-N 3.08Å |
| 79 | A | 39.3 | Very low | 40.3 | Very low | 91 Ų | 91 | 138.8 Ų | 138.8 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | | | trans | -53.7 | 117.3 | 169.3 | 0 | 0 | 0 | 0 | 0 | 107.7 | L77 S81 | L77-A79 PolarHBondContact O-N 3.32Å; A79-S81 PolarHBondContact O-N 2.94Å |
| 80 | R | 37.7 | Very low | 39.6 | Very low | 239 Ų | 239 | 139.9 Ų | 139.9 | 90% | 0.902 | 76% | 0.761 | S | S | * | * | | | trans | -59.6 | 84.4 | 175.9 | -79.2 | 172.4 | 144.9 | 164.5 | -6.4 | 109.5 | F78 N82 | F78-R80 PolarHBondContact O-N 2.89Å; F78-R80 VanDerWaalsContact O-N 3.08Å; R80-N82 PolarHBondContact O-N 2.93Å |
| 81 | S | 37.5 | Very low | 38.8 | Very low | 81 Ų | 81 | 133.7 Ų | 133.7 | 57% | 0.566 | 75% | 0.748 | S | S | * | * | | | trans | -75.6 | 112.7 | 167.9 | 66.2 | 0 | 0 | 0 | 0 | 107.6 | A79 H83 | A79-S81 PolarHBondContact O-N 2.94Å; S81-H83 PolarHBondContact O-N 3.21Å; S81-H83 PolarHBondContact OG-CD2 2.94Å |
| 82 | N | 34.5 | Very low | 37.9 | Very low | 159 Ų | 159 | 136.1 Ų | 136.1 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | | | trans | -68.9 | 70.9 | 172.4 | -69.7 | -36 | 0 | 0 | 0 | 109.9 | R80 | R80-N82 PolarHBondContact O-N 2.93Š|
| 83 | H | 34.6 | Very low | 37.4 | Very low | 137 Ų | 137 | 134.1 Ų | 134.1 | 63% | 0.634 | 75% | 0.752 | S | S | * | * | | | trans | -97 | 97.8 | 166.8 | -68.4 | -52 | 0 | 0 | 0 | 107.8 | S81 Y85 | S81-H83 PolarHBondContact O-N 3.21Å; S81-H83 PolarHBondContact OG-CD2 2.94Å; H83-Y85 HydrophobicContact CB-CD2 4.2Å; H83-Y85 HydrophobicContact CB-CE2 3.99Å; H83-Y85 PolarHBondContact O-N 3.41Å |
| 84 | H | 35.9 | Very low | 36.7 | Very low | 195 Ų | 195 | 137.4 Ų | 137.4 | 90% | 0.903 | 75% | 0.752 | S | S | * | * | | | trans | -63 | 86 | 169.5 | -134.7 | 58.4 | 0 | 0 | 0 | 108 | | |
| 85 | Y | 39.8 | Very low | 36.5 | Very low | 201 Ų | 201 | 147 Ų | 147 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | | | trans | -74.3 | 125 | 164.6 | -81.4 | -87.5 | 0 | 0 | 0 | 107.4 | H83 S87 | H83-Y85 HydrophobicContact CB-CD2 4.2Å; H83-Y85 HydrophobicContact CB-CE2 3.99Å; H83-Y85 PolarHBondContact O-N 3.41Å; Y85-S87 PolarHBondContact O-N 3.35Å |
| 86 | P | 37.3 | Very low | 36.1 | Very low | 115 Ų | 115 | 149.4 Ų | 149.4 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | | | trans | -64.7 | 101.9 | 170.8 | 25.7 | -30.5 | 0 | 0 | 0 | 107.7 | T88 | P86-T88 PolarHBondContact O-N 3.24Š|
| 87 | S | 40.7 | Very low | 35.4 | Very low | 99 Ų | 99 | 149.2 Ų | 149.2 | 69% | 0.692 | 78% | 0.784 | S | S | * | * | | | trans | -66.7 | 100.7 | 174.3 | -157.6 | 0 | 0 | 0 | 0 | 107.6 | Y85 T89 | Y85-S87 PolarHBondContact O-N 3.35Å; S87-T89 PolarHBondContact O-N 2.92Å; S87-T89 PolarHBondContact OG-OG1 3.23Å |
| 88 | T | 38.7 | Very low | 34.8 | Very low | 137 Ų | 137 | 150.5 Ų | 150.5 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -73.3 | 66.9 | 163.3 | 48.4 | 0 | 0 | 0 | 0 | 108.4 | P86 | P86-T88 PolarHBondContact O-N 3.24Š|
| 89 | T | 41.6 | Very low | 34.4 | Very low | 106 Ų | 106 | 147.3 Ų | 147.3 | 65% | 0.65 | 79% | 0.785 | S | S | * | * | | | trans | -92.3 | 90.8 | 161.8 | -48.5 | 0 | 0 | 0 | 0 | 105.2 | S87 G91 | S87-T89 PolarHBondContact O-N 2.92Å; S87-T89 PolarHBondContact OG-OG1 3.23Å; T89-G91 PolarHBondContact O-N 3.12Å; T89-G91 VanDerWaalsContact O-N 3.11Å |
| 90 | M | 35.6 | Very low | 33.9 | Very low | 184 Ų | 184 | 146.3 Ų | 146.3 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | | | trans | -57.2 | 117.7 | 161.2 | -80.8 | -163.6 | -62.9 | 0 | 0 | 106.9 | | |
| 91 | G | 28.9 | Very low | 33.5 | Very low | 61 Ų | 61 | 142 Ų | 142 | 63% | 0.629 | 78% | 0.778 | S | S | * | * | | | trans | -64.4 | 150.7 | -167.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | T89 | T89-G91 PolarHBondContact O-N 3.12Å; T89-G91 VanDerWaalsContact O-N 3.11Å |
| 92 | V | 30.5 | Very low | 33.2 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | | | trans | -123.5 | 92.3 | 140.1 | -170.9 | 0 | 0 | 0 | 0 | 106.2 | R94 | V92-R94 PolarHBondContact O-N 3.3Š|
| 93 | S | 29.1 | Very low | 32.9 | Very low | 116 Ų | 116 | 141.4 Ų | 141.4 | 81% | 0.811 | 79% | 0.786 | S | S | * | * | | | trans | -61.1 | 112.6 | 168.4 | -79.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 94 | R | 30.4 | Very low | 32.7 | Very low | 231 Ų | 231 | 144 Ų | 144 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | | | trans | -127.8 | 97.1 | 145.1 | -75.7 | -167.4 | -178.4 | -168.6 | 1.9 | 108.2 | V92 L96 | V92-R94 PolarHBondContact O-N 3.3Å; R94-L96 PolarHBondContact O-N 3.46Å |
| 95 | R | 28.9 | Very low | 32.4 | Very low | 244 Ų | 244 | 140.2 Ų | 140.2 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | | | trans | -52.4 | 113.7 | 163.9 | -80 | 179.9 | 172 | -166.2 | -2 | 108.6 | | |
| 96 | L | 30.7 | Very low | 31.9 | Very low | 168 Ų | 168 | 134.3 Ų | 134.3 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | | | trans | -127.5 | 95.7 | 150.7 | -81.7 | 164.4 | 0 | 0 | 0 | 106.1 | R94 | R94-L96 PolarHBondContact O-N 3.46Š|
| 97 | S | 28.6 | Very low | 31.6 | Very low | 96 Ų | 96 | 132.8 Ų | 132.8 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | | | trans | -63.2 | 154.3 | 163.1 | 63 | 0 | 0 | 0 | 0 | 109.4 | | |
| 98 | Q | 28.6 | Very low | 31.1 | Very low | 188 Ų | 188 | 136.7 Ų | 136.7 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | | | trans | 96.9 | 82.6 | 164.9 | -57.7 | 174.2 | -3.3 | 0 | 0 | 116 | | |
| 99 | S | 34 | Very low | 30.7 | Very low | 107 Ų | 107 | 135.3 Ų | 135.3 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | | -115.4 | 136.4 | 114.6 | 50.3 | 0 | 0 | 0 | 0 | 106 | | |
| 100 | G | 28.3 | Very low | 30 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 80% | 0.803 | S | S | * | * | | | cis | 61.9 | 61.1 | 6.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 101 | D | 29.3 | Very low | 29.7 | Very low | 147 Ų | 147 | 134.6 Ų | 134.6 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | S | Bend | trans | 34.3 | 105.7 | 157.6 | -57.2 | -22.3 | 0 | 0 | 0 | 118.6 | | |
| 102 | S | 32.1 | Very low | 29.9 | Very low | 108 Ų | 108 | 140.4 Ų | 140.4 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | | | trans | 18 | 108 | 137.5 | 60.2 | 0 | 0 | 0 | 0 | 117.8 | | |
| 103 | S | 28 | Very low | 30.1 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | | -160 | 127.5 | 123.5 | 45.1 | 0 | 0 | 0 | 0 | 111.1 | | |
| 104 | F | 29.2 | Very low | 30.3 | Very low | 192 Ų | 192 | 142.1 Ų | 142.1 | 84% | 0.842 | 81% | 0.805 | S | S | * | * | | | trans | -64.7 | 149.7 | 171.2 | -165 | -117.5 | 0 | 0 | 0 | 109.4 | | |
| 105 | V | 29.8 | Very low | 30.5 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 70% | 0.703 | 81% | 0.806 | S | S | * | * | | | trans | 85.1 | 93.4 | 163.6 | -158 | 0 | 0 | 0 | 0 | 118.3 | | |
| 106 | G | 29.4 | Very low | 30.8 | Very low | 76 Ų | 76 | 136.1 Ų | 136.1 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | | | trans | -143.6 | 78.6 | 145.3 | 0 | 0 | 0 | 0 | 0 | 107 | | |
| 107 | A | 31.6 | Very low | 31.2 | Very low | 84 Ų | 84 | 134.9 Ų | 134.9 | 69% | 0.694 | 79% | 0.788 | S | S | * | * | | | | 58.7 | 104.3 | 88.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 108 | L | 28.8 | Very low | 31.7 | Very low | 180 Ų | 180 | 135.8 Ų | 135.8 | 94% | 0.942 | 79% | 0.789 | S | S | * | * | | | trans | -13.8 | 125.2 | 162 | -74.6 | 79 | 0 | 0 | 0 | 116 | | |
| 109 | A | 30.6 | Very low | 32 | Very low | 108 Ų | 108 | 134.9 Ų | 134.9 | 89% | 0.893 | 78% | 0.777 | S | S | * | * | | | trans | -177.2 | 94.8 | 135.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | | |
| 110 | G | 27.9 | Very low | 32.3 | Very low | 73 Ų | 73 | 140.5 Ų | 140.5 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | | | trans | 164.1 | 86.9 | 167.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 111 | K | 29.8 | Very low | 32.8 | Very low | 202 Ų | 202 | 146.6 Ų | 146.6 | 88% | 0.878 | 79% | 0.792 | S | S | * | * | | | trans | 50.5 | 111.2 | 147 | -76.5 | 175.1 | 173.5 | 173.1 | 0 | 118.4 | | |
| 112 | K | 32.4 | Very low | 33.3 | Very low | 184 Ų | 184 | 142.1 Ų | 142.1 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | S | Bend | trans | 64.2 | 110.9 | 144.4 | -74.8 | -176.1 | 172.7 | -176.3 | 0 | 116.7 | | |
| 113 | D | 33.8 | Very low | 33.9 | Very low | 135 Ų | 135 | 143 Ų | 143 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | | | trans | 77.4 | 33.8 | 143.5 | -49 | -33.6 | 0 | 0 | 0 | 119.4 | | |
| 114 | D | 34.4 | Very low | 34.5 | Very low | 155 Ų | 155 | 142.9 Ų | 142.9 | 83% | 0.829 | 78% | 0.783 | S | S | * | * | | | trans | -124.5 | 96.3 | 160.5 | -76.8 | -38 | 0 | 0 | 0 | 110.9 | V116 | D114-V116 PolarHBondContact O-N 3.27Š|
| 115 | Y | 33.1 | Very low | 35 | Very low | 224 Ų | 224 | 137.6 Ų | 137.6 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | | | trans | -62.2 | 104.5 | 166.4 | -72.1 | -93.8 | 0 | 0 | 0 | 108.5 | Q117 | Y115-Q117 VanDerWaalsContact C-N 3.28Å; Y115-Q117 PolarHBondContact O-N 3.13Å |
| 116 | V | 36.8 | Very low | 35.3 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | | | trans | -70.1 | 91.6 | 168.4 | -176.8 | 0 | 0 | 0 | 0 | 107.7 | D114 V118 | D114-V116 PolarHBondContact O-N 3.27Å; V116-V118 VanDerWaalsContact C-N 3.3Å; V116-V118 HydrophobicContact CG1-CG2 3.82Å; V116-V118 PolarHBondContact O-N 3.13Å |
| 117 | Q | 37.5 | Very low | 35.9 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | | | trans | -71.2 | 86.5 | 173.6 | -172 | 173.5 | 36.4 | 0 | 0 | 109 | Y115 R119 | Y115-Q117 VanDerWaalsContact C-N 3.28Å; Y115-Q117 PolarHBondContact O-N 3.13Å; Q117-R119 HydrophobicContact CG-CG 4Å; Q117-R119 PolarHBondContact O-N 2.92Å |
| 118 | V | 39.3 | Very low | 36.4 | Very low | 115 Ų | 115 | 138 Ų | 138 | 70% | 0.697 | 77% | 0.77 | S | S | * | * | | | trans | -74.7 | 80.1 | 170.4 | -172.8 | 0 | 0 | 0 | 0 | 108.4 | V116 R120 | V116-V118 VanDerWaalsContact C-N 3.3Å; V116-V118 HydrophobicContact CG1-CG2 3.82Å; V116-V118 PolarHBondContact O-N 3.13Å; V118-R120 PolarHBondContact O-N 2.88Å |
| 119 | R | 36.4 | Very low | 37.2 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 63% | 0.634 | 75% | 0.752 | S | S | * | * | | | trans | -85.3 | 99.6 | 168.1 | -91.7 | -177 | 155.8 | -171.2 | -5.4 | 108.5 | Q117 E121 | Q117-R119 HydrophobicContact CG-CG 4Å; Q117-R119 PolarHBondContact O-N 2.92Å; R119-E121 PolarHBondContact O-N 3.03Å |
| 120 | R | 40.3 | Very low | 37.9 | Very low | 226 Ų | 226 | 136.4 Ų | 136.4 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | | | trans | -66.1 | 115.3 | 162.8 | -70.8 | -159.4 | 175.1 | -162.1 | 0.4 | 107.9 | V118 G122 | V118-R120 PolarHBondContact O-N 2.88Å; R120-G122 PolarHBondContact O-N 3.44Å |
| 121 | E | 37.5 | Very low | 38.7 | Very low | 197 Ų | 197 | 138.5 Ų | 138.5 | 92% | 0.921 | 74% | 0.742 | S | S | * | * | | | trans | -68.2 | 82.3 | 169.4 | -63.8 | -170.1 | 163 | 0 | 0 | 108.6 | R119 | R119-E121 PolarHBondContact O-N 3.03Š|
| 122 | G | 40.7 | Very low | 39.4 | Very low | 54 Ų | 54 | 134.3 Ų | 134.3 | 56% | 0.557 | 73% | 0.728 | S | S | * | * | | | trans | -67.2 | 151.5 | 156.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | R120 S124 | R120-G122 PolarHBondContact O-N 3.44Å; G122-S124 PolarHBondContact O-N 3.41Å |
| 123 | P | 43.7 | Very low | 39.7 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 83% | 0.825 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -56.7 | 115.5 | -173.8 | 23 | -32.3 | 0 | 0 | 0 | 110.6 | | |
| 124 | S | 40.5 | Very low | 40.2 | Very low | 117 Ų | 117 | 128.5 Ų | 128.5 | 82% | 0.818 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 27.9 | 101.9 | 159.8 | 60.2 | 0 | 0 | 0 | 0 | 117 | G122 | G122-S124 PolarHBondContact O-N 3.41Š|
| 125 | G | 39.7 | Very low | 40.5 | Very low | 81 Ų | 81 | 125.6 Ų | 125.6 | 84% | 0.835 | 71% | 0.706 | S | S | * | * | S | Bend | trans | 117.9 | -9 | 136.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 126 | V | 37.5 | Very low | 41.1 | Very low | 133 Ų | 133 | 120.4 Ų | 120.4 | 81% | 0.806 | 69% | 0.693 | S | S | * | * | | | trans | -105.9 | 98.2 | 171.7 | -168 | 0 | 0 | 0 | 0 | 108.2 | P128 | V126-P128 WeakPolarHBondContact O-CD 3.47Š|
| 127 | A | 41.1 | Very low | 41.6 | Very low | 70 Ų | 70 | 119.1 Ų | 119.1 | 58% | 0.579 | 69% | 0.685 | S | S | * | * | | | trans | -53.4 | 123.5 | 166.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | A129 | A127-A129 PolarHBondContact O-N 3.26Š|
| 128 | P | 41.6 | Very low | 41.9 | Very low | 80 Ų | 80 | 123 Ų | 123 | 52% | 0.519 | 69% | 0.693 | S | S | . | * | | | trans | -58.3 | 115.5 | -179.5 | 20.1 | -29.7 | 0 | 0 | 0 | 108.2 | V126 F130 L131 | V126-P128 WeakPolarHBondContact O-CD 3.47Å; P128-F130 HydrophobicContact CB-CD2 4.44Å; P128-F130 PolarHBondContact O-N 3.13Å; P128-L131 PolarHBondContact O-N 3.34Å; P128-L131 VanDerWaalsContact O-N 3.17Å |
| 129 | A | 46.9 | Very low | 42.1 | Very low | 69 Ų | 69 | 122.7 Ų | 122.7 | 57% | 0.57 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | -7.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A127 L131 I132 L133 | A127-A129 PolarHBondContact O-N 3.26Å; A129-L131 PolarHBondContact O-N 3.44Å; A129-I132 PolarHBondContact O-N 3.32Å; A129-I132 VanDerWaalsContact O-N 3.13Å; A129-L133 PolarHBondContact O-N 3.39Å |
| 130 | F | 45.9 | Very low | 42.5 | Very low | 187 Ų | 187 | 118.9 Ų | 118.9 | 82% | 0.82 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -59.9 | -25 | 171.8 | -70.4 | -76.3 | 0 | 0 | 0 | 114 | P128 | P128-F130 HydrophobicContact CB-CD2 4.44Å; P128-F130 PolarHBondContact O-N 3.13Å |
| 131 | L | 43.2 | Very low | 42.5 | Very low | 117 Ų | 117 | 113.6 Ų | 113.6 | 61% | 0.613 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -80.2 | -21.6 | 174.7 | -90 | 163.6 | 0 | 0 | 0 | 113.9 | P128 A129 | P128-L131 PolarHBondContact O-N 3.34Å; P128-L131 VanDerWaalsContact O-N 3.17Å; A129-L131 PolarHBondContact O-N 3.44Å |
| 132 | I | 44.3 | Very low | 42.8 | Very low | 114 Ų | 114 | 109.7 Ų | 109.7 | 59% | 0.585 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -82.1 | -34.2 | -179.4 | -58.6 | 179.2 | 0 | 0 | 0 | 110.5 | A129 A134 S135 I136 | A129-I132 PolarHBondContact O-N 3.32Å; A129-I132 VanDerWaalsContact O-N 3.13Å; I132-A134 PolarHBondContact O-N 3.07Å; I132-S135 PolarHBondContact O-N 3.37Å; I132-I136 HydrophobicContact CG2-CD1 4.43Å |
| 133 | L | 39.8 | Very low | 42.7 | Very low | 125 Ų | 125 | 116.9 Ų | 116.9 | 65% | 0.654 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -68.6 | -33.3 | -177.6 | -143 | 81.6 | 0 | 0 | 0 | 113.2 | A129 S135 I136 | A129-L133 PolarHBondContact O-N 3.39Å; L133-S135 PolarHBondContact O-N 3.22Å; L133-I136 PolarHBondContact O-N 3.1Å |
| 134 | A | 43.7 | Very low | 42.7 | Very low | 71 Ų | 71 | 116.4 Ų | 116.4 | 59% | 0.587 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -68.4 | -24 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I132 | I132-A134 PolarHBondContact O-N 3.07Å |
| 135 | S | 42.2 | Very low | 42.8 | Very low | 94 Ų | 94 | 116.4 Ų | 116.4 | 66% | 0.657 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -80.2 | -30.1 | -179.5 | -152.3 | 0 | 0 | 0 | 0 | 112.4 | I132 L133 | I132-S135 PolarHBondContact O-N 3.37Å; L133-S135 PolarHBondContact O-N 3.22Å |
| 136 | I | 44.5 | Very low | 42.9 | Very low | 116 Ų | 116 | 118.3 Ų | 118.3 | 60% | 0.595 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -78.5 | -37.1 | -178.5 | -60.3 | 174.1 | 0 | 0 | 0 | 111.5 | I132 L133 R138 S139 | I132-I136 HydrophobicContact CG2-CD1 4.43Å; L133-I136 PolarHBondContact O-N 3.1Å; I136-R138 VanDerWaalsContact C-N 3.28Å; I136-R138 PolarHBondContact O-N 3.35Å; I136-S139 PolarHBondContact O-N 3.08Å |
| 137 | V | 46.8 | Very low | 43.3 | Very low | 99 Ų | 99 | 117.5 Ų | 117.5 | 60% | 0.6 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -68.5 | -27.7 | -177.2 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | S139 | V137-S139 VanDerWaalsContact C-N 3.31Å; V137-S139 PolarHBondContact O-N 3.06Å |
| 138 | R | 44.1 | Very low | 43.4 | Very low | 222 Ų | 222 | 120.4 Ų | 120.4 | 84% | 0.838 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -16.3 | -178.4 | -154.7 | 170 | -162.1 | 150.2 | 4.4 | 114.5 | I136 | I136-R138 VanDerWaalsContact C-N 3.28Å; I136-R138 PolarHBondContact O-N 3.35Å |
| 139 | S | 43.6 | Very low | 43.5 | Very low | 110 Ų | 110 | 123.1 Ų | 123.1 | 77% | 0.769 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -5.7 | -180 | -163.6 | 0 | 0 | 0 | 0 | 114.2 | I136 V137 | I136-S139 PolarHBondContact O-N 3.08Å; V137-S139 VanDerWaalsContact C-N 3.31Å; V137-S139 PolarHBondContact O-N 3.06Å |
| 140 | A | 45.5 | Very low | 43.3 | Very low | 88 Ų | 88 | 127 Ų | 127 | 73% | 0.727 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -96.5 | -3.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 141 | T | 40.7 | Very low | 43.1 | Very low | 114 Ų | 114 | 122.4 Ų | 122.4 | 70% | 0.699 | 72% | 0.722 | S | S | * | * | | | trans | -128.3 | 67.2 | -179.4 | 59.9 | 0 | 0 | 0 | 0 | 111.4 | | |
| 142 | S | 42.6 | Very low | 43.1 | Very low | 115 Ų | 115 | 122.8 Ų | 122.8 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | | | trans | -141.5 | 92.6 | 147 | -167.1 | 0 | 0 | 0 | 0 | 106.9 | | |
| 143 | T | 39.1 | Very low | 43 | Very low | 206 Ų | 206 | 123.6 Ų | 123.6 | 100% | 1.264 | 75% | 0.745 | S | S | * | * | | | trans | -45.3 | 0 | 147.8 | 47.3 | 0 | 0 | 0 | 0 | 111.5 | | |