| 1 | M | 56.6 | Low | 64.7 | Low | 205 Ų | 205 | 131.7 Ų | 131.7 | 100% | 1.01 | 67% | 0.671 | S | S | * | * | | | | 0 | -67.3 | 0 | -64.6 | -178.4 | -177.2 | 0 | 0 | 111.9 | T3 M4 | M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.05Å; M1-T3 VanDerWaalsContact O-N 3.13Å; M1-M4 PolarHBondContact O-N 3.27Å |
| 2 | K | 52.2 | Low | 64.1 | Low | 188 Ų | 188 | 125.5 Ų | 125.5 | 82% | 0.817 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -49.6 | -40.2 | -178.2 | -66.2 | -177.8 | 165.4 | 105.3 | 0 | 115 | L5 L6 | K2-L5 PolarHBondContact O-N 3.47Å; K2-L6 PolarHBondContact O-N 2.87Å |
| 3 | T | 64.9 | Low | 63.3 | Low | 108 Ų | 108 | 122.9 Ų | 122.9 | 66% | 0.663 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.5 | -32.9 | 178.4 | 44.6 | 0 | 0 | 0 | 0 | 114.6 | M1 L7 | M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.05Å; M1-T3 VanDerWaalsContact O-N 3.13Å; T3-L7 PolarHBondContact O-N 3.1Å; T3-L7 VanDerWaalsContact O-N 3.14Å |
| 4 | M | 64.7 | Low | 62.6 | Low | 125 Ų | 125 | 122.1 Ų | 122.1 | 62% | 0.616 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -71.4 | -35.1 | 178.6 | -66.1 | -110.3 | 71.2 | 0 | 0 | 111.6 | M1 L7 F8 | M1-M4 PolarHBondContact O-N 3.27Å; M4-L7 HydrophobicContact CE-CD2 4.04Å; M4-L7 PolarHBondContact O-N 3.41Å; M4-F8 WeakPolarHBondContact O-CB 3.17Å; M4-F8 PolarHBondContact O-N 2.97Å |
| 5 | L | 69.9 | Low | 62.3 | Low | 119 Ų | 119 | 126.3 Ų | 126.3 | 62% | 0.623 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -65.3 | -46.3 | 176.7 | -170.8 | 68.6 | 0 | 0 | 0 | 111 | K2 L7 F8 C9 | K2-L5 PolarHBondContact O-N 3.47Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 2.87Å; L5-F8 PolarHBondContact O-N 3.34Å; L5-C9 PolarHBondContact O-N 3.37Å; L5-C9 PolarHBondContact O-SG 3.49Å |
| 6 | L | 70.4 | Confident | 61.9 | Low | 117 Ų | 117 | 124.9 Ų | 124.9 | 61% | 0.613 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -59.8 | -41.7 | 175.4 | -72.9 | 166.8 | 0 | 0 | 0 | 112.3 | K2 C9 L10 | K2-L6 PolarHBondContact O-N 2.87Å; L6-C9 PolarHBondContact O-N 2.79Å; L6-L10 PolarHBondContact O-N 2.87Å |
| 7 | L | 69.3 | Low | 60.7 | Low | 107 Ų | 107 | 126.8 Ų | 126.8 | 56% | 0.56 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -64.5 | -40.5 | 176.7 | -173.3 | 64 | 0 | 0 | 0 | 111.9 | T3 M4 L5 L10 L11 | T3-L7 PolarHBondContact O-N 3.1Å; T3-L7 VanDerWaalsContact O-N 3.14Å; M4-L7 HydrophobicContact CE-CD2 4.04Å; M4-L7 PolarHBondContact O-N 3.41Å; L5-L7 VanDerWaalsContact C-N 3.33Å; L5-L7 PolarHBondContact O-N 2.87Å; L7-L10 PolarHBondContact O-N 3.47Å; L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 PolarHBondContact O-N 3.14Å |
| 8 | F | 65.9 | Low | 60.1 | Low | 161 Ų | 161 | 125.4 Ų | 125.4 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -65.9 | -42 | 176.1 | -167.7 | -97.2 | 0 | 0 | 0 | 112.1 | M4 L5 L11 G12 | M4-F8 WeakPolarHBondContact O-CB 3.17Å; M4-F8 PolarHBondContact O-N 2.97Å; L5-F8 PolarHBondContact O-N 3.34Å; F8-L11 PolarHBondContact O-N 2.78Å; F8-G12 PolarHBondContact O-N 2.93Å |
| 9 | C | 63.8 | Low | 59.4 | Low | 68 Ų | 68 | 127.1 Ų | 127.1 | 46% | 0.459 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -62.5 | -41.8 | 174.8 | -68.5 | 0 | 0 | 0 | 0 | 112.8 | L5 L6 S13 | L5-C9 PolarHBondContact O-N 3.37Å; L5-C9 PolarHBondContact O-SG 3.49Å; L6-C9 PolarHBondContact O-N 2.79Å; C9-S13 PolarHBondContact O-N 3.19Å; C9-S13 PolarHBondContact O-OG 2.79Å |
| 10 | L | 65.8 | Low | 58.9 | Low | 127 Ų | 127 | 128.9 Ų | 128.9 | 67% | 0.665 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -65.6 | -45 | 175.1 | -107.5 | 68 | 0 | 0 | 0 | 111.8 | L6 L7 G12 S13 | L6-L10 PolarHBondContact O-N 2.87Å; L7-L10 PolarHBondContact O-N 3.47Å; L10-G12 PolarHBondContact O-N 2.84Å; L10-S13 PolarHBondContact O-N 3.01Å |
| 11 | L | 68.1 | Low | 58.4 | Low | 124 Ų | 124 | 130.4 Ų | 130.4 | 65% | 0.649 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -64.9 | -42.2 | -177.7 | -167.5 | 62.3 | 0 | 0 | 0 | 111.6 | L7 F8 S13 T14 | L7-L11 WeakPolarHBondContact O-CB 3.48Å; L7-L11 PolarHBondContact O-N 3.14Å; F8-L11 PolarHBondContact O-N 2.78Å; L11-S13 PolarHBondContact O-N 3.09Å; L11-T14 PolarHBondContact O-N 3.22Å; L11-T14 PolarHBondContact O-OG1 3Å |
| 12 | G | 57.2 | Low | 57.8 | Low | 57 Ų | 57 | 126.8 Ų | 126.8 | 59% | 0.588 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -65.1 | -21.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | F8 L10 T14 | F8-G12 PolarHBondContact O-N 2.93Å; L10-G12 PolarHBondContact O-N 2.84Å; G12-T14 PolarHBondContact O-N 2.74Å |
| 13 | S | 54.7 | Low | 57.3 | Low | 92 Ų | 92 | 122.3 Ų | 122.3 | 64% | 0.643 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.5 | -2.7 | -179.5 | -63.3 | 0 | 0 | 0 | 0 | 113.9 | C9 L10 L11 | C9-S13 PolarHBondContact O-N 3.19Å; C9-S13 PolarHBondContact O-OG 2.79Å; L10-S13 PolarHBondContact O-N 3.01Å; L11-S13 PolarHBondContact O-N 3.09Å |
| 14 | T | 53.3 | Low | 56.8 | Low | 111 Ų | 111 | 126 Ų | 126 | 68% | 0.681 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.8 | -9.9 | -178.3 | 60.5 | 0 | 0 | 0 | 0 | 114.6 | L11 G12 | L11-T14 PolarHBondContact O-N 3.22Å; L11-T14 PolarHBondContact O-OG1 3Å; G12-T14 PolarHBondContact O-N 2.74Å |
| 15 | Q | 57.9 | Low | 55.8 | Low | 186 Ų | 186 | 122.9 Ų | 122.9 | 87% | 0.869 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -96.5 | 9.5 | -169.2 | -165.4 | 146.5 | 43.8 | 0 | 0 | 115.8 | | |
| 16 | S | 56.2 | Low | 54.8 | Low | 104 Ų | 104 | 125.5 Ų | 125.5 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | trans | -144.2 | 60.3 | 175.1 | 60.9 | 0 | 0 | 0 | 0 | 114.6 | P18 | S16-P18 WeakPolarHBondContact O-CD 3.47Š|
| 17 | L | 41.4 | Very low | 53.8 | Low | 156 Ų | 156 | 125.3 Ų | 125.3 | 82% | 0.817 | 72% | 0.723 | S | S | * | * | | | trans | -100.7 | 105.8 | 156 | -167.9 | 71.1 | 0 | 0 | 0 | 109.4 | Q19 | L17-Q19 PolarHBondContact O-N 3.04Å; L17-Q19 VanDerWaalsContact O-N 3.12Å |
| 18 | P | 49.1 | Very low | 52.8 | Low | 103 Ų | 103 | 126.4 Ų | 126.4 | 67% | 0.669 | 74% | 0.736 | S | S | * | * | | | trans | -61.2 | 116.6 | 167 | -17.5 | 30.9 | 0 | 0 | 0 | 108.2 | S16 L20 | S16-P18 WeakPolarHBondContact O-CD 3.47Å; P18-L20 VanDerWaalsContact C-N 3.32Å; P18-L20 PolarHBondContact O-N 2.92Å |
| 19 | Q | 47.6 | Very low | 51.8 | Low | 157 Ų | 157 | 125.5 Ų | 125.5 | 73% | 0.734 | 74% | 0.744 | S | S | * | * | | | trans | -67.8 | 90.1 | 179 | -173.9 | -174.9 | 58.7 | 0 | 0 | 109.5 | L17 K21 | L17-Q19 PolarHBondContact O-N 3.04Å; L17-Q19 VanDerWaalsContact O-N 3.12Å; Q19-K21 VanDerWaalsContact C-N 3.26Å; Q19-K21 HydrophobicContact CG-CG 4.36Å; Q19-K21 PolarHBondContact O-N 2.76Å |
| 20 | L | 49.8 | Very low | 50.8 | Low | 163 Ų | 163 | 131 Ų | 131 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | | | trans | -66 | 85.7 | 170.8 | -74.9 | 171 | 0 | 0 | 0 | 109.3 | P18 P22 | P18-L20 VanDerWaalsContact C-N 3.32Å; P18-L20 PolarHBondContact O-N 2.92Å; L20-P22 VanDerWaalsContact O-CD 3.25Å; L20-P22 WeakPolarHBondContact O-CD 3.26Å |
| 21 | K | 47.5 | Very low | 49.3 | Very low | 160 Ų | 160 | 133.2 Ų | 133.2 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | | | trans | -66 | 120 | 165.3 | -74.1 | -177.5 | 177.2 | 176.9 | 0 | 108.3 | Q19 A23 | Q19-K21 VanDerWaalsContact C-N 3.26Å; Q19-K21 HydrophobicContact CG-CG 4.36Å; Q19-K21 PolarHBondContact O-N 2.76Å; K21-A23 VanDerWaalsContact C-N 3.29Å; K21-A23 PolarHBondContact O-N 3.2Å |
| 22 | P | 44.8 | Very low | 47.8 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | | | trans | -72.4 | 88.5 | 169.8 | -13.6 | 31 | 0 | 0 | 0 | 108.6 | L20 L24 | L20-P22 VanDerWaalsContact O-CD 3.25Å; L20-P22 WeakPolarHBondContact O-CD 3.26Å; P22-L24 VanDerWaalsContact C-N 3.34Å; P22-L24 PolarHBondContact O-N 3.22Å |
| 23 | A | 41.8 | Very low | 47.6 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | -74.1 | 89.4 | 175 | 0 | 0 | 0 | 0 | 0 | 109.5 | K21 G25 | K21-A23 VanDerWaalsContact C-N 3.29Å; K21-A23 PolarHBondContact O-N 3.2Å; A23-G25 PolarHBondContact O-N 3Å; A23-G25 VanDerWaalsContact O-N 3.11Å |
| 24 | L | 53.4 | Low | 46.7 | Very low | 184 Ų | 184 | 137 Ų | 137 | 96% | 0.963 | 79% | 0.79 | S | S | * | * | | | trans | -62.4 | 104.8 | 169.2 | 177.1 | 67.5 | 0 | 0 | 0 | 109.6 | P22 | P22-L24 VanDerWaalsContact C-N 3.34Å; P22-L24 PolarHBondContact O-N 3.22Å |
| 25 | G | 44.1 | Very low | 46.4 | Very low | 61 Ų | 61 | 140 Ų | 140 | 63% | 0.629 | 80% | 0.796 | S | S | * | * | | | trans | 153.9 | 100 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | A23 P27 | A23-G25 PolarHBondContact O-N 3Å; A23-G25 VanDerWaalsContact O-N 3.11Å; G25-P27 WeakPolarHBondContact O-CD 3.25Å |
| 26 | L | 49 | Very low | 45.3 | Very low | 174 Ų | 174 | 134.4 Ų | 134.4 | 91% | 0.911 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 121 | 165 | -65.7 | 171.9 | 0 | 0 | 0 | 109.1 | | |
| 27 | P | 50 | Low | 44.4 | Very low | 113 Ų | 113 | 136 Ų | 136 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 142.7 | 164.4 | 31.5 | -31.8 | 0 | 0 | 0 | 109.9 | G25 | G25-P27 WeakPolarHBondContact O-CD 3.25Š|
| 28 | P | 48.6 | Very low | 44.5 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 84% | 0.838 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 150.1 | -176.9 | 30 | -35.2 | 0 | 0 | 0 | 112.8 | | |
| 29 | T | 42.8 | Very low | 44.1 | Very low | 142 Ų | 142 | 136.6 Ų | 136.6 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 147.2 | -178.1 | -45.1 | 0 | 0 | 0 | 0 | 113.4 | | |
| 30 | K | 44.6 | Very low | 44.1 | Very low | 185 Ų | 185 | 135 Ų | 135 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | 102.6 | 110 | 146.9 | -162.3 | -178.4 | -175.6 | -179 | 0 | 118.3 | | |
| 31 | L | 33.6 | Very low | 43.5 | Very low | 172 Ų | 172 | 136.1 Ų | 136.1 | 90% | 0.901 | 80% | 0.795 | S | S | * | * | | | | -167.4 | 159.5 | 120.1 | -103.1 | 159.9 | 0 | 0 | 0 | 110.2 | | |
| 32 | A | 36.9 | Very low | 43.2 | Very low | 85 Ų | 85 | 136.2 Ų | 136.2 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | | | trans | -115.6 | -169 | -175.9 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 33 | P | 53.2 | Low | 43 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | | -123.3 | 141.8 | -67.4 | 34.1 | -21.3 | 0 | 0 | 0 | 111.9 | | |
| 34 | D | 36.2 | Very low | 42.9 | Very low | 150 Ų | 150 | 138 Ų | 138 | 80% | 0.802 | 79% | 0.792 | S | S | * | * | | | trans | -160.5 | 154.4 | 154.1 | -150 | -126.9 | 0 | 0 | 0 | 115.2 | | |
| 35 | Q | 45.4 | Very low | 42.9 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | | | trans | 0.8 | 132.2 | 167.7 | -59.6 | -69.2 | -50.9 | 0 | 0 | 120.9 | | |
| 36 | G | 35.8 | Very low | 42.7 | Very low | 70 Ų | 70 | 139.6 Ų | 139.6 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | | | trans | 171.5 | 78.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 37 | T | 36.2 | Very low | 42.5 | Very low | 137 Ų | 137 | 137.5 Ų | 137.5 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | | | trans | 58.4 | 104.1 | 153.3 | -47.8 | 0 | 0 | 0 | 0 | 119.2 | | |
| 38 | L | 43.4 | Very low | 42.2 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | | | trans | -67.1 | 141 | 153.7 | -99.8 | 152 | 0 | 0 | 0 | 109.7 | | |
| 39 | P | 42.4 | Very low | 41.9 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | | | | -140 | 138.3 | 90.1 | 36.3 | -22.8 | 0 | 0 | 0 | 115.3 | Q41 | P39-Q41 PolarHBondContact O-N 3.16Š|
| 40 | N | 45.8 | Very low | 42 | Very low | 125 Ų | 125 | 138.4 Ų | 138.4 | 67% | 0.668 | 77% | 0.767 | S | S | * | * | | | trans | 46.8 | 68.2 | 140.5 | -149.6 | -41.7 | 0 | 0 | 0 | 117.5 | Q42 | N40-Q42 PolarHBondContact OD1-N 3.12Å; N40-Q42 VanDerWaalsContact OD1-N 3.16Å |
| 41 | Q | 38.9 | Very low | 42.2 | Very low | 185 Ų | 185 | 137.8 Ų | 137.8 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | -88.7 | 92.1 | 134.5 | -93.8 | -139.4 | 49.5 | 0 | 0 | 108.1 | P39 Q43 | P39-Q41 PolarHBondContact O-N 3.16Å; Q41-Q43 PolarHBondContact O-N 3.06Å |
| 42 | Q | 40.3 | Very low | 42.9 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | | | trans | -38.5 | 121.7 | 161.4 | -180 | 171.9 | -96.9 | 0 | 0 | 109.6 | N40 S44 | N40-Q42 PolarHBondContact OD1-N 3.12Å; N40-Q42 VanDerWaalsContact OD1-N 3.16Å; Q42-S44 PolarHBondContact O-N 3.12Å |
| 43 | Q | 41.7 | Very low | 43.6 | Very low | 151 Ų | 151 | 137.6 Ų | 137.6 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | | | trans | -51 | 125.9 | -173.5 | -66.2 | 162.7 | -90.9 | 0 | 0 | 110.4 | Q41 N45 | Q41-Q43 PolarHBondContact O-N 3.06Å; Q43-N45 HydrophobicContact CB-CB 4.42Å; Q43-N45 WeakPolarHBondContact CB-ND2 3.31Å; Q43-N45 PolarHBondContact NE2-ND2 3.41Å; Q43-N45 VanDerWaalsContact NE2-ND2 3.14Å; Q43-N45 PolarHBondContact O-N 3.4Å |
| 44 | S | 39.3 | Very low | 43.3 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | | | trans | -69.9 | 56.9 | 162.3 | 179.7 | 0 | 0 | 0 | 0 | 110.2 | Q42 Q46 | Q42-S44 PolarHBondContact O-N 3.12Å; S44-Q46 PolarHBondContact O-N 3.02Å |
| 45 | N | 52.2 | Low | 43.8 | Very low | 116 Ų | 116 | 133 Ų | 133 | 62% | 0.62 | 74% | 0.737 | S | S | * | * | | | trans | -74.7 | 56.7 | 164 | -74.6 | -29.6 | 0 | 0 | 0 | 109.2 | Q43 | Q43-N45 HydrophobicContact CB-CB 4.42Å; Q43-N45 WeakPolarHBondContact CB-ND2 3.31Å; Q43-N45 PolarHBondContact NE2-ND2 3.41Å; Q43-N45 VanDerWaalsContact NE2-ND2 3.14Å; Q43-N45 PolarHBondContact O-N 3.4Å |
| 46 | Q | 39.7 | Very low | 43.8 | Very low | 163 Ų | 163 | 132.3 Ų | 132.3 | 76% | 0.762 | 74% | 0.738 | S | S | * | * | | | trans | -106.6 | 88.7 | 151.3 | -69.9 | -144.7 | -5.6 | 0 | 0 | 106.9 | S44 F48 | S44-Q46 PolarHBondContact O-N 3.02Å; Q46-F48 PolarHBondContact O-N 3.21Å |
| 47 | V | 45 | Very low | 44.3 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 79% | 0.788 | 74% | 0.742 | S | S | * | * | | | trans | -49.1 | 111.4 | 155.9 | 179 | 0 | 0 | 0 | 0 | 105.9 | P49 | V47-P49 VanDerWaalsContact O-CD 3.25Å; V47-P49 WeakPolarHBondContact O-CD 3.46Å; V47-P49 VanDerWaalsContact O-N 3.09Å |
| 48 | F | 44.3 | Very low | 44.7 | Very low | 188 Ų | 188 | 135.2 Ų | 135.2 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | | | trans | -54.8 | 119.3 | 171.1 | -72.9 | -87.3 | 0 | 0 | 0 | 107.2 | Q46 S50 | Q46-F48 PolarHBondContact O-N 3.21Å; F48-S50 PolarHBondContact O-N 2.93Å |
| 49 | P | 41.7 | Very low | 44.5 | Very low | 115 Ų | 115 | 133.9 Ų | 133.9 | 75% | 0.747 | 72% | 0.724 | S | S | * | * | | | trans | -65 | 111.5 | 163.9 | 28.2 | -29.9 | 0 | 0 | 0 | 105.3 | V47 L51 | V47-P49 VanDerWaalsContact O-CD 3.25Å; V47-P49 WeakPolarHBondContact O-CD 3.46Å; V47-P49 VanDerWaalsContact O-N 3.09Å; P49-L51 PolarHBondContact O-N 2.93Å; P49-L51 VanDerWaalsContact O-N 3.12Å |
| 50 | S | 45.4 | Very low | 44.7 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | | | trans | -49.2 | 124.8 | 167.5 | -52.4 | 0 | 0 | 0 | 0 | 107.2 | F48 S52 | F48-S50 PolarHBondContact O-N 2.93Å; S50-S52 PolarHBondContact O-N 2.97Å |
| 51 | L | 48.8 | Very low | 44.7 | Very low | 172 Ų | 172 | 135 Ų | 135 | 90% | 0.901 | 73% | 0.728 | S | S | * | * | | | trans | -70.8 | 63.3 | 165.4 | -88.3 | 161.6 | 0 | 0 | 0 | 108.5 | P49 L53 | P49-L51 PolarHBondContact O-N 2.93Å; P49-L51 VanDerWaalsContact O-N 3.12Å; L51-L53 PolarHBondContact O-N 3.1Å |
| 52 | S | 47.3 | Very low | 44.7 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 62% | 0.615 | 72% | 0.723 | S | S | * | * | | | trans | -52 | 121.3 | 160.3 | -58.9 | 0 | 0 | 0 | 0 | 106.1 | S50 I54 | S50-S52 PolarHBondContact O-N 2.97Å; S52-I54 VanDerWaalsContact C-N 3.34Å; S52-I54 PolarHBondContact O-N 3.37Å |
| 53 | L | 51.5 | Low | 44.6 | Very low | 166 Ų | 166 | 128 Ų | 128 | 87% | 0.869 | 71% | 0.713 | S | S | * | * | | | trans | -56.4 | 100.7 | 174.2 | -86.3 | 70.5 | 0 | 0 | 0 | 108.1 | L51 P55 | L51-L53 PolarHBondContact O-N 3.1Å; L53-P55 VanDerWaalsContact O-CD 3.26Å; L53-P55 WeakPolarHBondContact O-CD 3.5Å |
| 54 | I | 48.9 | Very low | 44.8 | Very low | 102 Ų | 102 | 127.4 Ų | 127.4 | 52% | 0.523 | 72% | 0.723 | S | S | . | * | | | trans | -73.4 | 116 | 166.2 | -58.9 | 169.1 | 0 | 0 | 0 | 105 | S52 L56 M59 | S52-I54 VanDerWaalsContact C-N 3.34Å; S52-I54 PolarHBondContact O-N 3.37Å; I54-L56 PolarHBondContact O-N 3.47Å; I54-L56 VanDerWaalsContact O-N 3.09Å; I54-M59 HydrophobicContact CD1-CG 4.2Å; I54-M59 HydrophobicContact CG2-CB 4.3Å; I54-M59 HydrophobicContact CG2-CG 3.67Å |
| 55 | P | 45.5 | Very low | 44.9 | Very low | 69 Ų | 69 | 128.7 Ų | 128.7 | 45% | 0.448 | 72% | 0.721 | S | S | . | * | | | trans | -58.5 | 121.3 | 171.3 | 24.5 | -32 | 0 | 0 | 0 | 107.8 | L53 T57 Q58 | L53-P55 VanDerWaalsContact O-CD 3.26Å; L53-P55 WeakPolarHBondContact O-CD 3.5Å; P55-T57 PolarHBondContact O-N 2.78Å; P55-Q58 HydrophobicContact CG-CG 4.45Å; P55-Q58 PolarHBondContact O-N 3.42Å |
| 56 | L | 46.2 | Very low | 44.4 | Very low | 158 Ų | 158 | 131 Ų | 131 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.8 | -13.5 | -166 | -154.6 | 73.6 | 0 | 0 | 0 | 113.8 | I54 Q58 | I54-L56 PolarHBondContact O-N 3.47Å; I54-L56 VanDerWaalsContact O-N 3.09Å; L56-Q58 VanDerWaalsContact C-N 3.33Å; L56-Q58 PolarHBondContact O-N 3.04Å |
| 57 | T | 46.1 | Very low | 44.6 | Very low | 130 Ų | 130 | 130.9 Ų | 130.9 | 80% | 0.798 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -16.4 | 175.6 | 53.1 | 0 | 0 | 0 | 0 | 114.8 | P55 | P55-T57 PolarHBondContact O-N 2.78Š|
| 58 | Q | 45.2 | Very low | 44.5 | Very low | 139 Ų | 139 | 131.6 Ų | 131.6 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -100.9 | -12.7 | -179.3 | -61.1 | -174.6 | 13.7 | 0 | 0 | 113.7 | P55 L56 L60 | P55-Q58 HydrophobicContact CG-CG 4.45Å; P55-Q58 PolarHBondContact O-N 3.42Å; L56-Q58 VanDerWaalsContact C-N 3.33Å; L56-Q58 PolarHBondContact O-N 3.04Å; Q58-L60 VanDerWaalsContact C-N 3.34Å; Q58-L60 PolarHBondContact O-N 3.46Å |
| 59 | M | 39.3 | Very low | 44.2 | Very low | 131 Ų | 131 | 130.3 Ų | 130.3 | 65% | 0.645 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | 19 | -176.2 | -103.9 | -83.7 | -72 | 0 | 0 | 113.9 | I54 | I54-M59 HydrophobicContact CD1-CG 4.2Å; I54-M59 HydrophobicContact CG2-CB 4.3Å; I54-M59 HydrophobicContact CG2-CG 3.67Å |
| 60 | L | 44.8 | Very low | 44.1 | Very low | 137 Ų | 137 | 131.7 Ų | 131.7 | 72% | 0.717 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.5 | 31.5 | 168 | -148.7 | 82.9 | 0 | 0 | 0 | 113.1 | Q58 L62 | Q58-L60 VanDerWaalsContact C-N 3.34Å; Q58-L60 PolarHBondContact O-N 3.46Å; L60-L62 HydrophobicContact CG-CD1 4.29Å; L60-L62 PolarHBondContact O-N 3.4Å |
| 61 | T | 46.5 | Very low | 43.9 | Very low | 123 Ų | 123 | 132.5 Ų | 132.5 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | trans | -72.9 | 81.5 | 153.5 | -57 | 0 | 0 | 0 | 0 | 107.8 | G63 | T61-G63 PolarHBondContact O-N 3.33Š|
| 62 | L | 39.1 | Very low | 43.4 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | | | trans | -56 | 119.1 | 162 | -83.1 | 148.6 | 0 | 0 | 0 | 107.2 | L60 | L60-L62 HydrophobicContact CG-CD1 4.29Å; L60-L62 PolarHBondContact O-N 3.4Å |
| 63 | G | 38.2 | Very low | 43.1 | Very low | 54 Ų | 54 | 129.6 Ų | 129.6 | 56% | 0.557 | 74% | 0.741 | S | S | * | * | | | trans | -57.9 | 147.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | T61 D65 | T61-G63 PolarHBondContact O-N 3.33Å; G63-D65 PolarHBondContact O-N 3.41Å |
| 64 | P | 45.8 | Very low | 42.8 | Very low | 138 Ų | 138 | 125.3 Ų | 125.3 | 90% | 0.896 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -77.2 | 60.7 | -178.6 | 34.9 | -37.2 | 0 | 0 | 0 | 111.1 | | |
| 65 | D | 42.3 | Very low | 42.2 | Very low | 137 Ų | 137 | 129.7 Ų | 129.7 | 73% | 0.733 | 76% | 0.757 | S | S | * | * | | | trans | -128.8 | 29 | -178.5 | -144.5 | -2 | 0 | 0 | 0 | 112.7 | G63 H67 | G63-D65 PolarHBondContact O-N 3.41Å; D65-H67 PolarHBondContact O-N 3.29Å |
| 66 | L | 40.5 | Very low | 41.9 | Very low | 166 Ų | 166 | 132.4 Ų | 132.4 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | | | trans | -87.4 | 66.3 | 150.8 | -71.7 | 179.8 | 0 | 0 | 0 | 108.7 | L68 | L66-L68 PolarHBondContact O-N 2.91Š|
| 67 | H | 44 | Very low | 41.5 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | | | trans | -76.7 | 57.3 | -179.5 | -168.1 | -79 | 0 | 0 | 0 | 112.1 | D65 | D65-H67 PolarHBondContact O-N 3.29Š|
| 68 | L | 42.4 | Very low | 41 | Very low | 144 Ų | 144 | 128.1 Ų | 128.1 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | | | trans | 177 | 106.8 | 168.7 | -99.2 | 149.6 | 0 | 0 | 0 | 104.9 | L66 | L66-L68 PolarHBondContact O-N 2.91Š|
| 69 | L | 39.8 | Very low | 41 | Very low | 161 Ų | 161 | 128.1 Ų | 128.1 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | S | Bend | | -130.7 | 118.3 | 53.3 | -63 | 170.5 | 0 | 0 | 0 | 113 | P71 | L69-P71 WeakPolarHBondContact O-CD 3.43Š|
| 70 | N | 39.1 | Very low | 41 | Very low | 145 Ų | 145 | 131 Ų | 131 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | | | trans | -40.9 | 112 | 176.5 | -168.6 | 6.5 | 0 | 0 | 0 | 115.6 | | |
| 71 | P | 39.8 | Very low | 40.7 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | | | trans | -75.1 | 126.1 | 159.9 | 31 | -30.6 | 0 | 0 | 0 | 109.1 | L69 A73 | L69-P71 WeakPolarHBondContact O-CD 3.43Å; P71-A73 PolarHBondContact O-N 3.42Å |
| 72 | A | 39.3 | Very low | 40.2 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | | | trans | -58.3 | 126.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 73 | A | 41.3 | Very low | 40.3 | Very low | 103 Ų | 103 | 129 Ų | 129 | 85% | 0.851 | 79% | 0.786 | S | S | * | * | S | Bend | trans | 14.8 | 102.6 | 164.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | P71 | P71-A73 PolarHBondContact O-N 3.42Š|
| 74 | G | 45.2 | Very low | 40.4 | Very low | 75 Ų | 75 | 134 Ų | 134 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | 100.6 | 67.3 | 137 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 75 | M | 35.8 | Very low | 39.8 | Very low | 194 Ų | 194 | 133.3 Ų | 133.3 | 96% | 0.956 | 79% | 0.793 | S | S | * | * | | | trans | -135.4 | 140.6 | 141.7 | -76.2 | -156.8 | 170.9 | 0 | 0 | 111.3 | | |
| 76 | T | 40.1 | Very low | 39.8 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | | | trans | -69.5 | 151.9 | -176.3 | 45.2 | 0 | 0 | 0 | 0 | 112.6 | G78 | T76-G78 PolarHBondContact O-N 3.03Š|
| 77 | P | 36.5 | Very low | 39.2 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | | | trans | -68 | 93.9 | 175.4 | -11.6 | 26.8 | 0 | 0 | 0 | 110.9 | T79 | P77-T79 PolarHBondContact O-N 3.22Š|
| 78 | G | 35.9 | Very low | 38.6 | Very low | 65 Ų | 65 | 128.9 Ų | 128.9 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | | | trans | -78.9 | 113.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | T76 Q80 | T76-G78 PolarHBondContact O-N 3.03Å; G78-Q80 PolarHBondContact O-N 3.05Å |
| 79 | T | 46.2 | Very low | 38.5 | Very low | 140 Ų | 140 | 129.4 Ų | 129.4 | 86% | 0.859 | 80% | 0.797 | S | S | * | * | | | trans | -60.8 | 104.9 | 173.2 | -51.3 | 0 | 0 | 0 | 0 | 111 | P77 | P77-T79 PolarHBondContact O-N 3.22Š|
| 80 | Q | 38.6 | Very low | 38.4 | Very low | 191 Ų | 191 | 128.4 Ų | 128.4 | 89% | 0.893 | 79% | 0.793 | S | S | * | * | | | trans | -133.7 | 71 | 167.9 | -69.6 | -157.2 | -50.9 | 0 | 0 | 112.4 | G78 | G78-Q80 PolarHBondContact O-N 3.05Š|
| 81 | A | 39.4 | Very low | 38.4 | Very low | 80 Ų | 80 | 128.7 Ų | 128.7 | 66% | 0.661 | 79% | 0.793 | S | S | * | * | | | trans | -69.9 | 135.1 | 134.3 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 82 | H | 34.9 | Very low | 38.1 | Very low | 188 Ų | 188 | 131.7 Ų | 131.7 | 87% | 0.87 | 80% | 0.798 | S | S | * | * | | | trans | -168.2 | 161.6 | 145.1 | -107 | 68.7 | 0 | 0 | 0 | 110.5 | | |
| 83 | P | 40.3 | Very low | 38.3 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 62% | 0.623 | 81% | 0.805 | S | S | * | * | | | trans | -102.2 | 170.8 | -144.9 | 38.9 | -38.7 | 0 | 0 | 0 | 116.5 | T85 | P83-T85 PolarHBondContact O-N 3.24Š|
| 84 | L | 41.8 | Very low | 38.1 | Very low | 159 Ų | 159 | 140.1 Ų | 140.1 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | | | trans | -40.1 | 122.3 | 164.4 | -169.3 | 79 | 0 | 0 | 0 | 112.6 | L86 | L84-L86 HydrophobicContact CD2-CD1 4.48Š|
| 85 | T | 33 | Very low | 38.1 | Very low | 125 Ų | 125 | 144.1 Ų | 144.1 | 77% | 0.767 | 81% | 0.806 | S | S | * | * | | | trans | -113.4 | 117.3 | 173.6 | -67.3 | 0 | 0 | 0 | 0 | 109.9 | P83 | P83-T85 PolarHBondContact O-N 3.24Š|
| 86 | L | 41.6 | Very low | 38.1 | Very low | 167 Ų | 167 | 142.2 Ų | 142.2 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -79.2 | 114.5 | 165.8 | -94.4 | 100.3 | 0 | 0 | 0 | 109.4 | L84 | L84-L86 HydrophobicContact CD2-CD1 4.48Š|
| 87 | G | 29 | Very low | 38.3 | Very low | 63 Ų | 63 | 141.2 Ų | 141.2 | 65% | 0.649 | 79% | 0.79 | S | S | * | * | | | trans | -157.4 | 108.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 88 | V | 30 | Very low | 38.6 | Very low | 139 Ų | 139 | 142.3 Ų | 142.3 | 84% | 0.842 | 78% | 0.783 | S | S | * | * | | | trans | 31.1 | 102 | 152.1 | -169.7 | 0 | 0 | 0 | 0 | 118.9 | | |
| 89 | L | 41.7 | Very low | 38.7 | Very low | 156 Ų | 156 | 147.1 Ų | 147.1 | 82% | 0.817 | 79% | 0.79 | S | S | * | * | | | trans | 37 | 114.6 | 137.4 | -81 | 160.6 | 0 | 0 | 0 | 121.4 | | |
| 90 | N | 37.7 | Very low | 38.7 | Very low | 140 Ų | 140 | 146.4 Ų | 146.4 | 75% | 0.749 | 78% | 0.781 | S | S | * | * | | | | 100.2 | 147.2 | 129.7 | -138.9 | -21.4 | 0 | 0 | 0 | 119.5 | | |
| 91 | L | 38.3 | Very low | 39 | Very low | 151 Ų | 151 | 141.5 Ų | 141.5 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | 58.3 | 71.8 | 172.1 | -78.5 | 123.4 | 0 | 0 | 0 | 118.5 | | |
| 92 | Q | 33.3 | Very low | 39.5 | Very low | 178 Ų | 178 | 144.5 Ų | 144.5 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | | | | -156.1 | 125.7 | 122.9 | -110 | 163 | 14.8 | 0 | 0 | 110.9 | Q94 | Q92-Q94 PolarHBondContact O-N 3.11Š|
| 93 | Q | 43.1 | Very low | 40.2 | Very low | 205 Ų | 205 | 141 Ų | 141 | 96% | 0.958 | 75% | 0.751 | S | S | * | * | | | trans | -74 | 69.5 | 172.1 | -72.1 | 163.5 | -81.2 | 0 | 0 | 109.8 | L95 | Q93-L95 PolarHBondContact O-N 2.98Å; Q93-L95 VanDerWaalsContact O-N 3.1Å |
| 94 | Q | 37.9 | Very low | 40.5 | Very low | 172 Ų | 172 | 142.5 Ų | 142.5 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -82.5 | 91.9 | 173.8 | -166.6 | 160.4 | -93.3 | 0 | 0 | 109.1 | Q92 Q96 | Q92-Q94 PolarHBondContact O-N 3.11Å; Q94-Q96 PolarHBondContact O-N 2.89Å |
| 95 | L | 44.6 | Very low | 40.6 | Very low | 159 Ų | 159 | 139.2 Ų | 139.2 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | | | trans | 9.5 | 104.6 | 163 | -71.1 | 161 | 0 | 0 | 0 | 114.2 | Q93 P97 | Q93-L95 PolarHBondContact O-N 2.98Å; Q93-L95 VanDerWaalsContact O-N 3.1Å; L95-P97 WeakPolarHBondContact O-CD 3.31Å; L95-P97 VanDerWaalsContact O-N 3.1Å |
| 96 | Q | 36.8 | Very low | 40.8 | Very low | 154 Ų | 154 | 141.1 Ų | 141.1 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | | | trans | -54.6 | 119 | 167.9 | -72 | -173.7 | -17.4 | 0 | 0 | 108.8 | Q94 H98 | Q94-Q96 PolarHBondContact O-N 2.89Å; Q96-H98 VanDerWaalsContact C-N 3.26Å; Q96-H98 PolarHBondContact O-N 2.83Å; Q96-H98 PolarHBondContact OE1-CE1 3.39Å |
| 97 | P | 44.8 | Very low | 40.8 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | | | trans | -70.5 | 95.5 | 160.1 | 30.1 | -29 | 0 | 0 | 0 | 105.9 | L95 M99 | L95-P97 WeakPolarHBondContact O-CD 3.31Å; L95-P97 VanDerWaalsContact O-N 3.1Å; P97-M99 HydrophobicContact CB-CG 4.26Å; P97-M99 HydrophobicContact CB-SD 4.45Å; P97-M99 PolarHBondContact O-N 2.82Å |
| 98 | H | 41.2 | Very low | 41.4 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 72% | 0.722 | 74% | 0.739 | S | S | * | * | | | trans | -67.8 | 65.3 | 161.1 | -88.9 | 0.8 | 0 | 0 | 0 | 108.9 | Q96 L100 | Q96-H98 VanDerWaalsContact C-N 3.26Å; Q96-H98 PolarHBondContact O-N 2.83Å; Q96-H98 PolarHBondContact OE1-CE1 3.39Å; H98-L100 VanDerWaalsContact C-N 3.32Å; H98-L100 PolarHBondContact O-N 3.12Å |
| 99 | M | 39.3 | Very low | 42 | Very low | 165 Ų | 165 | 139.1 Ų | 139.1 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | | | trans | -73.3 | 93.4 | 164.4 | -76.6 | 174.4 | 64.9 | 0 | 0 | 106.9 | P97 | P97-M99 HydrophobicContact CB-CG 4.26Å; P97-M99 HydrophobicContact CB-SD 4.45Å; P97-M99 PolarHBondContact O-N 2.82Å |
| 100 | L | 45.2 | Very low | 41.9 | Very low | 126 Ų | 126 | 139.8 Ų | 139.8 | 66% | 0.66 | 74% | 0.74 | S | S | * | * | | | trans | -52.6 | 131.9 | 169.9 | -68.3 | 167 | 0 | 0 | 0 | 108.9 | H98 I102 | H98-L100 VanDerWaalsContact C-N 3.32Å; H98-L100 PolarHBondContact O-N 3.12Å; L100-I102 PolarHBondContact O-N 3.29Å; L100-I102 VanDerWaalsContact O-N 3.12Å |
| 101 | P | 44.7 | Very low | 42.3 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 57% | 0.565 | 74% | 0.737 | S | S | * | * | | | trans | -67.1 | 113.7 | 178.2 | 26.7 | -33.6 | 0 | 0 | 0 | 110 | F103 | P101-F103 HydrophobicContact CB-CD2 4.27Å; P101-F103 HydrophobicContact CB-CE2 3.66Å; P101-F103 HydrophobicContact CB-CZ 3.86Å; P101-F103 HydrophobicContact CG-CD2 4.44Å; P101-F103 HydrophobicContact CG-CE2 3.61Å; P101-F103 HydrophobicContact CG-CZ 4.07Å; P101-F103 VanDerWaalsContact O-CD2 3.31Å; P101-F103 WeakPolarHBondContact O-CD2 3.48Å; P101-F103 PolarHBondContact O-N 2.81Å |
| 102 | I | 51.1 | Low | 42.3 | Very low | 144 Ų | 144 | 134.3 Ų | 134.3 | 74% | 0.738 | 73% | 0.731 | S | S | * | * | | | trans | -80.7 | 111.5 | 173.3 | -57.7 | 176.2 | 0 | 0 | 0 | 108 | L100 | L100-I102 PolarHBondContact O-N 3.29Å; L100-I102 VanDerWaalsContact O-N 3.12Å |
| 103 | F | 49.7 | Very low | 42.9 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 50% | 0.504 | 73% | 0.729 | S | S | . | * | | | trans | -100.4 | 118.3 | 177.3 | -65.8 | -80.3 | 0 | 0 | 0 | 110.9 | P101 F123 | P101-F103 HydrophobicContact CB-CD2 4.27Å; P101-F103 HydrophobicContact CB-CE2 3.66Å; P101-F103 HydrophobicContact CB-CZ 3.86Å; P101-F103 HydrophobicContact CG-CD2 4.44Å; P101-F103 HydrophobicContact CG-CE2 3.61Å; P101-F103 HydrophobicContact CG-CZ 4.07Å; P101-F103 VanDerWaalsContact O-CD2 3.31Å; P101-F103 WeakPolarHBondContact O-CD2 3.48Å; P101-F103 PolarHBondContact O-N 2.81Å; F103-F123 HydrophobicContact CB-CE1 4.03Å; F103-F123 HydrophobicContact CB-CE2 4.46Å; F103-F123 HydrophobicContact CB-CZ 3.47Å; F103-F123 VanDerWaalsContact CB-CZ 3.47Å; F103-F123 HydrophobicContact CD1-CE1 4.37Å; F103-F123 HydrophobicContact CD2-CD1 4.22Å; F103-F123 AromaticContact CD2-CE1 3.28Å; F103-F123 HydrophobicContact CD2-CE1 3.28Å; F103-F123 AromaticContact CD2-CZ 3.6Å; F103-F123 HydrophobicContact CD2-CZ 3.6Å; F103-F123 HydrophobicContact CE2-CD1 4.36Å; F103-F123 AromaticContact CE2-CE1 3.68Å; F103-F123 HydrophobicContact CE2-CE1 3.68Å; F103-F123 HydrophobicContact CE2-CZ 4.44Å; F103-F123 AromaticContact CG-CE1 3.66Å; F103-F123 HydrophobicContact CG-CE1 3.66Å; F103-F123 AromaticContact CG-CZ 3.67Å; F103-F123 HydrophobicContact CG-CZ 3.67Å; F103-F123 HydrophobicContact CZ-CE1 4.39Å |
| 104 | V | 46.5 | Very low | 42.9 | Very low | 127 Ų | 127 | 128 Ų | 128 | 77% | 0.77 | 71% | 0.708 | S | S | * | * | | | trans | -97.1 | 90.1 | 173.1 | -175.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 105 | T | 42.8 | Very low | 43.2 | Very low | 89 Ų | 89 | 124.3 Ų | 124.3 | 55% | 0.546 | 70% | 0.701 | S | S | . | * | | | trans | -90.5 | 102.5 | 173 | 54.8 | 0 | 0 | 0 | 0 | 110.3 | L107 L126 | T105-L107 PolarHBondContact O-N 3.3Å; T105-L126 HydrophobicContact CG2-CD2 4.45Å |
| 106 | Q | 37.5 | Very low | 43.3 | Very low | 165 Ų | 165 | 120.2 Ų | 120.2 | 77% | 0.771 | 69% | 0.686 | S | S | * | * | | | trans | -72.6 | 93.8 | 179.9 | -174.6 | 177.5 | 97.2 | 0 | 0 | 111.4 | G108 | Q106-G108 PolarHBondContact O-N 3.35Š|
| 107 | L | 41.5 | Very low | 44.1 | Very low | 172 Ų | 172 | 121.7 Ų | 121.7 | 90% | 0.901 | 69% | 0.693 | S | S | * | * | | | trans | -86.7 | 80.3 | 173.9 | -166.1 | 74.7 | 0 | 0 | 0 | 111 | T105 | T105-L107 PolarHBondContact O-N 3.3Š|
| 108 | G | 41.9 | Very low | 44.2 | Very low | 48 Ų | 48 | 124.2 Ų | 124.2 | 50% | 0.495 | 70% | 0.695 | S | S | . | * | S | Bend | trans | 85.7 | 177.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115 | Q106 Q110 | Q106-G108 PolarHBondContact O-N 3.35Å; G108-Q110 PolarHBondContact O-N 3.21Å |
| 109 | A | 41.6 | Very low | 44.8 | Very low | 108 Ų | 108 | 119.5 Ų | 119.5 | 89% | 0.893 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -72.9 | 15.2 | -166.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 110 | Q | 40.6 | Very low | 45.3 | Very low | 169 Ų | 169 | 116.2 Ų | 116.2 | 79% | 0.79 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -129.9 | 98.7 | 175.3 | -67.5 | -77.1 | 8.2 | 0 | 0 | 106.8 | G108 T112 | G108-Q110 PolarHBondContact O-N 3.21Å; Q110-T112 PolarHBondContact O-N 3.5Å |
| 111 | G | 46.1 | Very low | 45.6 | Very low | 67 Ų | 67 | 118.3 Ų | 118.3 | 69% | 0.691 | 67% | 0.673 | S | S | * | * | | | trans | -70.7 | 94 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 112 | T | 38.3 | Very low | 46 | Very low | 109 Ų | 109 | 119.3 Ų | 119.3 | 67% | 0.669 | 67% | 0.672 | S | S | * | * | | | trans | -81.9 | 120 | 168.1 | -101.7 | 0 | 0 | 0 | 0 | 109.4 | Q110 L114 | Q110-T112 PolarHBondContact O-N 3.5Å; T112-L114 HydrophobicContact CG2-CD1 4.27Å; T112-L114 HydrophobicContact CG2-CD2 3.5Å; T112-L114 HydrophobicContact CG2-CG 3.6Å |
| 113 | I | 46.6 | Very low | 45.8 | Very low | 153 Ų | 153 | 113.7 Ų | 113.7 | 79% | 0.785 | 64% | 0.642 | S | S | * | * | | | trans | -91.6 | 116 | 170.6 | -59.5 | -179.7 | 0 | 0 | 0 | 107 | | |
| 114 | L | 42.9 | Very low | 45.6 | Very low | 98 Ų | 98 | 112.1 Ų | 112.1 | 51% | 0.513 | 64% | 0.642 | S | S | . | * | | | trans | -101.2 | 123.3 | 174.2 | -61.7 | 179.4 | 0 | 0 | 0 | 109.5 | T112 | T112-L114 HydrophobicContact CG2-CD1 4.27Å; T112-L114 HydrophobicContact CG2-CD2 3.5Å; T112-L114 HydrophobicContact CG2-CG 3.6Å |
| 115 | S | 43.1 | Very low | 45.4 | Very low | 94 Ų | 94 | 109.6 Ų | 109.6 | 66% | 0.657 | 63% | 0.63 | S | S | * | * | | | trans | -72.5 | 157.3 | 175.2 | -71.8 | 0 | 0 | 0 | 0 | 111.9 | E117 | S115-E117 PolarHBondContact O-N 3Š|
| 116 | S | 47.6 | Very low | 45.7 | Very low | 74 Ų | 74 | 109.6 Ų | 109.6 | 52% | 0.517 | 63% | 0.626 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -62.9 | -4.4 | -166.5 | -56.5 | 0 | 0 | 0 | 0 | 117.6 | | |
| 117 | E | 53.1 | Low | 46.5 | Very low | 185 Ų | 185 | 106.7 Ų | 106.7 | 86% | 0.864 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -25.8 | -177.6 | -83.4 | 161.8 | 65 | 0 | 0 | 114.2 | S115 | S115-E117 PolarHBondContact O-N 3Š|
| 118 | E | 48 | Very low | 46.7 | Very low | 157 Ų | 157 | 103.8 Ų | 103.8 | 73% | 0.734 | 60% | 0.599 | S | S | * | * | S | Bend | trans | -97.7 | 9.8 | 179.6 | -61.1 | -168.3 | 101.7 | 0 | 0 | 113.6 | P120 | E118-P120 WeakPolarHBondContact O-CD 3.35Š|
| 119 | L | 52.3 | Low | 46.6 | Very low | 58 Ų | 58 | 107.5 Ų | 107.5 | 30% | 0.304 | 60% | 0.603 | S | S | . | * | | | trans | -79.5 | -7.1 | -172.2 | -144.8 | 89.9 | 0 | 0 | 0 | 119.2 | Q121 F123 | L119-Q121 PolarHBondContact O-N 3.42Å; L119-F123 HydrophobicContact CD1-CD2 3.79Å; L119-F123 HydrophobicContact CD1-CE2 3.81Å; L119-F123 HydrophobicContact CD2-CB 4.47Å; L119-F123 HydrophobicContact CD2-CD1 4.43Å; L119-F123 HydrophobicContact CD2-CD2 3.64Å; L119-F123 HydrophobicContact CD2-CE2 4.03Å; L119-F123 HydrophobicContact CD2-CG 3.88Å; L119-F123 HydrophobicContact CG-CD2 3.51Å; L119-F123 HydrophobicContact CG-CE2 4.02Å; L119-F123 HydrophobicContact CG-CG 4.13Å |
| 120 | P | 50 | Low | 46.8 | Very low | 96 Ų | 96 | 106.8 Ų | 106.8 | 62% | 0.623 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.3 | -35.6 | -170.5 | -24.5 | 33.3 | 0 | 0 | 0 | 116 | E118 T124 | E118-P120 WeakPolarHBondContact O-CD 3.35Å; P120-T124 PolarHBondContact O-OG1 3.26Å |
| 121 | Q | 52.1 | Low | 47.2 | Very low | 170 Ų | 170 | 104.9 Ų | 104.9 | 79% | 0.794 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -96.9 | -30 | -165.5 | -62.6 | -174.9 | 2.1 | 0 | 0 | 114.1 | L119 T124 | L119-Q121 PolarHBondContact O-N 3.42Å; Q121-T124 PolarHBondContact O-OG1 3.05Å |
| 122 | I | 52 | Low | 46.9 | Very low | 107 Ų | 107 | 108.7 Ų | 108.7 | 55% | 0.549 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -76.1 | -36.2 | -179.1 | -51.5 | 174.9 | 0 | 0 | 0 | 110.2 | L126 | I122-L126 PolarHBondContact O-N 3.32Å |
| 123 | F | 47.3 | Very low | 46.9 | Very low | 27 Ų | 27 | 110 Ų | 110 | 12% | 0.118 | 59% | 0.594 | C | S | . | * | H | α-helix | trans | -77.4 | -31.8 | -176 | -98.5 | -100.8 | 0 | 0 | 0 | 114.8 | F103 L119 S125 L126 I127 | F103-F123 HydrophobicContact CB-CE1 4.03Å; F103-F123 HydrophobicContact CB-CE2 4.46Å; F103-F123 HydrophobicContact CB-CZ 3.47Å; F103-F123 VanDerWaalsContact CB-CZ 3.47Å; F103-F123 HydrophobicContact CD1-CE1 4.37Å; F103-F123 HydrophobicContact CD2-CD1 4.22Å; F103-F123 AromaticContact CD2-CE1 3.28Å; F103-F123 HydrophobicContact CD2-CE1 3.28Å; F103-F123 AromaticContact CD2-CZ 3.6Å; F103-F123 HydrophobicContact CD2-CZ 3.6Å; F103-F123 HydrophobicContact CE2-CD1 4.36Å; F103-F123 AromaticContact CE2-CE1 3.68Å; F103-F123 HydrophobicContact CE2-CE1 3.68Å; F103-F123 HydrophobicContact CE2-CZ 4.44Å; F103-F123 AromaticContact CG-CE1 3.66Å; F103-F123 HydrophobicContact CG-CE1 3.66Å; F103-F123 AromaticContact CG-CZ 3.67Å; F103-F123 HydrophobicContact CG-CZ 3.67Å; F103-F123 HydrophobicContact CZ-CE1 4.39Å; L119-F123 HydrophobicContact CD1-CD2 3.79Å; L119-F123 HydrophobicContact CD1-CE2 3.81Å; L119-F123 HydrophobicContact CD2-CB 4.47Å; L119-F123 HydrophobicContact CD2-CD1 4.43Å; L119-F123 HydrophobicContact CD2-CD2 3.64Å; L119-F123 HydrophobicContact CD2-CE2 4.03Å; L119-F123 HydrophobicContact CD2-CG 3.88Å; L119-F123 HydrophobicContact CG-CD2 3.51Å; L119-F123 HydrophobicContact CG-CE2 4.02Å; L119-F123 HydrophobicContact CG-CG 4.13Å; F123-S125 VanDerWaalsContact C-N 3.27Å; F123-S125 PolarHBondContact O-N 3.22Å; F123-L126 PolarHBondContact O-N 2.92Å; F123-I127 HydrophobicContact CD1-CD1 4.09Å; F123-I127 HydrophobicContact CD1-CG1 4.45Å; F123-I127 WeakPolarHBondContact O-CG1 3.45Å; F123-I127 PolarHBondContact O-N 3.28Å |
| 124 | T | 46 | Very low | 46.9 | Very low | 82 Ų | 82 | 106.5 Ų | 106.5 | 50% | 0.503 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -61.4 | -37.9 | 174.8 | 22.2 | 0 | 0 | 0 | 0 | 111.6 | P120 Q121 I128 | P120-T124 PolarHBondContact O-OG1 3.26Å; Q121-T124 PolarHBondContact O-OG1 3.05Å; T124-I128 WeakPolarHBondContact O-CB 3.25Å; T124-I128 VanDerWaalsContact O-CG1 3.31Å; T124-I128 WeakPolarHBondContact O-CG1 3.46Å; T124-I128 PolarHBondContact O-N 3.29Å |
| 125 | S | 42.1 | Very low | 46.7 | Very low | 74 Ų | 74 | 103.8 Ų | 103.8 | 52% | 0.517 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -65.2 | -51.6 | 173.6 | -173.5 | 0 | 0 | 0 | 0 | 112.2 | F123 I127 I128 H129 | F123-S125 VanDerWaalsContact C-N 3.27Å; F123-S125 PolarHBondContact O-N 3.22Å; S125-I127 PolarHBondContact O-N 3.15Å; S125-I128 PolarHBondContact O-N 3.41Å; S125-H129 WeakPolarHBondContact O-CB 3.34Å; S125-H129 PolarHBondContact O-N 2.97Å |
| 126 | L | 50.1 | Low | 46.8 | Very low | 88 Ų | 88 | 107.5 Ų | 107.5 | 46% | 0.461 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -65.8 | -38.1 | -173.8 | -171.7 | 63.7 | 0 | 0 | 0 | 113.3 | T105 I122 F123 S130 | T105-L126 HydrophobicContact CG2-CD2 4.45Å; I122-L126 PolarHBondContact O-N 3.32Å; F123-L126 PolarHBondContact O-N 2.92Å; L126-S130 PolarHBondContact O-N 3.21Å; L126-S130 PolarHBondContact O-OG 3.4Å |
| 127 | I | 53.6 | Low | 46.4 | Very low | 105 Ų | 105 | 111.3 Ų | 111.3 | 54% | 0.538 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -73.5 | -41.1 | -179.1 | -67.7 | 179.5 | 0 | 0 | 0 | 111.3 | F123 S125 | F123-I127 HydrophobicContact CD1-CD1 4.09Å; F123-I127 HydrophobicContact CD1-CG1 4.45Å; F123-I127 WeakPolarHBondContact O-CG1 3.45Å; F123-I127 PolarHBondContact O-N 3.28Å; S125-I127 PolarHBondContact O-N 3.15Å |
| 128 | I | 46.6 | Very low | 45.7 | Very low | 111 Ų | 111 | 107.5 Ų | 107.5 | 57% | 0.569 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -72.5 | -41.1 | -178.9 | -64.3 | 176 | 0 | 0 | 0 | 111.2 | T124 S125 S130 L131 F132 | T124-I128 WeakPolarHBondContact O-CB 3.25Å; T124-I128 VanDerWaalsContact O-CG1 3.31Å; T124-I128 WeakPolarHBondContact O-CG1 3.46Å; T124-I128 PolarHBondContact O-N 3.29Å; S125-I128 PolarHBondContact O-N 3.41Å; I128-S130 PolarHBondContact O-N 2.98Å; I128-L131 PolarHBondContact O-N 3.47Å; I128-L131 VanDerWaalsContact O-N 3.1Å; I128-F132 PolarHBondContact O-N 2.79Å |
| 129 | H | 39.7 | Very low | 45.2 | Very low | 125 Ų | 125 | 106.5 Ų | 106.5 | 58% | 0.579 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.6 | -24.5 | 179.8 | -149.5 | 87.8 | 0 | 0 | 0 | 113.2 | S125 | S125-H129 WeakPolarHBondContact O-CB 3.34Å; S125-H129 PolarHBondContact O-N 2.97Å |
| 130 | S | 46.1 | Very low | 44.8 | Very low | 93 Ų | 93 | 109.3 Ų | 109.3 | 65% | 0.65 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -82.4 | -18 | 176.9 | -53.9 | 0 | 0 | 0 | 0 | 113.7 | L126 I128 | L126-S130 PolarHBondContact O-N 3.21Å; L126-S130 PolarHBondContact O-OG 3.4Å; I128-S130 PolarHBondContact O-N 2.98Å |
| 131 | L | 48.3 | Very low | 44.2 | Very low | 130 Ų | 130 | 113.5 Ų | 113.5 | 68% | 0.681 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -97.4 | -18.7 | -174.8 | -157.7 | 66.1 | 0 | 0 | 0 | 113.2 | I128 | I128-L131 PolarHBondContact O-N 3.47Å; I128-L131 VanDerWaalsContact O-N 3.1Å |
| 132 | F | 39.7 | Very low | 43.6 | Very low | 146 Ų | 146 | 110 Ų | 110 | 64% | 0.64 | 65% | 0.648 | S | S | * | * | | | trans | -137.2 | 101.7 | 178.2 | -70.1 | -81.6 | 0 | 0 | 0 | 112.6 | I128 G134 | I128-F132 PolarHBondContact O-N 2.79Å; F132-G134 PolarHBondContact O-N 3.45Å |
| 133 | P | 37.8 | Very low | 43.3 | Very low | 136 Ų | 136 | 108.7 Ų | 108.7 | 88% | 0.883 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.1 | 98.9 | 170 | -11.6 | 27.2 | 0 | 0 | 0 | 110 | | |
| 134 | G | 47.6 | Very low | 42.6 | Very low | 80 Ų | 80 | 111.5 Ų | 111.5 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150.9 | 2.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | F132 | F132-G134 PolarHBondContact O-N 3.45Š|
| 135 | G | 38.6 | Very low | 42.3 | Very low | 42 Ų | 42 | 114.3 Ų | 114.3 | 43% | 0.433 | 70% | 0.702 | S | S | . | * | | | trans | -90.2 | 114.2 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 136 | I | 44.3 | Very low | 42.3 | Very low | 171 Ų | 171 | 116.9 Ų | 116.9 | 88% | 0.877 | 72% | 0.717 | S | S | * | * | | | trans | -28.5 | 143 | 168.8 | 35.3 | 174.8 | 0 | 0 | 0 | 118.1 | | |
| 137 | L | 40 | Very low | 42 | Very low | 154 Ų | 154 | 119 Ų | 119 | 81% | 0.806 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -51.8 | 142.7 | 179.9 | -164 | 76.3 | 0 | 0 | 0 | 113.9 | T139 | L137-T139 PolarHBondContact O-N 3.14Š|
| 138 | P | 38.5 | Very low | 41.7 | Very low | 105 Ų | 105 | 120 Ų | 120 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 118.1 | 170.3 | 27.4 | -33.7 | 0 | 0 | 0 | 110.6 | S140 | P138-S140 PolarHBondContact O-N 3.4Š|
| 139 | T | 37.7 | Very low | 41.5 | Very low | 137 Ų | 137 | 124.6 Ų | 124.6 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 117.5 | 173.2 | -10.9 | 0 | 0 | 0 | 0 | 109.5 | L137 Q141 | L137-T139 PolarHBondContact O-N 3.14Å; T139-Q141 PolarHBondContact O-N 3.42Å; T139-Q141 VanDerWaalsContact O-N 3.15Å |
| 140 | S | 43.9 | Very low | 41.8 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 119.3 | 175.4 | -54 | 0 | 0 | 0 | 0 | 110.9 | P138 A142 | P138-S140 PolarHBondContact O-N 3.4Å; S140-A142 VanDerWaalsContact C-N 3.27Å; S140-A142 PolarHBondContact O-N 2.98Å |
| 141 | Q | 36.3 | Very low | 41.3 | Very low | 185 Ų | 185 | 124.9 Ų | 124.9 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | | | trans | -70.3 | 90.4 | 164.5 | -79.2 | -163.3 | -65.1 | 0 | 0 | 109.3 | T139 G143 | T139-Q141 PolarHBondContact O-N 3.42Å; T139-Q141 VanDerWaalsContact O-N 3.15Å; Q141-G143 PolarHBondContact O-N 3.02Å |
| 142 | A | 40.2 | Very low | 41.1 | Very low | 95 Ų | 95 | 124.4 Ų | 124.4 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | | | trans | -64.4 | 116 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | S140 | S140-A142 VanDerWaalsContact C-N 3.27Å; S140-A142 PolarHBondContact O-N 2.98Å |
| 143 | G | 45.7 | Very low | 41.3 | Very low | 81 Ų | 81 | 125.4 Ų | 125.4 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | trans | 46.2 | 99.2 | 160.1 | 0 | 0 | 0 | 0 | 0 | 118.2 | Q141 | Q141-G143 PolarHBondContact O-N 3.02Š|
| 144 | A | 33 | Very low | 41.5 | Very low | 86 Ų | 86 | 125 Ų | 125 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | -127.9 | 113 | 160 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 145 | N | 37.8 | Very low | 41.3 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | | | trans | -63.9 | 131.8 | 166.4 | 179.4 | 30.3 | 0 | 0 | 0 | 109.2 | D147 | N145-D147 VanDerWaalsContact C-N 3.31Å; N145-D147 PolarHBondContact O-N 3.13Å |
| 146 | P | 43.6 | Very low | 41.4 | Very low | 128 Ų | 128 | 127.3 Ų | 127.3 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | S | Bend | trans | -84.1 | 74.9 | -179.8 | 35.1 | -35.2 | 0 | 0 | 0 | 110.8 | | |
| 147 | D | 42.6 | Very low | 41.3 | Very low | 133 Ų | 133 | 129 Ų | 129 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | | | trans | -142.4 | 141 | 160 | -149.8 | -10.4 | 0 | 0 | 0 | 109.9 | N145 | N145-D147 VanDerWaalsContact C-N 3.31Å; N145-D147 PolarHBondContact O-N 3.13Å |
| 148 | V | 48.8 | Very low | 41.2 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 76% | 0.764 | 81% | 0.808 | S | S | * | * | | | trans | 62.9 | 84.3 | -171 | -164.7 | 0 | 0 | 0 | 0 | 115.1 | | |
| 149 | Q | 41.2 | Very low | 41.1 | Very low | 207 Ų | 207 | 124.7 Ų | 124.7 | 97% | 0.967 | 81% | 0.809 | S | S | * | * | | | trans | -99.5 | 98.1 | 150.6 | -75.8 | -164.5 | 28.8 | 0 | 0 | 109.9 | | |
| 150 | D | 46 | Very low | 40.9 | Very low | 161 Ų | 161 | 125 Ų | 125 | 86% | 0.861 | 81% | 0.81 | S | S | * | * | | | trans | -134.1 | 107.7 | 159.8 | -163.1 | 7.7 | 0 | 0 | 0 | 106.7 | | |
| 151 | G | 35.1 | Very low | 40.3 | Very low | 64 Ų | 64 | 126.1 Ų | 126.1 | 66% | 0.66 | 81% | 0.807 | S | S | * | * | | | trans | 169.6 | 81.7 | -165 | 0 | 0 | 0 | 0 | 0 | 116.2 | | |
| 152 | S | 44.5 | Very low | 40.7 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | | | trans | 32.8 | 117.6 | 151.1 | 63.2 | 0 | 0 | 0 | 0 | 120.3 | | |
| 153 | L | 44.4 | Very low | 40.6 | Very low | 167 Ų | 167 | 121.9 Ų | 121.9 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 146.1 | 162.1 | -62.2 | 169 | 0 | 0 | 0 | 112.2 | A155 | L153-A155 PolarHBondContact O-N 3.01Š|
| 154 | P | 41.4 | Very low | 40.1 | Very low | 127 Ų | 127 | 125.4 Ų | 125.4 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 118.8 | 176.1 | 28.9 | -33.1 | 0 | 0 | 0 | 111.2 | | |
| 155 | A | 43 | Very low | 40.2 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 134.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L153 | L153-A155 PolarHBondContact O-N 3.01Š|
| 156 | G | 42.4 | Very low | 40 | Very low | 72 Ų | 72 | 127.1 Ų | 127.1 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 146.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A158 | G156-A158 PolarHBondContact O-N 2.88Š|
| 157 | Q | 42.2 | Very low | 39.4 | Very low | 205 Ų | 205 | 127.8 Ų | 127.8 | 96% | 0.958 | 80% | 0.802 | S | S | * | * | | | trans | -64.6 | 104.2 | 179.3 | -67.9 | 168 | -97.3 | 0 | 0 | 111.6 | | |
| 158 | A | 36.4 | Very low | 39.8 | Very low | 101 Ų | 101 | 127.1 Ų | 127.1 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | | | trans | -82.7 | 138.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | G156 | G156-A158 PolarHBondContact O-N 2.88Š|
| 159 | G | 35.8 | Very low | 39 | Very low | 69 Ų | 69 | 126.3 Ų | 126.3 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | | | trans | -79.1 | 148.3 | -167.3 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 160 | V | 35.2 | Very low | 38.5 | Very low | 143 Ų | 143 | 120 Ų | 120 | 87% | 0.867 | 80% | 0.803 | S | S | * | * | | | trans | 48.5 | 95.9 | 143 | -156.6 | 0 | 0 | 0 | 0 | 118.5 | | |
| 161 | N | 31.4 | Very low | 37.8 | Very low | 140 Ų | 140 | 123.8 Ų | 123.8 | 75% | 0.749 | 81% | 0.805 | S | S | * | * | | | | -163.5 | 119.4 | 124.7 | -161.2 | -19.9 | 0 | 0 | 0 | 111.6 | | |
| 162 | P | 44.5 | Very low | 37.6 | Very low | 122 Ų | 122 | 128.6 Ų | 128.6 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | | | trans | -98.8 | 94.8 | 172.8 | 35.2 | -27.5 | 0 | 0 | 0 | 111.7 | | |
| 163 | A | 36.7 | Very low | 37.8 | Very low | 69 Ų | 69 | 127.7 Ų | 127.7 | 57% | 0.57 | 81% | 0.806 | S | S | * | * | | | trans | -152 | 108.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 164 | I | 37.1 | Very low | 37.3 | Very low | 155 Ų | 155 | 126 Ų | 126 | 80% | 0.795 | 80% | 0.803 | S | S | * | * | | | trans | 70.6 | 123.2 | 154.2 | -52.2 | 176.1 | 0 | 0 | 0 | 112.8 | | |
| 165 | Q | 33.7 | Very low | 37.8 | Very low | 186 Ų | 186 | 125.9 Ų | 125.9 | 87% | 0.869 | 80% | 0.802 | S | S | * | * | | | | -169.4 | 157.4 | 51.4 | -145.6 | 152.3 | 19.1 | 0 | 0 | 112 | | |
| 166 | G | 34.3 | Very low | 37.4 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | 91.4 | 90.1 | 143.9 | 0 | 0 | 0 | 0 | 0 | 119.8 | | |
| 167 | T | 30.1 | Very low | 37.2 | Very low | 142 Ų | 142 | 125.9 Ų | 125.9 | 87% | 0.871 | 79% | 0.792 | S | S | * | * | | | trans | -69.2 | 155.4 | 171.5 | -55 | 0 | 0 | 0 | 0 | 113.6 | | |
| 168 | P | 50.5 | Low | 37.3 | Very low | 120 Ų | 120 | 121.3 Ų | 121.3 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | trans | -105.2 | 157.7 | -166.1 | 39.8 | -35.1 | 0 | 0 | 0 | 116.8 | | |
| 169 | A | 32.8 | Very low | 37.4 | Very low | 109 Ų | 109 | 123.8 Ų | 123.8 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | | | trans | -169.1 | 162.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | | |
| 170 | G | 30.7 | Very low | 37.8 | Very low | 75 Ų | 75 | 127.1 Ų | 127.1 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | | | cis | -176.2 | -177.6 | 5.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 171 | R | 31.8 | Very low | 38.2 | Very low | 240 Ų | 240 | 125.5 Ų | 125.5 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | | | trans | -96.2 | 156.2 | -169.2 | -61.8 | 178.3 | 176.2 | 177.6 | -2.4 | 115.3 | | |
| 172 | L | 29.8 | Very low | 38.6 | Very low | 164 Ų | 164 | 128.3 Ų | 128.3 | 86% | 0.859 | 77% | 0.771 | S | S | * | * | | | trans | 76.5 | 159.8 | 158.9 | -94.4 | 72 | 0 | 0 | 0 | 118.7 | | |
| 173 | P | 48.6 | Very low | 38.2 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 66% | 0.662 | 77% | 0.765 | S | S | * | * | | | trans | -137.7 | 159.1 | -136.7 | 41.7 | -21.6 | 0 | 0 | 0 | 119.1 | | |
| 174 | T | 35.4 | Very low | 38.4 | Very low | 132 Ų | 132 | 128.9 Ų | 128.9 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | | | trans | 54.9 | 171.4 | 151.8 | 32.9 | 0 | 0 | 0 | 0 | 120.7 | | |
| 175 | P | 51.7 | Low | 38.7 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | | | cis | -135.5 | 162.4 | 6.1 | 39 | -20.6 | 0 | 0 | 0 | 120 | | |
| 176 | S | 34.7 | Very low | 39.5 | Very low | 125 Ų | 125 | 125.1 Ų | 125.1 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | | | trans | -167.9 | 165.1 | 146 | 56.5 | 0 | 0 | 0 | 0 | 109.5 | | |
| 177 | G | 38.6 | Very low | 39.8 | Very low | 46 Ų | 46 | 127.6 Ų | 127.6 | 47% | 0.474 | 77% | 0.773 | S | S | . | * | | | cis | -163.1 | -13.6 | -0.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | | |
| 178 | T | 43.6 | Very low | 40.7 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | | | trans | 75.9 | 131.7 | 169.7 | -48.9 | 0 | 0 | 0 | 0 | 115 | | |
| 179 | D | 37.5 | Very low | 40.4 | Very low | 153 Ų | 153 | 123.9 Ų | 123.9 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | | -145.7 | 145.6 | 70.2 | -129.7 | -11.3 | 0 | 0 | 0 | 116.6 | | |
| 180 | D | 44.2 | Very low | 41.2 | Very low | 139 Ų | 139 | 127 Ų | 127 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | | | trans | -97.4 | -173.5 | 168.2 | -82 | -59.7 | 0 | 0 | 0 | 108.3 | | |
| 181 | D | 44.6 | Very low | 41.7 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 58% | 0.578 | 78% | 0.775 | S | S | * | * | | | cis | -159.8 | 166.9 | 25 | -129.7 | -38.1 | 0 | 0 | 0 | 106.3 | A183 | D181-A183 PolarHBondContact OD1-N 3.31Š|
| 182 | F | 39.3 | Very low | 42.1 | Very low | 199 Ų | 199 | 131.2 Ų | 131.2 | 87% | 0.873 | 77% | 0.774 | S | S | * | * | S | Bend | | -145.1 | 121.8 | 50.1 | -85.3 | -94 | 0 | 0 | 0 | 112.4 | | |
| 183 | A | 36.3 | Very low | 42.6 | Very low | 80 Ų | 80 | 128.1 Ų | 128.1 | 66% | 0.661 | 77% | 0.765 | S | S | * | * | S | Bend | | 161.8 | 133.2 | 111.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | D181 | D181-A183 PolarHBondContact OD1-N 3.31Š|
| 184 | V | 40.4 | Very low | 42.2 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 75% | 0.745 | 77% | 0.771 | S | S | * | * | S | Bend | trans | 81 | 65.3 | 171.9 | -162.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 185 | T | 43.7 | Very low | 42.4 | Very low | 131 Ų | 131 | 131 Ų | 131 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | | 44.5 | 92.9 | 129.1 | 59.6 | 0 | 0 | 0 | 0 | 118.4 | | |
| 186 | T | 50.7 | Low | 41.4 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | | | trans | -113.1 | 149.1 | 158.1 | -62.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 187 | P | 40.4 | Very low | 41.8 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | | | trans | -71.8 | 151 | -157.7 | -18.3 | 31.1 | 0 | 0 | 0 | 116.2 | | |
| 188 | A | 50 | Low | 41.9 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | | | trans | -64.6 | 140.4 | -169 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 189 | G | 44.6 | Very low | 41.8 | Very low | 72 Ų | 72 | 139.9 Ų | 139.9 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | | | trans | -167.6 | 76 | 175.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 190 | I | 49 | Very low | 41.9 | Very low | 176 Ų | 176 | 139.4 Ų | 139.4 | 90% | 0.903 | 79% | 0.794 | S | S | * | * | | | trans | 42.8 | 121.5 | 153.8 | -45.3 | -177.6 | 0 | 0 | 0 | 119.7 | | |
| 191 | Q | 40.6 | Very low | 41.9 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -76.7 | 158.4 | -170.9 | -55.3 | 164.4 | -7.1 | 0 | 0 | 117.5 | | |
| 192 | R | 39.3 | Very low | 41.7 | Very low | 231 Ų | 231 | 139.2 Ų | 139.2 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | | | trans | -163.8 | 124.5 | 138 | -122.3 | 175.6 | 179 | 174.3 | -0.7 | 116.2 | | |
| 193 | S | 41.8 | Very low | 42.2 | Very low | 98 Ų | 98 | 137.6 Ų | 137.6 | 69% | 0.685 | 80% | 0.798 | S | S | * | * | | | trans | -43.4 | 154.2 | 176.9 | 173.3 | 0 | 0 | 0 | 0 | 120 | | |
| 194 | T | 39 | Very low | 42.6 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | | -169.3 | 111.6 | 119.6 | -64.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 195 | H | 39.5 | Very low | 42.4 | Very low | 168 Ų | 168 | 141 Ų | 141 | 78% | 0.778 | 81% | 0.807 | S | S | * | * | | | trans | 27.5 | 126.1 | 153.1 | -71.5 | -85.5 | 0 | 0 | 0 | 125.4 | | |
| 196 | A | 32.6 | Very low | 42.2 | Very low | 95 Ų | 95 | 138 Ų | 138 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | | | | -177.8 | 105.4 | 122.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 197 | T | 41.2 | Very low | 41.8 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | | | | 51.7 | 94.3 | 86.2 | -50.2 | 0 | 0 | 0 | 0 | 115.5 | | |
| 198 | E | 40.6 | Very low | 41.8 | Very low | 192 Ų | 192 | 145 Ų | 145 | 90% | 0.897 | 82% | 0.818 | S | S | * | * | | | trans | -152.6 | 139.1 | 130.5 | -151.2 | 168.7 | 149.9 | 0 | 0 | 110.4 | | |
| 199 | E | 42.2 | Very low | 41.4 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | | | trans | -88.1 | 144.6 | 179.1 | -57.5 | 172.9 | 116.8 | 0 | 0 | 110.2 | | |
| 200 | T | 39.7 | Very low | 41.2 | Very low | 142 Ų | 142 | 150.6 Ų | 150.6 | 87% | 0.871 | 82% | 0.817 | S | S | * | * | | | trans | -156.6 | 118.5 | 143 | -76.4 | 0 | 0 | 0 | 0 | 110.8 | | |
| 201 | T | 45 | Very low | 40.8 | Very low | 113 Ų | 113 | 149.2 Ų | 149.2 | 69% | 0.693 | 81% | 0.812 | S | S | * | * | | | trans | -70.2 | 138.3 | -178.9 | -48.5 | 0 | 0 | 0 | 0 | 113 | | |
| 202 | T | 40.7 | Very low | 40.8 | Very low | 131 Ų | 131 | 147.9 Ų | 147.9 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | | | trans | -156.2 | 105.4 | 142.5 | -64.2 | 0 | 0 | 0 | 0 | 110 | | |
| 203 | E | 48.5 | Very low | 40.9 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 77% | 0.771 | 81% | 0.809 | S | S | * | * | | | trans | -77.7 | 134.1 | 174.1 | -69.3 | -73.7 | 116.3 | 0 | 0 | 111.4 | N205 | E203-N205 PolarHBondContact O-N 3.38Š|
| 204 | P | 44.4 | Very low | 40.8 | Very low | 125 Ų | 125 | 145.7 Ų | 145.7 | 81% | 0.812 | 82% | 0.817 | S | S | * | * | | | trans | -86.2 | 97.2 | 167.3 | 32.9 | -29.2 | 0 | 0 | 0 | 110 | G206 | P204-G206 PolarHBondContact O-N 3.42Š|
| 205 | N | 37.9 | Very low | 41 | Very low | 149 Ų | 149 | 146.9 Ų | 146.9 | 80% | 0.797 | 82% | 0.819 | S | S | * | * | | | trans | -68.4 | 127.1 | 178.5 | -173.7 | 20.9 | 0 | 0 | 0 | 111.7 | E203 | E203-N205 PolarHBondContact O-N 3.38Š|
| 206 | G | 39.3 | Very low | 41.1 | Very low | 68 Ų | 68 | 145.3 Ų | 145.3 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | | | trans | -145.9 | 91.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P204 | P204-G206 PolarHBondContact O-N 3.42Š|
| 207 | I | 41.5 | Very low | 41.8 | Very low | 139 Ų | 139 | 149.5 Ų | 149.5 | 71% | 0.713 | 83% | 0.826 | S | S | * | * | | | trans | -151.3 | 128 | 159.7 | 38.4 | 170.9 | 0 | 0 | 0 | 111.1 | | |
| 208 | Q | 40.6 | Very low | 41.9 | Very low | 267 Ų | 267 | 151.5 Ų | 151.5 | 100% | 1.248 | 83% | 0.83 | S | S | * | * | | | trans | 65.6 | 0 | 163.6 | -65.5 | 176.3 | 94.1 | 0 | 0 | 118.1 | | |