| 1 | M | 39 | Very low | 38.4 | Very low | 249 Ų | 249 | 144.7 Ų | 144.7 | 100% | 1.227 | 80% | 0.796 | S | S | * | * | | | | 0 | 132.4 | 0 | -80.7 | 173.6 | 171.1 | 0 | 0 | 107.6 | | |
| 2 | A | 34.4 | Very low | 38.5 | Very low | 96 Ų | 96 | 143.5 Ų | 143.5 | 79% | 0.793 | 80% | 0.803 | S | S | * | * | | | trans | -70.5 | 144.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 3 | N | 31.1 | Very low | 38.9 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | | | trans | 152.6 | 124.8 | 157 | -88.5 | -9.5 | 0 | 0 | 0 | 105 | | |
| 4 | V | 39.6 | Very low | 39.6 | Very low | 105 Ų | 105 | 135.1 Ų | 135.1 | 64% | 0.636 | 76% | 0.762 | S | S | * | * | | | cis | -152.3 | 131.4 | 47.8 | 172.8 | 0 | 0 | 0 | 0 | 108.6 | F6 | V4-F6 HydrophobicContact CG1-CD2 3.46Å; V4-F6 VanDerWaalsContact CG1-CD2 3.46Å; V4-F6 HydrophobicContact CG1-CE2 3.56Å; V4-F6 HydrophobicContact CG1-CG 4.42Å |
| 5 | I | 35 | Very low | 40.3 | Very low | 145 Ų | 145 | 140.4 Ų | 140.4 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | | | trans | -80 | 115 | 164 | -65.3 | 168.6 | 0 | 0 | 0 | 106.7 | S7 | I5-S7 VanDerWaalsContact CG2-OG 3.31Å; I5-S7 WeakPolarHBondContact CG2-OG 3.48Å |
| 6 | F | 40.8 | Very low | 41.2 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 85% | 0.851 | 77% | 0.771 | S | S | * | * | | | trans | -110.5 | 81.4 | 153 | -87.7 | -76.2 | 0 | 0 | 0 | 107.3 | V4 S8 | V4-F6 HydrophobicContact CG1-CD2 3.46Å; V4-F6 VanDerWaalsContact CG1-CD2 3.46Å; V4-F6 HydrophobicContact CG1-CE2 3.56Å; V4-F6 HydrophobicContact CG1-CG 4.42Å; F6-S8 PolarHBondContact O-N 3.03Å |
| 7 | S | 40.9 | Very low | 42.1 | Very low | 87 Ų | 87 | 145.3 Ų | 145.3 | 61% | 0.608 | 77% | 0.768 | S | S | * | * | | | trans | -74.8 | 95.9 | 158 | -60.8 | 0 | 0 | 0 | 0 | 106.8 | I5 N9 | I5-S7 VanDerWaalsContact CG2-OG 3.31Å; I5-S7 WeakPolarHBondContact CG2-OG 3.48Å; S7-N9 PolarHBondContact O-N 3.29Å |
| 8 | S | 39.9 | Very low | 42.3 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 74% | 0.741 | 77% | 0.769 | S | S | * | * | | | trans | -72.2 | 74.2 | 160.1 | 55.2 | 0 | 0 | 0 | 0 | 108.3 | F6 N10 | F6-S8 PolarHBondContact O-N 3.03Å; S8-N10 PolarHBondContact O-N 3.05Å |
| 9 | N | 40.4 | Very low | 42.8 | Very low | 127 Ų | 127 | 146.5 Ų | 146.5 | 68% | 0.679 | 76% | 0.764 | S | S | * | * | | | trans | -76.2 | 106.7 | 163.3 | -82.1 | -5 | 0 | 0 | 0 | 106.9 | S7 E11 | S7-N9 PolarHBondContact O-N 3.29Å; N9-E11 PolarHBondContact O-N 3.41Å |
| 10 | N | 41.4 | Very low | 43.3 | Very low | 169 Ų | 169 | 147.5 Ų | 147.5 | 90% | 0.904 | 77% | 0.765 | S | S | * | * | | | trans | -64.3 | 50.8 | 166.9 | -87.5 | -15.6 | 0 | 0 | 0 | 111.7 | S8 C12 | S8-N10 PolarHBondContact O-N 3.05Å; N10-C12 VanDerWaalsContact C-N 3.31Å; N10-C12 PolarHBondContact O-N 3.31Å |
| 11 | E | 40.1 | Very low | 44.1 | Very low | 155 Ų | 155 | 147.6 Ų | 147.6 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | | | trans | -103.6 | 54.4 | 174.4 | -143.3 | 161.8 | 172.4 | 0 | 0 | 108 | N9 C13 | N9-E11 PolarHBondContact O-N 3.41Å; E11-C13 PolarHBondContact O-N 3.37Å |
| 12 | C | 39.5 | Very low | 45 | Very low | 130 Ų | 130 | 141.4 Ų | 141.4 | 88% | 0.878 | 74% | 0.736 | S | S | * | * | | | trans | -73.1 | 93.1 | 163.2 | -165.4 | 0 | 0 | 0 | 0 | 106 | N10 D14 | N10-C12 VanDerWaalsContact C-N 3.31Å; N10-C12 PolarHBondContact O-N 3.31Å; C12-D14 PolarHBondContact O-N 3.06Å |
| 13 | C | 43.3 | Very low | 45.9 | Very low | 83 Ų | 83 | 144.5 Ų | 144.5 | 56% | 0.561 | 73% | 0.732 | S | S | * | * | | | trans | -39.6 | 130.9 | -174.1 | -54 | 0 | 0 | 0 | 0 | 112.9 | E11 R15 | E11-C13 PolarHBondContact O-N 3.37Å; C13-R15 HydrophobicContact CB-CB 4.47Å; C13-R15 PolarHBondContact O-N 3.41Å |
| 14 | D | 48.6 | Very low | 46.9 | Very low | 87 Ų | 87 | 142.4 Ų | 142.4 | 47% | 0.465 | 73% | 0.727 | S | S | . | * | | | trans | -58.3 | 64.8 | 153.2 | -165.3 | -10 | 0 | 0 | 0 | 109.5 | C12 K16 K17 | C12-D14 PolarHBondContact O-N 3.06Å; D14-K16 PolarHBondContact O-N 3.19Å; D14-K16 VanDerWaalsContact O-N 3.09Å; D14-K17 PolarHBondContact O-N 3.36Å; D14-K17 WeakPolarHBondContact OD2-CD 3.42Å; D14-K17 WeakPolarHBondContact OD2-CE 3.5Å; D14-K17 IonicContact OD2-NZ 3.18Å; D14-K17 PolarHBondContact OD2-NZ 3.34Å |
| 15 | R | 50.9 | Low | 47.2 | Very low | 214 Ų | 214 | 142.8 Ų | 142.8 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -10.8 | -174.7 | -166.7 | 178.8 | -82.6 | -172.9 | -4.2 | 111.6 | C13 | C13-R15 HydrophobicContact CB-CB 4.47Å; C13-R15 PolarHBondContact O-N 3.41Å |
| 16 | K | 55.2 | Low | 47.7 | Very low | 199 Ų | 199 | 141.4 Ų | 141.4 | 87% | 0.865 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -25.8 | 172 | -86.3 | -175.6 | 170.6 | 176.9 | 0 | 113.3 | D14 | D14-K16 PolarHBondContact O-N 3.19Å; D14-K16 VanDerWaalsContact O-N 3.09Å |
| 17 | K | 55.6 | Low | 48.1 | Very low | 165 Ų | 165 | 139.3 Ų | 139.3 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -16.7 | 179.8 | -71.6 | -169.7 | -168 | 136.9 | 0 | 114.8 | D14 | D14-K17 PolarHBondContact O-N 3.36Å; D14-K17 WeakPolarHBondContact OD2-CD 3.42Å; D14-K17 WeakPolarHBondContact OD2-CE 3.5Å; D14-K17 IonicContact OD2-NZ 3.18Å; D14-K17 PolarHBondContact OD2-NZ 3.34Å |
| 18 | Q | 45.8 | Very low | 48.3 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.7 | 34.4 | 176.5 | -65.1 | -170.3 | 2.5 | 0 | 0 | 113 | E20 | Q18-E20 PolarHBondContact O-N 3.34Š|
| 19 | Q | 52.1 | Low | 48.4 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 68% | 0.682 | 75% | 0.745 | S | S | * | * | | | trans | -72.7 | 77 | 155.9 | -149.8 | 174.9 | 38.1 | 0 | 0 | 106.7 | F21 | Q19-F21 VanDerWaalsContact C-N 3.34Å; Q19-F21 WeakPolarHBondContact O-CD2 2.99Å; Q19-F21 PolarHBondContact O-N 3.49Å |
| 20 | E | 53.3 | Low | 48.8 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 77% | 0.771 | 75% | 0.746 | S | S | * | * | | | trans | -60.5 | 102.2 | 169.4 | -167.2 | 170.8 | -155.6 | 0 | 0 | 105.7 | Q18 T22 | Q18-E20 PolarHBondContact O-N 3.34Å; E20-T22 PolarHBondContact O-N 3.32Å |
| 21 | F | 60.2 | Low | 49.3 | Very low | 150 Ų | 150 | 141 Ų | 141 | 66% | 0.658 | 74% | 0.744 | S | S | * | * | | | trans | -67.6 | 90.2 | 169.3 | -79.9 | -89.7 | 0 | 0 | 0 | 106.5 | Q19 F23 | Q19-F21 VanDerWaalsContact C-N 3.34Å; Q19-F21 WeakPolarHBondContact O-CD2 2.99Å; Q19-F21 PolarHBondContact O-N 3.49Å; F21-F23 VanDerWaalsContact C-N 3.27Å; F21-F23 HydrophobicContact CB-CD2 4.46Å; F21-F23 HydrophobicContact CB-CE2 4.03Å; F21-F23 HydrophobicContact CB-CZ 4.34Å; F21-F23 VanDerWaalsContact O-CD2 3.27Å; F21-F23 WeakPolarHBondContact O-CD2 3.45Å; F21-F23 PolarHBondContact O-N 3.45Å |
| 22 | T | 56.9 | Low | 49.7 | Very low | 119 Ų | 119 | 136.8 Ų | 136.8 | 73% | 0.73 | 74% | 0.743 | S | S | * | * | | | trans | -66.3 | 95.6 | 164.9 | -53.2 | 0 | 0 | 0 | 0 | 106.9 | E20 | E20-T22 PolarHBondContact O-N 3.32Š|
| 23 | F | 52.8 | Low | 50.1 | Low | 161 Ų | 161 | 139 Ų | 139 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 131.9 | 169.4 | -69.6 | -86 | 0 | 0 | 0 | 107.9 | F21 C25 | F21-F23 VanDerWaalsContact C-N 3.27Å; F21-F23 HydrophobicContact CB-CD2 4.46Å; F21-F23 HydrophobicContact CB-CE2 4.03Å; F21-F23 HydrophobicContact CB-CZ 4.34Å; F21-F23 VanDerWaalsContact O-CD2 3.27Å; F21-F23 WeakPolarHBondContact O-CD2 3.45Å; F21-F23 PolarHBondContact O-N 3.45Å; F23-C25 PolarHBondContact O-N 3.47Å; F23-C25 VanDerWaalsContact O-N 3.07Å |
| 24 | P | 53.6 | Low | 50.3 | Low | 115 Ų | 115 | 144.9 Ų | 144.9 | 75% | 0.747 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -53.4 | 121.3 | 168.7 | -19.6 | 29.5 | 0 | 0 | 0 | 108.1 | S26 | P24-S26 PolarHBondContact O-N 3.46Š|
| 25 | C | 44.5 | Very low | 50.7 | Low | 113 Ų | 113 | 145.2 Ų | 145.2 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -52.8 | 125.5 | 174.5 | -69.6 | 0 | 0 | 0 | 0 | 108.1 | F23 D27 | F23-C25 PolarHBondContact O-N 3.47Å; F23-C25 VanDerWaalsContact O-N 3.07Å; C25-D27 PolarHBondContact O-N 3.17Å |
| 26 | S | 46.5 | Very low | 50.7 | Low | 116 Ų | 116 | 140.9 Ų | 140.9 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -73.6 | 26.8 | -164.8 | -52 | 0 | 0 | 0 | 0 | 115.2 | P24 | P24-S26 PolarHBondContact O-N 3.46Š|
| 27 | D | 48.7 | Very low | 50.3 | Low | 150 Ų | 150 | 141.8 Ų | 141.8 | 80% | 0.802 | 76% | 0.756 | S | S | * | * | | | trans | -105.8 | 16.4 | -172.2 | -57.1 | -16.2 | 0 | 0 | 0 | 112.5 | C25 | C25-D27 PolarHBondContact O-N 3.17Š|
| 28 | S | 44.4 | Very low | 49.8 | Very low | 97 Ų | 97 | 139.1 Ų | 139.1 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | | | trans | -135.5 | 91 | 174.3 | -61.4 | 0 | 0 | 0 | 0 | 110.1 | T30 | S28-T30 PolarHBondContact O-N 3.05Š|
| 29 | D | 43.6 | Very low | 49.5 | Very low | 170 Ų | 170 | 135 Ų | 135 | 91% | 0.909 | 75% | 0.748 | S | S | * | * | | | trans | -72.2 | 55.2 | 176.2 | -146.8 | 4.9 | 0 | 0 | 0 | 111.1 | | |
| 30 | T | 48.7 | Very low | 48.9 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 70% | 0.699 | 75% | 0.751 | S | S | * | * | | | trans | -124.1 | 102.7 | 169 | 59.6 | 0 | 0 | 0 | 0 | 107.7 | S28 G32 | S28-T30 PolarHBondContact O-N 3.05Å; T30-G32 PolarHBondContact O-N 3.31Å |
| 31 | V | 51.3 | Low | 48.3 | Very low | 143 Ų | 143 | 136.9 Ų | 136.9 | 87% | 0.867 | 76% | 0.757 | S | S | * | * | | | trans | -39.7 | 100.1 | 163.6 | -75.9 | 0 | 0 | 0 | 0 | 109.6 | Q33 | V31-Q33 VanDerWaalsContact C-N 3.32Å; V31-Q33 PolarHBondContact O-N 3.12Å |
| 32 | G | 47.3 | Very low | 47.2 | Very low | 67 Ų | 67 | 136.1 Ų | 136.1 | 69% | 0.691 | 76% | 0.759 | S | S | * | * | | | trans | -61.7 | 95.7 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109 | T30 F34 | T30-G32 PolarHBondContact O-N 3.31Å; G32-F34 PolarHBondContact O-N 3.48Å |
| 33 | Q | 48 | Very low | 46.3 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 83% | 0.832 | 77% | 0.77 | S | S | * | * | | | trans | -59 | 103.6 | 172.1 | -170.4 | 176.9 | 2.9 | 0 | 0 | 107 | V31 D35 | V31-Q33 VanDerWaalsContact C-N 3.32Å; V31-Q33 PolarHBondContact O-N 3.12Å; Q33-D35 PolarHBondContact O-N 2.85Å |
| 34 | F | 48.9 | Very low | 45.5 | Very low | 206 Ų | 206 | 137.6 Ų | 137.6 | 90% | 0.904 | 77% | 0.772 | S | S | * | * | | | trans | -60.8 | 102.1 | 169.3 | -107.6 | -93 | 0 | 0 | 0 | 107.5 | G32 P36 | G32-F34 PolarHBondContact O-N 3.48Å; F34-P36 VanDerWaalsContact O-CD 3.28Å; F34-P36 WeakPolarHBondContact O-CD 3.4Å |
| 35 | D | 56.2 | Low | 44.3 | Very low | 94 Ų | 94 | 139.3 Ų | 139.3 | 50% | 0.503 | 78% | 0.776 | S | S | . | * | | | trans | -94.8 | 105.1 | 169.2 | -167.6 | -17 | 0 | 0 | 0 | 109.5 | Q33 R37 S38 | Q33-D35 PolarHBondContact O-N 2.85Å; D35-R37 PolarHBondContact O-N 2.75Å; D35-R37 VanDerWaalsContact O-N 3.07Å; D35-R37 PolarHBondContact OD1-N 3.45Å; D35-R37 VanDerWaalsContact OD1-N 3.08Å; D35-S38 PolarHBondContact O-N 2.94Å; D35-S38 PolarHBondContact O-OG 2.75Å |
| 36 | P | 50.8 | Low | 43.9 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 80% | 0.799 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 4.4 | -178.1 | 29 | -34.6 | 0 | 0 | 0 | 114.3 | F34 | F34-P36 VanDerWaalsContact O-CD 3.28Å; F34-P36 WeakPolarHBondContact O-CD 3.4Å |
| 37 | R | 46.5 | Very low | 43.3 | Very low | 217 Ų | 217 | 139.4 Ų | 139.4 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | 9.6 | 175.9 | -56.3 | -156.3 | -156.6 | 125.2 | 1.6 | 115 | D35 S39 | D35-R37 PolarHBondContact O-N 2.75Å; D35-R37 VanDerWaalsContact O-N 3.07Å; D35-R37 PolarHBondContact OD1-N 3.45Å; D35-R37 VanDerWaalsContact OD1-N 3.08Å; R37-S39 VanDerWaalsContact C-N 3.26Å; R37-S39 PolarHBondContact O-N 2.94Å |
| 38 | S | 44.6 | Very low | 42.5 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | | | trans | -74.1 | 85.4 | 169.1 | 47.2 | 0 | 0 | 0 | 0 | 110.1 | D35 | D35-S38 PolarHBondContact O-N 2.94Å; D35-S38 PolarHBondContact O-OG 2.75Å |
| 39 | S | 39.9 | Very low | 42 | Very low | 82 Ų | 82 | 143 Ų | 143 | 57% | 0.573 | 78% | 0.78 | S | S | * | * | | | trans | -69.1 | 160.1 | 166.7 | 56.1 | 0 | 0 | 0 | 0 | 111.2 | R37 | R37-S39 VanDerWaalsContact C-N 3.26Å; R37-S39 PolarHBondContact O-N 2.94Å |
| 40 | E | 40.9 | Very low | 41.4 | Very low | 160 Ų | 160 | 143.6 Ų | 143.6 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | | | trans | 68.2 | 94.6 | 151.6 | -65.1 | 153.9 | 142.3 | 0 | 0 | 116.9 | | |
| 41 | H | 40.2 | Very low | 40.5 | Very low | 190 Ų | 190 | 144.4 Ų | 144.4 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | | | trans | -127.5 | 96.9 | 143.5 | -99.5 | -52.4 | 0 | 0 | 0 | 110.7 | | |
| 42 | D | 37.1 | Very low | 39.7 | Very low | 133 Ų | 133 | 144.3 Ų | 144.3 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | trans | -10.8 | 122.4 | 144.1 | -65.4 | -58.9 | 0 | 0 | 0 | 115.9 | | |
| 43 | F | 38.5 | Very low | 38.9 | Very low | 220 Ų | 220 | 146.4 Ų | 146.4 | 97% | 0.965 | 77% | 0.774 | S | S | * | * | | | trans | -136.3 | 122.7 | 137.7 | -100.1 | -83.1 | 0 | 0 | 0 | 109.5 | | |
| 44 | A | 34.4 | Very low | 38.1 | Very low | 91 Ų | 91 | 146.6 Ų | 146.6 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | | | trans | -89.5 | 151.6 | -173 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 45 | D | 28.8 | Very low | 37.4 | Very low | 152 Ų | 152 | 145 Ų | 145 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | | | trans | 53.9 | 103.1 | 146.7 | -90 | -28.3 | 0 | 0 | 0 | 121.1 | | |
| 46 | S | 37.3 | Very low | 36.3 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | | | | -153.8 | 94.8 | 121.1 | -90.2 | 0 | 0 | 0 | 0 | 112 | | |
| 47 | S | 33.4 | Very low | 35.2 | Very low | 106 Ų | 106 | 144.3 Ų | 144.3 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | | | trans | 51.6 | 117.7 | 132.4 | -160.8 | 0 | 0 | 0 | 0 | 120.7 | | |
| 48 | S | 31.7 | Very low | 34.8 | Very low | 97 Ų | 97 | 140.4 Ų | 140.4 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | | | trans | 85.8 | 93.3 | 141 | -146.1 | 0 | 0 | 0 | 0 | 117.2 | | |
| 49 | R | 32.9 | Very low | 34.3 | Very low | 226 Ų | 226 | 145 Ų | 145 | 85% | 0.853 | 79% | 0.791 | S | S | * | * | | | | 171.4 | 146 | 88.7 | -81.5 | -168.4 | -172.8 | -155.9 | 1.9 | 110.7 | | |
| 50 | H | 32.8 | Very low | 33.8 | Very low | 182 Ų | 182 | 144.2 Ų | 144.2 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | | | trans | 72.5 | 75.5 | 165.9 | -89.6 | -77.2 | 0 | 0 | 0 | 118.6 | | |
| 51 | V | 28.3 | Very low | 33.5 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | | | trans | -88.8 | 148.7 | 145 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 52 | L | 36.1 | Very low | 33.5 | Very low | 141 Ų | 141 | 138.4 Ų | 138.4 | 74% | 0.738 | 80% | 0.801 | S | S | * | * | | | trans | 99.8 | 117.7 | 177.4 | -58.9 | 166.1 | 0 | 0 | 0 | 112.4 | | |
| 53 | T | 29.1 | Very low | 33.8 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 68% | 0.681 | 80% | 0.804 | S | S | * | * | | | cis | -172.4 | 157 | 4.4 | -5.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 54 | K | 32.6 | Very low | 33.7 | Very low | 182 Ų | 182 | 135 Ų | 135 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | | | trans | 63.8 | 93.6 | 152.2 | -75.7 | 176.5 | 173.7 | 176.5 | 0 | 117 | | |
| 55 | N | 33.9 | Very low | 34.6 | Very low | 174 Ų | 174 | 137.8 Ų | 137.8 | 93% | 0.93 | 80% | 0.801 | S | S | * | * | | | | -131.3 | 105.8 | 116.4 | -78.4 | -31.4 | 0 | 0 | 0 | 107.5 | | |
| 56 | A | 32.8 | Very low | 35.5 | Very low | 91 Ų | 91 | 135.9 Ų | 135.9 | 75% | 0.752 | 80% | 0.796 | S | S | * | * | | | trans | -77.5 | 152.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 57 | S | 28.4 | Very low | 35.9 | Very low | 110 Ų | 110 | 141.8 Ų | 141.8 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | | | trans | 72.1 | 103.5 | 165.4 | 175.5 | 0 | 0 | 0 | 0 | 116.3 | | |
| 58 | T | 36.8 | Very low | 37.3 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | | -160 | 130.7 | 102.3 | -56.2 | 0 | 0 | 0 | 0 | 109 | | |
| 59 | F | 34.3 | Very low | 38.3 | Very low | 206 Ų | 206 | 145.3 Ų | 145.3 | 90% | 0.904 | 81% | 0.809 | S | S | * | * | | | trans | -56.7 | 157 | 178.2 | -103.7 | -113.1 | 0 | 0 | 0 | 114.1 | | |
| 60 | G | 29.6 | Very low | 39.3 | Very low | 66 Ų | 66 | 139.9 Ų | 139.9 | 68% | 0.68 | 81% | 0.805 | S | S | * | * | | | trans | -61.9 | 161.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 61 | S | 35.2 | Very low | 40.2 | Very low | 127 Ų | 127 | 136.7 Ų | 136.7 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | | | trans | -152.7 | 69 | 149 | -83.1 | 0 | 0 | 0 | 0 | 106.5 | A63 | S61-A63 PolarHBondContact O-N 3.03Š|
| 62 | A | 40.5 | Very low | 41.5 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | | | trans | -62.3 | 121.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | Q64 | A62-Q64 PolarHBondContact O-N 3.03Å; A62-Q64 VanDerWaalsContact O-N 3.11Å |
| 63 | A | 42.6 | Very low | 42.3 | Very low | 95 Ų | 95 | 135.8 Ų | 135.8 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -43.7 | 112.5 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S61 I65 | S61-A63 PolarHBondContact O-N 3.03Å; A63-I65 PolarHBondContact O-N 3.33Å |
| 64 | Q | 35.6 | Very low | 43.3 | Very low | 188 Ų | 188 | 138 Ų | 138 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | | | trans | -71.4 | 97.5 | 173.3 | -162.6 | 161.5 | 7.2 | 0 | 0 | 107.7 | A62 P66 | A62-Q64 PolarHBondContact O-N 3.03Å; A62-Q64 VanDerWaalsContact O-N 3.11Å; Q64-P66 VanDerWaalsContact O-CD 3.31Å; Q64-P66 WeakPolarHBondContact O-CD 3.45Å |
| 65 | I | 53.1 | Low | 43.7 | Very low | 149 Ų | 149 | 134.1 Ų | 134.1 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | | | trans | -59.6 | 119.2 | 172.9 | -58.8 | 171.7 | 0 | 0 | 0 | 107.1 | A63 R67 | A63-I65 PolarHBondContact O-N 3.33Å; I65-R67 PolarHBondContact O-N 3.35Å |
| 66 | P | 48.6 | Very low | 44 | Very low | 112 Ų | 112 | 132.6 Ų | 132.6 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | | | trans | -61.5 | 112.4 | 177.1 | -18.4 | 30 | 0 | 0 | 0 | 109.2 | Q64 L68 | Q64-P66 VanDerWaalsContact O-CD 3.31Å; Q64-P66 WeakPolarHBondContact O-CD 3.45Å; P66-L68 PolarHBondContact O-N 2.97Å |
| 67 | R | 45.7 | Very low | 44 | Very low | 247 Ų | 247 | 135 Ų | 135 | 93% | 0.932 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 118 | 169.9 | -101 | -172.2 | 173.3 | 129 | -1.7 | 108.3 | I65 | I65-R67 PolarHBondContact O-N 3.35Š|
| 68 | L | 61.9 | Low | 44.5 | Very low | 157 Ų | 157 | 136.8 Ų | 136.8 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -63 | 140.7 | 167.8 | -65.3 | 170.5 | 0 | 0 | 0 | 109.4 | P66 | P66-L68 PolarHBondContact O-N 2.97Š|
| 69 | P | 54.3 | Low | 44.1 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 139.2 | 177.5 | 25.5 | -31.9 | 0 | 0 | 0 | 111.2 | | |
| 70 | S | 53.6 | Low | 43.9 | Very low | 112 Ų | 112 | 135.2 Ų | 135.2 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 141.5 | 176.7 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 71 | P | 51.6 | Low | 44.3 | Very low | 114 Ų | 114 | 137.9 Ų | 137.9 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 147.6 | 179.8 | 25.2 | -33.2 | 0 | 0 | 0 | 111.7 | T73 | P71-T73 PolarHBondContact O-N 3.43Š|
| 72 | P | 54.4 | Low | 44.3 | Very low | 120 Ų | 120 | 135.1 Ų | 135.1 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 124.3 | -177.6 | 25 | -32.6 | 0 | 0 | 0 | 111.2 | I74 | P72-I74 PolarHBondContact O-N 2.96Š|
| 73 | T | 54.6 | Low | 43.9 | Very low | 134 Ų | 134 | 140.8 Ų | 140.8 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | | | trans | -60.5 | 107.5 | 169.5 | -46.6 | 0 | 0 | 0 | 0 | 108.6 | P71 S75 | P71-T73 PolarHBondContact O-N 3.43Å; T73-S75 VanDerWaalsContact C-N 3.31Å; T73-S75 PolarHBondContact O-N 3.17Å |
| 74 | I | 49.8 | Very low | 43.5 | Very low | 158 Ų | 158 | 145.2 Ų | 145.2 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | | | trans | -66.7 | 97.3 | 170 | -62.5 | 173.4 | 0 | 0 | 0 | 106.4 | P72 T76 | P72-I74 PolarHBondContact O-N 2.96Å; I74-T76 PolarHBondContact O-N 3.4Å; I74-T76 VanDerWaalsContact O-N 3.16Å |
| 75 | S | 41.4 | Very low | 43.4 | Very low | 100 Ų | 100 | 144.3 Ų | 144.3 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | | | trans | -62.9 | 113.1 | 169.9 | 38.4 | 0 | 0 | 0 | 0 | 108 | T73 N77 | T73-S75 VanDerWaalsContact C-N 3.31Å; T73-S75 PolarHBondContact O-N 3.17Å; S75-N77 VanDerWaalsContact C-N 3.28Å; S75-N77 PolarHBondContact O-N 2.94Å |
| 76 | T | 39.7 | Very low | 42.7 | Very low | 142 Ų | 142 | 143.8 Ų | 143.8 | 87% | 0.871 | 81% | 0.811 | S | S | * | * | | | trans | -58.6 | 88.8 | 169.9 | 46.1 | 0 | 0 | 0 | 0 | 109.5 | I74 | I74-T76 PolarHBondContact O-N 3.4Å; I74-T76 VanDerWaalsContact O-N 3.16Å |
| 77 | N | 31.5 | Very low | 42.3 | Very low | 140 Ų | 140 | 144 Ų | 144 | 75% | 0.749 | 81% | 0.81 | S | S | * | * | | | trans | -143.5 | 58.6 | 165.4 | -149.1 | -13.4 | 0 | 0 | 0 | 109.7 | S75 | S75-N77 VanDerWaalsContact C-N 3.28Å; S75-N77 PolarHBondContact O-N 2.94Å |
| 78 | V | 39.7 | Very low | 41.9 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | | | trans | -102.4 | 105.9 | 157.9 | -171.4 | 0 | 0 | 0 | 0 | 107 | T80 | V78-T80 PolarHBondContact O-N 3.25Š|
| 79 | K | 29.1 | Very low | 40.7 | Very low | 181 Ų | 181 | 136.7 Ų | 136.7 | 79% | 0.787 | 80% | 0.804 | S | S | * | * | | | trans | -68.2 | 121.1 | 176.4 | -164 | 170 | -178.3 | 177.6 | 0 | 109.2 | | |
| 80 | T | 30.4 | Very low | 39.8 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 79% | 0.785 | 81% | 0.808 | S | S | * | * | | | trans | -1 | 127.3 | 159.6 | 50.8 | 0 | 0 | 0 | 0 | 119.1 | V78 | V78-T80 PolarHBondContact O-N 3.25Š|
| 81 | S | 38.2 | Very low | 38.8 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | trans | -152 | 104.7 | 147 | 166.3 | 0 | 0 | 0 | 0 | 110 | | |
| 82 | G | 33.4 | Very low | 38.6 | Very low | 70 Ų | 70 | 134.4 Ų | 134.4 | 72% | 0.722 | 80% | 0.798 | S | S | * | * | | | trans | 67.1 | 89.7 | 153.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | Q84 | G82-Q84 PolarHBondContact O-N 3.11Å; G82-Q84 VanDerWaalsContact O-N 3.11Å |
| 83 | F | 32.2 | Very low | 38 | Very low | 218 Ų | 218 | 138.1 Ų | 138.1 | 96% | 0.956 | 80% | 0.802 | S | S | * | * | | | trans | -56.4 | 110.7 | 145 | -92.5 | -100.5 | 0 | 0 | 0 | 107.7 | | |
| 84 | Q | 35.5 | Very low | 37.4 | Very low | 188 Ų | 188 | 139.6 Ų | 139.6 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | | | trans | -89.2 | 99 | 155.8 | -94.3 | -169.6 | 26.1 | 0 | 0 | 107.2 | G82 V86 | G82-Q84 PolarHBondContact O-N 3.11Å; G82-Q84 VanDerWaalsContact O-N 3.11Å; Q84-V86 PolarHBondContact O-N 2.98Å |
| 85 | E | 32.8 | Very low | 37 | Very low | 170 Ų | 170 | 139.4 Ų | 139.4 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | | | trans | -59.8 | 117.1 | 163 | -171.9 | 174.8 | 179 | 0 | 0 | 108.2 | T87 | E85-T87 VanDerWaalsContact C-N 3.31Å; E85-T87 PolarHBondContact O-N 3.48Å |
| 86 | V | 38 | Very low | 37.2 | Very low | 137 Ų | 137 | 140.2 Ų | 140.2 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | | | trans | -67.3 | 91.4 | 179.4 | -177.2 | 0 | 0 | 0 | 0 | 107.8 | Q84 S88 | Q84-V86 PolarHBondContact O-N 2.98Å; V86-S88 PolarHBondContact O-N 2.8Å |
| 87 | T | 40.3 | Very low | 37 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 72% | 0.718 | 80% | 0.799 | S | S | * | * | | | trans | -77.8 | 115.2 | 164.7 | -44.5 | 0 | 0 | 0 | 0 | 107.2 | E85 V89 | E85-T87 VanDerWaalsContact C-N 3.31Å; E85-T87 PolarHBondContact O-N 3.48Å; T87-V89 PolarHBondContact O-N 2.98Å; T87-V89 VanDerWaalsContact O-N 3.08Å |
| 88 | S | 37.3 | Very low | 37.6 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 80% | 0.802 | S | S | * | * | | | trans | -40.9 | 106.2 | 176 | -45.7 | 0 | 0 | 0 | 0 | 112.9 | V86 S90 | V86-S88 PolarHBondContact O-N 2.8Å; S88-S90 PolarHBondContact O-N 2.92Å |
| 89 | V | 37.5 | Very low | 37.2 | Very low | 138 Ų | 138 | 137.8 Ų | 137.8 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | | | trans | -92.7 | 98.8 | 163.8 | -175.3 | 0 | 0 | 0 | 0 | 107.8 | T87 | T87-V89 PolarHBondContact O-N 2.98Å; T87-V89 VanDerWaalsContact O-N 3.08Å |
| 90 | S | 34.2 | Very low | 37.5 | Very low | 124 Ų | 124 | 136.9 Ų | 136.9 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | | | trans | -67.4 | 123.2 | 169.2 | 167.2 | 0 | 0 | 0 | 0 | 110.2 | S88 | S88-S90 PolarHBondContact O-N 2.92Š|
| 91 | G | 33.7 | Very low | 37.8 | Very low | 47 Ų | 47 | 135.2 Ų | 135.2 | 49% | 0.485 | 79% | 0.789 | S | S | . | * | S | Bend | trans | 134.3 | 138.3 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | K93 | G91-K93 VanDerWaalsContact C-N 3.28Å; G91-K93 PolarHBondContact O-N 2.94Å |
| 92 | P | 47.2 | Very low | 37.8 | Very low | 128 Ų | 128 | 135.2 Ų | 135.2 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -73.6 | 83.6 | -177.7 | 32.5 | -33.3 | 0 | 0 | 0 | 109.6 | | |
| 93 | K | 41.8 | Very low | 38 | Very low | 198 Ų | 198 | 136.9 Ų | 136.9 | 86% | 0.861 | 79% | 0.793 | S | S | * | * | | | trans | -127 | 15.4 | 168.8 | -83.5 | -170.3 | 174.8 | -177.3 | 0 | 112.9 | G91 | G91-K93 VanDerWaalsContact C-N 3.28Å; G91-K93 PolarHBondContact O-N 2.94Å |
| 94 | L | 42.5 | Very low | 38.2 | Very low | 165 Ų | 165 | 130.1 Ų | 130.1 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | | | trans | -97.9 | 19.9 | 166.7 | -62.5 | -179.6 | 0 | 0 | 0 | 112.7 | V96 | L94-V96 PolarHBondContact O-N 3.47Š|
| 95 | L | 40 | Very low | 38.3 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 81% | 0.812 | 78% | 0.78 | S | S | * | * | | | trans | -72.5 | 83.1 | 152.3 | -72.5 | 170.6 | 0 | 0 | 0 | 106 | E97 | L95-E97 PolarHBondContact O-N 2.96Š|
| 96 | V | 46.1 | Very low | 38.7 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 71% | 0.709 | 78% | 0.778 | S | S | * | * | | | trans | -66.8 | 96.3 | 162.6 | 175.9 | 0 | 0 | 0 | 0 | 105.2 | L94 V98 | L94-V96 PolarHBondContact O-N 3.47Å; V96-V98 HydrophobicContact CG1-CG2 4.02Å; V96-V98 PolarHBondContact O-N 3.41Å |
| 97 | E | 36.9 | Very low | 38.6 | Very low | 162 Ų | 162 | 126.2 Ų | 126.2 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | | | trans | -57.6 | 87 | 166.9 | -170.5 | 176.8 | -168.8 | 0 | 0 | 108 | L95 C99 | L95-E97 PolarHBondContact O-N 2.96Å; E97-C99 HydrophobicContact CG-CB 3.89Å; E97-C99 PolarHBondContact O-N 2.88Å; E97-C99 VanDerWaalsContact O-N 3.15Å |
| 98 | V | 43.4 | Very low | 39 | Very low | 134 Ų | 134 | 126.5 Ų | 126.5 | 81% | 0.812 | 77% | 0.765 | S | S | * | * | | | trans | -81.8 | 73.6 | 159.3 | -174.7 | 0 | 0 | 0 | 0 | 105.9 | V96 | V96-V98 HydrophobicContact CG1-CG2 4.02Å; V96-V98 PolarHBondContact O-N 3.41Å |
| 99 | C | 31.8 | Very low | 39.2 | Very low | 83 Ų | 83 | 125.1 Ų | 125.1 | 56% | 0.561 | 76% | 0.756 | S | S | * | * | | | trans | -93.1 | 133.8 | 166.8 | -80.7 | 0 | 0 | 0 | 0 | 110 | E97 | E97-C99 HydrophobicContact CG-CB 3.89Å; E97-C99 PolarHBondContact O-N 2.88Å; E97-C99 VanDerWaalsContact O-N 3.15Å |
| 100 | D | 34.7 | Very low | 39.5 | Very low | 161 Ų | 161 | 125.9 Ų | 125.9 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | | | trans | 78.8 | 83.4 | 153.9 | -59 | -23.9 | 0 | 0 | 0 | 120.3 | | |
| 101 | A | 37.4 | Very low | 39.8 | Very low | 94 Ų | 94 | 130 Ų | 130 | 78% | 0.777 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -143.3 | 144.3 | 136.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 102 | P | 37.9 | Very low | 40.2 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | | | trans | -78.8 | 147.3 | -136.3 | 30.2 | -34.9 | 0 | 0 | 0 | 114 | A104 | P102-A104 VanDerWaalsContact C-N 3.33Å; P102-A104 PolarHBondContact O-N 3.42Å |
| 103 | A | 37.4 | Very low | 40 | Very low | 105 Ų | 105 | 131.2 Ų | 131.2 | 87% | 0.868 | 76% | 0.764 | S | S | * | * | | | trans | -54.7 | 86.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K105 | A103-K105 PolarHBondContact O-N 3.16Š|
| 104 | A | 35.9 | Very low | 40.1 | Very low | 76 Ų | 76 | 128.1 Ų | 128.1 | 63% | 0.628 | 75% | 0.753 | S | S | * | * | | | trans | -71.2 | 113.4 | 157 | 0 | 0 | 0 | 0 | 0 | 106.9 | P102 I106 | P102-A104 VanDerWaalsContact C-N 3.33Å; P102-A104 PolarHBondContact O-N 3.42Å; A104-I106 VanDerWaalsContact C-N 3.27Å; A104-I106 HydrophobicContact CB-CD1 4.45Å; A104-I106 PolarHBondContact O-N 3.48Å |
| 105 | K | 37.4 | Very low | 40 | Very low | 214 Ų | 214 | 129.6 Ų | 129.6 | 93% | 0.93 | 75% | 0.752 | S | S | * | * | | | trans | -56.1 | 90.1 | 169.8 | -74 | 174.6 | 174.8 | 177.7 | 0 | 109.1 | A103 | A103-K105 PolarHBondContact O-N 3.16Š|
| 106 | I | 42.5 | Very low | 39.9 | Very low | 147 Ų | 147 | 128.9 Ų | 128.9 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | trans | -91.9 | 103.5 | 165.3 | -74.1 | 146 | 0 | 0 | 0 | 105 | A104 | A104-I106 VanDerWaalsContact C-N 3.27Å; A104-I106 HydrophobicContact CB-CD1 4.45Å; A104-I106 PolarHBondContact O-N 3.48Å |
| 107 | G | 35.5 | Very low | 39.6 | Very low | 52 Ų | 52 | 126.3 Ų | 126.3 | 54% | 0.536 | 75% | 0.751 | S | S | . | * | | | trans | -57.4 | 136.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S109 | G107-S109 PolarHBondContact O-N 3.32Š|
| 108 | T | 48.5 | Very low | 39.8 | Very low | 122 Ų | 122 | 123.9 Ų | 123.9 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -68.9 | 57.8 | 173 | 43.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 109 | S | 41.8 | Very low | 39.7 | Very low | 83 Ų | 83 | 122 Ų | 122 | 58% | 0.58 | 75% | 0.745 | S | S | * | * | | | trans | -133.4 | 4.4 | -169.8 | -53.9 | 0 | 0 | 0 | 0 | 115.9 | G107 | G107-S109 PolarHBondContact O-N 3.32Š|
| 110 | D | 43.2 | Very low | 40.2 | Very low | 154 Ų | 154 | 125.9 Ų | 125.9 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | | | trans | -101.4 | 25.4 | 177.8 | -70.5 | -25.1 | 0 | 0 | 0 | 113.8 | | |
| 111 | W | 40.5 | Very low | 40.4 | Very low | 210 Ų | 210 | 121.1 Ų | 121.1 | 80% | 0.795 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -94.5 | 115.9 | 160.2 | -80.3 | 97.7 | 0 | 0 | 0 | 109 | G113 E114 | W111-G113 PolarHBondContact O-N 3.46Å; W111-E114 PolarHBondContact O-N 2.97Å |
| 112 | P | 42.6 | Very low | 40.9 | Very low | 131 Ų | 131 | 124.4 Ų | 124.4 | 85% | 0.851 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | 97.7 | 178.9 | 28.3 | -32.2 | 0 | 0 | 0 | 108.5 | | |
| 113 | G | 43 | Very low | 41.8 | Very low | 71 Ų | 71 | 123.3 Ų | 123.3 | 73% | 0.732 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 150.7 | -19.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | W111 K115 | W111-G113 PolarHBondContact O-N 3.46Å; G113-K115 PolarHBondContact O-N 3.34Å |
| 114 | E | 42.3 | Very low | 42.7 | Very low | 132 Ų | 132 | 126.7 Ų | 126.7 | 62% | 0.617 | 74% | 0.736 | S | S | * | * | | | trans | -82.2 | 73.1 | 177.3 | -158.5 | 172.4 | 176.3 | 0 | 0 | 110.3 | W111 V116 | W111-E114 PolarHBondContact O-N 2.97Å; E114-V116 PolarHBondContact O-N 2.78Å |
| 115 | K | 40.8 | Very low | 43.5 | Very low | 196 Ų | 196 | 132 Ų | 132 | 85% | 0.852 | 75% | 0.745 | S | S | * | * | | | trans | -62.8 | 103.3 | 165.1 | -74.5 | -105 | -178.6 | 173.5 | 0 | 107.5 | G113 G117 | G113-K115 PolarHBondContact O-N 3.34Å; K115-G117 PolarHBondContact O-N 3.37Å |
| 116 | V | 39.2 | Very low | 44.4 | Very low | 141 Ų | 141 | 124.4 Ų | 124.4 | 86% | 0.855 | 72% | 0.719 | S | S | * | * | | | trans | -52.5 | 100.6 | 163.9 | 179.6 | 0 | 0 | 0 | 0 | 108.2 | E114 | E114-V116 PolarHBondContact O-N 2.78Š|
| 117 | G | 38.8 | Very low | 44.8 | Very low | 63 Ų | 63 | 122.6 Ų | 122.6 | 65% | 0.649 | 71% | 0.71 | S | S | * | * | | | trans | -176.3 | 90.3 | -174 | 0 | 0 | 0 | 0 | 0 | 111.3 | K115 S119 | K115-G117 PolarHBondContact O-N 3.37Å; G117-S119 PolarHBondContact O-N 2.97Å |
| 118 | S | 40.4 | Very low | 45.8 | Very low | 110 Ų | 110 | 128.6 Ų | 128.6 | 77% | 0.769 | 72% | 0.722 | S | S | * | * | | | trans | -23.4 | 122.4 | 165.7 | -165.4 | 0 | 0 | 0 | 0 | 115.6 | | |
| 119 | S | 41.9 | Very low | 46.1 | Very low | 94 Ų | 94 | 128 Ų | 128 | 66% | 0.657 | 72% | 0.718 | S | S | * | * | | | trans | 47 | 86.3 | 142.2 | 64.2 | 0 | 0 | 0 | 0 | 119.1 | G117 | G117-S119 PolarHBondContact O-N 2.97Š|
| 120 | I | 42 | Very low | 46.6 | Very low | 166 Ų | 166 | 128.6 Ų | 128.6 | 85% | 0.851 | 72% | 0.722 | S | S | * | * | | | | -142.6 | 83.3 | 127 | -63.1 | 98.8 | 0 | 0 | 0 | 106.2 | | |
| 121 | G | 39.8 | Very low | 46.9 | Very low | 61 Ų | 61 | 126.1 Ų | 126.1 | 63% | 0.629 | 72% | 0.717 | S | S | * | * | | | trans | -72.4 | 154.4 | 157.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 122 | I | 48.2 | Very low | 47.3 | Very low | 163 Ų | 163 | 120.3 Ų | 120.3 | 84% | 0.836 | 71% | 0.708 | S | S | * | * | S | Bend | trans | 73.4 | 87.8 | 177.2 | 68.2 | 149.9 | 0 | 0 | 0 | 116.9 | | |
| 123 | D | 55.6 | Low | 47.4 | Very low | 99 Ų | 99 | 123.4 Ų | 123.4 | 53% | 0.529 | 71% | 0.708 | S | S | . | * | S | Bend | | -166.3 | -4.8 | 121.9 | -143.5 | 17.7 | 0 | 0 | 0 | 116.2 | F125 S126 | D123-F125 PolarHBondContact O-N 3.38Å; D123-S126 PolarHBondContact O-N 3.03Å; D123-S126 WeakPolarHBondContact OD1-CB 3.48Å; D123-S126 PolarHBondContact OD1-OG 2.84Å |
| 124 | E | 57.4 | Low | 47.9 | Very low | 176 Ų | 176 | 123.8 Ų | 123.8 | 82% | 0.822 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -72.8 | -31.6 | -176.3 | -152.9 | 164.9 | -156.9 | 0 | 0 | 112.6 | | |
| 125 | F | 52.8 | Low | 48.3 | Very low | 188 Ų | 188 | 123.2 Ų | 123.2 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -74.1 | -25.3 | 173.3 | -93.5 | -86.5 | 0 | 0 | 0 | 113.7 | D123 N127 F128 | D123-F125 PolarHBondContact O-N 3.38Å; F125-N127 VanDerWaalsContact C-N 3.3Å; F125-N127 PolarHBondContact O-N 3.49Å; F125-F128 PolarHBondContact O-N 2.97Å |
| 126 | S | 54.6 | Low | 48.8 | Very low | 54 Ų | 54 | 122.5 Ų | 122.5 | 38% | 0.378 | 71% | 0.712 | S | S | . | * | H | α-helix | trans | -68.4 | -32.7 | 176.6 | -50.2 | 0 | 0 | 0 | 0 | 111.8 | D123 S130 | D123-S126 PolarHBondContact O-N 3.03Å; D123-S126 WeakPolarHBondContact OD1-CB 3.48Å; D123-S126 PolarHBondContact OD1-OG 2.84Å; S126-S130 WeakPolarHBondContact O-CB 3.32Å; S126-S130 PolarHBondContact O-N 3.44Å; S126-S130 VanDerWaalsContact O-N 3.16Å; S126-S130 PolarHBondContact O-OG 3.08Å |
| 127 | N | 52 | Low | 49.5 | Very low | 108 Ų | 108 | 120.5 Ų | 120.5 | 58% | 0.578 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -70.1 | -30.5 | 178.3 | -83.7 | -26.4 | 0 | 0 | 0 | 112.9 | F125 S131 | F125-N127 VanDerWaalsContact C-N 3.3Å; F125-N127 PolarHBondContact O-N 3.49Å; N127-S131 PolarHBondContact O-N 3.39Å |
| 128 | F | 55.4 | Low | 50.4 | Low | 178 Ų | 178 | 123.2 Ų | 123.2 | 78% | 0.781 | 70% | 0.701 | S | S | * | * | H | α-helix | trans | -69.2 | -35.1 | 178.8 | -162.6 | -97.3 | 0 | 0 | 0 | 112.4 | F125 | F125-F128 PolarHBondContact O-N 2.97Å |
| 129 | V | 56.2 | Low | 51.3 | Low | 109 Ų | 109 | 126.2 Ų | 126.2 | 66% | 0.661 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -80.9 | -39.1 | 179.6 | -174.4 | 0 | 0 | 0 | 0 | 111.4 | S131 S132 | V129-S131 PolarHBondContact O-N 2.93Å; V129-S132 PolarHBondContact O-OG 2.96Å |
| 130 | S | 51 | Low | 52.1 | Low | 96 Ų | 96 | 130.9 Ų | 130.9 | 67% | 0.671 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -74.7 | -24.6 | -171.8 | -55.9 | 0 | 0 | 0 | 0 | 114.4 | S126 S132 | S126-S130 WeakPolarHBondContact O-CB 3.32Å; S126-S130 PolarHBondContact O-N 3.44Å; S126-S130 VanDerWaalsContact O-N 3.16Å; S126-S130 PolarHBondContact O-OG 3.08Å; S130-S132 VanDerWaalsContact C-N 3.33Å |
| 131 | S | 50.3 | Low | 52.7 | Low | 103 Ų | 103 | 129.4 Ų | 129.4 | 72% | 0.72 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | 5.4 | -178.7 | -148 | 0 | 0 | 0 | 0 | 114.1 | N127 V129 K133 | N127-S131 PolarHBondContact O-N 3.39Å; V129-S131 PolarHBondContact O-N 2.93Å; S131-K133 PolarHBondContact O-N 2.87Å |
| 132 | S | 48 | Very low | 53.2 | Low | 87 Ų | 87 | 134 Ų | 134 | 61% | 0.608 | 71% | 0.708 | S | S | * | * | | | trans | -79.5 | 50.2 | 178.1 | 67.2 | 0 | 0 | 0 | 0 | 112.9 | V129 S130 A134 | V129-S132 PolarHBondContact O-OG 2.96Å; S130-S132 VanDerWaalsContact C-N 3.33Å; S132-A134 PolarHBondContact O-N 3Å |
| 133 | K | 45.8 | Very low | 53 | Low | 197 Ų | 197 | 131.9 Ų | 131.9 | 86% | 0.857 | 70% | 0.699 | S | S | * | * | | | trans | -76.5 | 69.8 | 151 | -161.9 | 145.4 | -176.3 | 171.7 | 0 | 106.7 | S131 P135 | S131-K133 PolarHBondContact O-N 2.87Å; K133-P135 WeakPolarHBondContact O-CD 3.48Å |
| 134 | A | 53.3 | Low | 53 | Low | 78 Ų | 78 | 134.2 Ų | 134.2 | 65% | 0.645 | 71% | 0.71 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 123.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 107 | S132 E136 | S132-A134 PolarHBondContact O-N 3Å; A134-E136 PolarHBondContact O-N 2.99Å |
| 135 | P | 51.8 | Low | 52.4 | Low | 120 Ų | 120 | 128.9 Ų | 128.9 | 78% | 0.779 | 70% | 0.702 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 118.9 | 174 | 20.4 | -26.7 | 0 | 0 | 0 | 107.2 | K133 | K133-P135 WeakPolarHBondContact O-CD 3.48Š|
| 136 | E | 49.5 | Very low | 52.1 | Low | 182 Ų | 182 | 123.6 Ų | 123.6 | 85% | 0.85 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 122 | 175.2 | -162 | 178 | -159.8 | 0 | 0 | 107 | A134 D138 | A134-E136 PolarHBondContact O-N 2.99Å; E136-D138 PolarHBondContact O-N 2.88Å; E136-D138 VanDerWaalsContact O-N 3.13Å |
| 137 | P | 53.8 | Low | 51.6 | Low | 98 Ų | 98 | 124.7 Ų | 124.7 | 64% | 0.636 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 118.1 | -175.1 | 24.4 | -31.7 | 0 | 0 | 0 | 109 | E139 | P137-E139 PolarHBondContact O-N 3.02Š|
| 138 | D | 58 | Low | 51.2 | Low | 121 Ų | 121 | 125.6 Ų | 125.6 | 65% | 0.647 | 72% | 0.719 | S | S | * | * | | | trans | -69.3 | 96.5 | 178.8 | -135.9 | -9.8 | 0 | 0 | 0 | 108.2 | E136 K140 N141 | E136-D138 PolarHBondContact O-N 2.88Å; E136-D138 VanDerWaalsContact O-N 3.13Å; D138-K140 PolarHBondContact O-N 3.05Å; D138-N141 PolarHBondContact O-N 3.38Å; D138-N141 VanDerWaalsContact O-N 3.15Å |
| 139 | E | 59.4 | Low | 50.9 | Low | 172 Ų | 172 | 121 Ų | 121 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -57.1 | -16.4 | -172.5 | -61.9 | -171.9 | 166.2 | 0 | 0 | 113.3 | P137 N141 F142 | P137-E139 PolarHBondContact O-N 3.02Å; E139-N141 VanDerWaalsContact C-N 3.29Å; E139-N141 PolarHBondContact O-N 2.89Å; E139-F142 PolarHBondContact O-N 3.15Å |
| 140 | K | 60.2 | Low | 50 | Low | 193 Ų | 193 | 122.2 Ų | 122.2 | 84% | 0.839 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -72 | -16.5 | 179.8 | -61.6 | -147.1 | 179 | -174.3 | 0 | 115 | D138 | D138-K140 PolarHBondContact O-N 3.05Š|
| 141 | N | 54.3 | Low | 49.8 | Very low | 134 Ų | 134 | 125.8 Ų | 125.8 | 72% | 0.717 | 71% | 0.711 | S | S | * | * | G | 310 helix | trans | -103.1 | 1.9 | 178.7 | -63.5 | -43.5 | 0 | 0 | 0 | 113 | D138 E139 D143 | D138-N141 PolarHBondContact O-N 3.38Å; D138-N141 VanDerWaalsContact O-N 3.15Å; E139-N141 VanDerWaalsContact C-N 3.29Å; E139-N141 PolarHBondContact O-N 2.89Å; N141-D143 PolarHBondContact O-N 2.79Å; N141-D143 VanDerWaalsContact O-N 3.09Å |
| 142 | F | 48.8 | Very low | 49.3 | Very low | 158 Ų | 158 | 127.2 Ų | 127.2 | 69% | 0.693 | 72% | 0.716 | S | S | * | * | | | trans | -88.3 | 61.7 | 178.3 | -124.6 | -92.3 | 0 | 0 | 0 | 110.4 | E139 I144 | E139-F142 PolarHBondContact O-N 3.15Å; F142-I144 VanDerWaalsContact C-N 3.29Å; F142-I144 HydrophobicContact CD1-CD1 3.77Å; F142-I144 HydrophobicContact CD1-CG1 3.59Å; F142-I144 HydrophobicContact CE1-CD1 4.16Å; F142-I144 HydrophobicContact CE1-CG1 4.11Å; F142-I144 PolarHBondContact O-N 2.87Å |
| 143 | D | 44.4 | Very low | 48.7 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 63% | 0.631 | 72% | 0.72 | S | S | * | * | | | trans | -76.7 | 83.1 | 172.2 | -165 | -4.4 | 0 | 0 | 0 | 109.5 | N141 G145 A146 | N141-D143 PolarHBondContact O-N 2.79Å; N141-D143 VanDerWaalsContact O-N 3.09Å; D143-G145 PolarHBondContact O-N 2.78Å; D143-G145 PolarHBondContact OD1-N 2.81Å; D143-G145 VanDerWaalsContact OD1-N 3.08Å; D143-A146 WeakPolarHBondContact OD2-CB 3.4Å |
| 144 | I | 55.6 | Low | 48.5 | Very low | 149 Ų | 149 | 126.6 Ų | 126.6 | 76% | 0.764 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.6 | -10.3 | 173.9 | -53.8 | 174.4 | 0 | 0 | 0 | 110.5 | F142 | F142-I144 VanDerWaalsContact C-N 3.29Å; F142-I144 HydrophobicContact CD1-CD1 3.77Å; F142-I144 HydrophobicContact CD1-CG1 3.59Å; F142-I144 HydrophobicContact CE1-CD1 4.16Å; F142-I144 HydrophobicContact CE1-CG1 4.11Å; F142-I144 PolarHBondContact O-N 2.87Å |
| 145 | G | 45 | Very low | 47.8 | Very low | 64 Ų | 64 | 127.4 Ų | 127.4 | 66% | 0.66 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | -19.4 | -167.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | D143 | D143-G145 PolarHBondContact O-N 2.78Å; D143-G145 PolarHBondContact OD1-N 2.81Å; D143-G145 VanDerWaalsContact OD1-N 3.08Å |
| 146 | A | 47.4 | Very low | 46.9 | Very low | 76 Ų | 76 | 124.8 Ų | 124.8 | 63% | 0.628 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -98.3 | -3.7 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | D143 | D143-A146 WeakPolarHBondContact OD2-CB 3.4Š|
| 147 | A | 44 | Very low | 46.1 | Very low | 78 Ų | 78 | 122.7 Ų | 122.7 | 65% | 0.645 | 72% | 0.72 | S | S | * | * | | | trans | -132.3 | 64 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | V149 | A147-V149 HydrophobicContact CB-CG2 3.83Å; A147-V149 PolarHBondContact O-N 3.17Å |
| 148 | C | 43.7 | Very low | 45.3 | Very low | 127 Ų | 127 | 125 Ų | 125 | 86% | 0.858 | 73% | 0.728 | S | S | * | * | | | trans | -65.9 | 78.3 | 146.8 | -68.6 | 0 | 0 | 0 | 0 | 107.2 | D150 | C148-D150 PolarHBondContact O-N 2.87Å; C148-D150 VanDerWaalsContact O-N 3.09Å |
| 149 | V | 49 | Very low | 44.3 | Very low | 80 Ų | 80 | 124.6 Ų | 124.6 | 49% | 0.485 | 74% | 0.741 | S | S | . | * | | | trans | -69.5 | 106.7 | 173.8 | -165 | 0 | 0 | 0 | 0 | 106 | A147 F151 | A147-V149 HydrophobicContact CB-CG2 3.83Å; A147-V149 PolarHBondContact O-N 3.17Å; V149-F151 WeakPolarHBondContact O-CD2 3.49Å; V149-F151 VanDerWaalsContact O-CE2 3.3Å; V149-F151 WeakPolarHBondContact O-CE2 3.5Å; V149-F151 PolarHBondContact O-N 3.28Å |
| 150 | D | 37.6 | Very low | 43 | Very low | 136 Ų | 136 | 120.9 Ų | 120.9 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | | | trans | -60.3 | 107.8 | 168.3 | -89.9 | -32.7 | 0 | 0 | 0 | 108.2 | C148 T152 | C148-D150 PolarHBondContact O-N 2.87Å; C148-D150 VanDerWaalsContact O-N 3.09Å; D150-T152 PolarHBondContact O-N 2.99Å |
| 151 | F | 45 | Very low | 41.7 | Very low | 170 Ų | 170 | 117.2 Ų | 117.2 | 75% | 0.746 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 19.4 | -174.8 | -73 | -83.7 | 0 | 0 | 0 | 114.4 | V149 F154 | V149-F151 WeakPolarHBondContact O-CD2 3.49Å; V149-F151 VanDerWaalsContact O-CE2 3.3Å; V149-F151 WeakPolarHBondContact O-CE2 3.5Å; V149-F151 PolarHBondContact O-N 3.28Å; F151-F154 HydrophobicContact CD1-CE2 4.23Å |
| 152 | T | 40.1 | Very low | 40.6 | Very low | 134 Ų | 134 | 119.9 Ų | 119.9 | 82% | 0.822 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | -1 | -178.7 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | D150 | D150-T152 PolarHBondContact O-N 2.99Š|
| 153 | S | 35.3 | Very low | 39.7 | Very low | 97 Ų | 97 | 120.4 Ų | 120.4 | 68% | 0.678 | 75% | 0.745 | S | S | * | * | | | trans | -121.6 | 72.7 | -179.3 | -175.4 | 0 | 0 | 0 | 0 | 112.8 | | |
| 154 | F | 42.2 | Very low | 39.1 | Very low | 174 Ų | 174 | 122.7 Ų | 122.7 | 76% | 0.763 | 75% | 0.754 | S | S | * | * | | | trans | -114.6 | 68.5 | 159.7 | -73.7 | -81 | 0 | 0 | 0 | 109.2 | F151 | F151-F154 HydrophobicContact CD1-CE2 4.23Š|
| 155 | A | 39 | Very low | 38.1 | Very low | 94 Ų | 94 | 125.3 Ų | 125.3 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | | | trans | -96.5 | 112.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 156 | G | 31.8 | Very low | 37.4 | Very low | 66 Ų | 66 | 131.3 Ų | 131.3 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | | | trans | 64.3 | 94.3 | 153.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 157 | C | 34.4 | Very low | 36.7 | Very low | 137 Ų | 137 | 136.3 Ų | 136.3 | 93% | 0.926 | 78% | 0.781 | S | S | * | * | | | trans | -123.4 | 92.7 | 145.1 | -87.6 | 0 | 0 | 0 | 0 | 107.6 | A159 | C157-A159 PolarHBondContact O-N 3.13Š|
| 158 | D | 35.1 | Very low | 36.1 | Very low | 148 Ų | 148 | 139 Ų | 139 | 79% | 0.791 | 79% | 0.789 | S | S | * | * | | | trans | -56.1 | 127.1 | 168.6 | -75.8 | -51 | 0 | 0 | 0 | 110 | S160 | D158-S160 VanDerWaalsContact C-N 3.31Å; D158-S160 PolarHBondContact O-N 2.93Å |
| 159 | A | 36.9 | Very low | 35.7 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 92% | 0.917 | 79% | 0.786 | S | S | * | * | | | trans | -68.5 | 87.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | C157 | C157-A159 PolarHBondContact O-N 3.13Š|
| 160 | S | 32.8 | Very low | 34.8 | Very low | 95 Ų | 95 | 143.5 Ų | 143.5 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | | | trans | -147 | 126.4 | 159 | 69.3 | 0 | 0 | 0 | 0 | 111.3 | D158 | D158-S160 VanDerWaalsContact C-N 3.31Å; D158-S160 PolarHBondContact O-N 2.93Å |
| 161 | S | 32.3 | Very low | 34.9 | Very low | 115 Ų | 115 | 143.3 Ų | 143.3 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | | | trans | 86.6 | 91.7 | 160.2 | -45.2 | 0 | 0 | 0 | 0 | 118.6 | | |
| 162 | Q | 31.4 | Very low | 34.4 | Very low | 191 Ų | 191 | 141.7 Ų | 141.7 | 89% | 0.893 | 80% | 0.803 | S | S | * | * | | | trans | 160.3 | 88 | 133.2 | -93.7 | -173.6 | -18.7 | 0 | 0 | 107.1 | | |
| 163 | E | 31.7 | Very low | 34.1 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | | | | 43.7 | 110 | 67.5 | -122.4 | -169.8 | 148.2 | 0 | 0 | 115.1 | | |
| 164 | M | 31.6 | Very low | 34.3 | Very low | 166 Ų | 166 | 144 Ų | 144 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | 53.5 | 99.9 | 159.4 | -62.5 | -160.1 | -166.5 | 0 | 0 | 119.7 | | |
| 165 | K | 33.5 | Very low | 33.9 | Very low | 204 Ų | 204 | 141.5 Ų | 141.5 | 89% | 0.887 | 81% | 0.805 | S | S | * | * | | | | -160.4 | 117.9 | 120.7 | -107.3 | 170.2 | -173.7 | -175.8 | 0 | 110.8 | H167 | K165-H167 PolarHBondContact O-N 3.05Š|
| 166 | Q | 30 | Very low | 33.7 | Very low | 190 Ų | 190 | 142.2 Ų | 142.2 | 89% | 0.888 | 80% | 0.801 | S | S | * | * | | | trans | -53.7 | 117.6 | 166.5 | -66 | 168.3 | -19.9 | 0 | 0 | 109.5 | | |
| 167 | H | 33.2 | Very low | 33.8 | Very low | 180 Ų | 180 | 145 Ų | 145 | 83% | 0.833 | 81% | 0.805 | S | S | * | * | | | trans | -156 | 121.9 | 147.4 | -93.5 | -66.9 | 0 | 0 | 0 | 109.7 | K165 F169 | K165-H167 PolarHBondContact O-N 3.05Å; H167-F169 PolarHBondContact O-N 3.1Å |
| 168 | T | 31.4 | Very low | 33.4 | Very low | 134 Ų | 134 | 144.1 Ų | 144.1 | 82% | 0.822 | 80% | 0.799 | S | S | * | * | | | trans | -50.8 | 109.1 | 170.2 | -52.9 | 0 | 0 | 0 | 0 | 111.9 | | |
| 169 | F | 35.4 | Very low | 33.3 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 79% | 0.789 | 80% | 0.8 | S | S | * | * | | | trans | -142.7 | 142.5 | 147.9 | -86.3 | -80 | 0 | 0 | 0 | 107.4 | H167 V171 | H167-F169 PolarHBondContact O-N 3.1Å; F169-V171 PolarHBondContact O-N 2.71Å |
| 170 | P | 31.1 | Very low | 32.9 | Very low | 123 Ų | 123 | 148.5 Ų | 148.5 | 80% | 0.799 | 80% | 0.8 | S | S | * | * | | | trans | -65.5 | 111.8 | -177.9 | 26.4 | -30.8 | 0 | 0 | 0 | 108.9 | D172 | P170-D172 PolarHBondContact O-N 3.38Å; P170-D172 VanDerWaalsContact O-N 3.13Å |
| 171 | V | 38.7 | Very low | 33.1 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 80% | 0.8 | 81% | 0.808 | S | S | * | * | | | trans | -66.1 | 111 | 167.7 | 171.9 | 0 | 0 | 0 | 0 | 106.6 | F169 | F169-V171 PolarHBondContact O-N 2.71Š|
| 172 | D | 33.8 | Very low | 33.2 | Very low | 136 Ų | 136 | 149.9 Ų | 149.9 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | trans | -41.8 | 131.7 | 168.2 | -148.8 | 5.7 | 0 | 0 | 0 | 109.5 | P170 M174 | P170-D172 PolarHBondContact O-N 3.38Å; P170-D172 VanDerWaalsContact O-N 3.13Å; D172-M174 PolarHBondContact O-N 3.15Å |
| 173 | P | 35.6 | Very low | 33.2 | Very low | 107 Ų | 107 | 150.7 Ų | 150.7 | 70% | 0.695 | 81% | 0.811 | S | S | * | * | | | trans | -56.6 | 112.3 | -175 | 21.2 | -33.5 | 0 | 0 | 0 | 110.4 | T175 | P173-T175 PolarHBondContact O-N 2.9Š|
| 174 | M | 37.8 | Very low | 33.3 | Very low | 171 Ų | 171 | 147.1 Ų | 147.1 | 84% | 0.842 | 81% | 0.809 | S | S | * | * | | | trans | -51.1 | 106.7 | 164 | -90.7 | -114.3 | -82.4 | 0 | 0 | 108.1 | D172 | D172-M174 PolarHBondContact O-N 3.15Š|
| 175 | T | 35.2 | Very low | 33.4 | Very low | 123 Ų | 123 | 149.9 Ų | 149.9 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | | | trans | -59.7 | 139.3 | 172.8 | 45.8 | 0 | 0 | 0 | 0 | 109.4 | P173 | P173-T175 PolarHBondContact O-N 2.9Š|
| 176 | P | 33.1 | Very low | 33.3 | Very low | 109 Ų | 109 | 148 Ų | 148 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | | | trans | -67.3 | 135.2 | -154.9 | 24.9 | -34.6 | 0 | 0 | 0 | 113.5 | C178 | P176-C178 VanDerWaalsContact C-N 3.33Å; P176-C178 PolarHBondContact O-N 3.43Å |
| 177 | T | 34.4 | Very low | 33.5 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 76% | 0.761 | 81% | 0.809 | S | S | * | * | | | trans | -59.5 | 87.1 | 166 | -45.1 | 0 | 0 | 0 | 0 | 110.4 | L179 | T177-L179 PolarHBondContact O-N 2.75Š|
| 178 | C | 27.6 | Very low | 33.7 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 80% | 0.804 | 81% | 0.805 | S | S | * | * | | | trans | -83.9 | 94.7 | 164.9 | -81.7 | 0 | 0 | 0 | 0 | 109.5 | P176 Q180 | P176-C178 VanDerWaalsContact C-N 3.33Å; P176-C178 PolarHBondContact O-N 3.43Å; C178-Q180 PolarHBondContact O-N 3.11Å |
| 179 | L | 32.6 | Very low | 34.1 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | | | trans | -46.9 | 107.9 | 163.5 | -72.3 | 158.5 | 0 | 0 | 0 | 111.7 | T177 | T177-L179 PolarHBondContact O-N 2.75Š|
| 180 | Q | 28.2 | Very low | 34.3 | Very low | 196 Ų | 196 | 135.6 Ų | 135.6 | 92% | 0.916 | 80% | 0.799 | S | S | * | * | | | trans | -155.5 | 80.9 | 152.5 | -74.7 | -154.9 | -27.4 | 0 | 0 | 110.8 | C178 | C178-Q180 PolarHBondContact O-N 3.11Š|
| 181 | S | 36.8 | Very low | 34.8 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -131.4 | 99.7 | 153.7 | 65.2 | 0 | 0 | 0 | 0 | 109.5 | K183 | S181-K183 PolarHBondContact O-N 3.38Å; S181-K183 VanDerWaalsContact O-N 3.11Å |
| 182 | S | 34.5 | Very low | 34.8 | Very low | 121 Ų | 121 | 138 Ų | 138 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | | | trans | -46.6 | 107.5 | 168.9 | -52.7 | 0 | 0 | 0 | 0 | 111.1 | | |
| 183 | K | 31.9 | Very low | 35 | Very low | 208 Ų | 208 | 136.3 Ų | 136.3 | 90% | 0.904 | 80% | 0.803 | S | S | * | * | | | trans | 161.7 | 78.5 | 139.4 | -80 | -121.1 | -175.1 | 178 | 0 | 110.9 | S181 | S181-K183 PolarHBondContact O-N 3.38Å; S181-K183 VanDerWaalsContact O-N 3.11Å |
| 184 | A | 34 | Very low | 35 | Very low | 93 Ų | 93 | 136.1 Ų | 136.1 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -162.6 | 94.7 | 150 | 0 | 0 | 0 | 0 | 0 | 108.3 | E186 | A184-E186 PolarHBondContact O-N 3.02Š|
| 185 | F | 33.2 | Very low | 35.5 | Very low | 225 Ų | 225 | 132.7 Ų | 132.7 | 99% | 0.987 | 79% | 0.787 | S | S | * | * | | | trans | -69.6 | 89.6 | 159.4 | -100.9 | -90.4 | 0 | 0 | 0 | 106.5 | | |
| 186 | E | 31.8 | Very low | 35.9 | Very low | 165 Ų | 165 | 135.4 Ų | 135.4 | 77% | 0.771 | 79% | 0.788 | S | S | * | * | | | trans | -151.4 | 98.9 | 160.4 | -128.2 | 171.8 | -177.6 | 0 | 0 | 109.5 | A184 N188 | A184-E186 PolarHBondContact O-N 3.02Å; E186-N188 PolarHBondContact O-N 3.23Å |
| 187 | S | 32.4 | Very low | 36.5 | Very low | 118 Ų | 118 | 137 Ų | 137 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | | | trans | -64.4 | 108.7 | 171.2 | 136.6 | 0 | 0 | 0 | 0 | 108.6 | | |
| 188 | N | 39.3 | Very low | 36.7 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 79% | 0.794 | S | S | * | * | | | trans | -119.8 | 116.5 | 155.9 | -76.3 | -61.2 | 0 | 0 | 0 | 107.7 | E186 G190 | E186-N188 PolarHBondContact O-N 3.23Å; N188-G190 PolarHBondContact O-N 3.25Å |
| 189 | A | 38.6 | Very low | 37.1 | Very low | 101 Ų | 101 | 137.8 Ų | 137.8 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | | | trans | -58.3 | 91.2 | -177 | 0 | 0 | 0 | 0 | 0 | 111.5 | V191 | A189-V191 PolarHBondContact O-N 2.92Š|
| 190 | G | 39.9 | Very low | 37.4 | Very low | 63 Ų | 63 | 135.7 Ų | 135.7 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | | | trans | -80.3 | 109.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | N188 L192 | N188-G190 PolarHBondContact O-N 3.25Å; G190-L192 PolarHBondContact O-N 3.23Å |
| 191 | V | 40.6 | Very low | 37.8 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | trans | -53.7 | 102.9 | 174.2 | 175 | 0 | 0 | 0 | 0 | 108.9 | A189 S193 | A189-V191 PolarHBondContact O-N 2.92Å; V191-S193 PolarHBondContact O-N 3.32Å |
| 192 | L | 40.6 | Very low | 37.5 | Very low | 170 Ų | 170 | 133.5 Ų | 133.5 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | | | trans | -77.8 | 105.8 | 166 | -79 | 163.8 | 0 | 0 | 0 | 106.7 | G190 D194 | G190-L192 PolarHBondContact O-N 3.23Å; L192-D194 PolarHBondContact O-N 3.07Å |
| 193 | S | 37.8 | Very low | 37.2 | Very low | 99 Ų | 99 | 133.7 Ų | 133.7 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | | | trans | -55.1 | 133.9 | 171.7 | -4.8 | 0 | 0 | 0 | 0 | 109.6 | V191 P195 | V191-S193 PolarHBondContact O-N 3.32Å; S193-P195 WeakPolarHBondContact O-CD 3.29Å |
| 194 | D | 35.5 | Very low | 37.2 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 56% | 0.556 | 78% | 0.778 | S | S | * | * | | | trans | -59 | 122.1 | 175.9 | -144.9 | -14.5 | 0 | 0 | 0 | 108.5 | L192 F196 D197 | L192-D194 PolarHBondContact O-N 3.07Å; D194-F196 PolarHBondContact O-N 3.09Å; D194-F196 WeakPolarHBondContact OD1-CD2 3.43Å; D194-D197 PolarHBondContact O-N 2.99Å; D194-D197 VanDerWaalsContact O-N 3.12Å |
| 195 | P | 47.6 | Very low | 37.5 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 64% | 0.636 | 78% | 0.783 | S | S | * | * | G | 310 helix | trans | -64.7 | -3.4 | -178.6 | 23.4 | -32.2 | 0 | 0 | 0 | 113.8 | S193 D197 | S193-P195 WeakPolarHBondContact O-CD 3.29Å; P195-D197 PolarHBondContact O-N 2.75Å |
| 196 | F | 43.8 | Very low | 37.7 | Very low | 181 Ų | 181 | 127.3 Ų | 127.3 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -75.1 | -4.7 | 171.3 | -66.9 | -76.5 | 0 | 0 | 0 | 114.2 | D194 F198 | D194-F196 PolarHBondContact O-N 3.09Å; D194-F196 WeakPolarHBondContact OD1-CD2 3.43Å; F196-F198 VanDerWaalsContact C-N 3.33Å |
| 197 | D | 45.2 | Very low | 37.5 | Very low | 141 Ų | 141 | 128 Ų | 128 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -89.2 | 14.8 | 174.2 | -85.7 | -25.6 | 0 | 0 | 0 | 114.7 | D194 P195 G199 | D194-D197 PolarHBondContact O-N 2.99Å; D194-D197 VanDerWaalsContact O-N 3.12Å; P195-D197 PolarHBondContact O-N 2.75Å; D197-G199 PolarHBondContact O-N 2.98Å |
| 198 | F | 39.8 | Very low | 37.5 | Very low | 187 Ų | 187 | 128.6 Ų | 128.6 | 82% | 0.82 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -90.1 | 83.6 | 165.9 | -75.7 | -80 | 0 | 0 | 0 | 111.3 | F196 | F196-F198 VanDerWaalsContact C-N 3.33Š|
| 199 | G | 35 | Very low | 37.3 | Very low | 73 Ų | 73 | 127 Ų | 127 | 75% | 0.753 | 77% | 0.77 | S | S | * | * | | | trans | 45.4 | 89 | 141.5 | 0 | 0 | 0 | 0 | 0 | 117 | D197 | D197-G199 PolarHBondContact O-N 2.98Š|
| 200 | S | 39.6 | Very low | 36.8 | Very low | 111 Ų | 111 | 128.2 Ų | 128.2 | 78% | 0.776 | 77% | 0.77 | S | S | * | * | | | trans | -142.9 | 94.2 | 144.2 | -144.3 | 0 | 0 | 0 | 0 | 110 | | |
| 201 | I | 35.7 | Very low | 36.4 | Very low | 149 Ų | 149 | 132.3 Ų | 132.3 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | | | trans | 2.3 | 139.4 | 136.2 | 52.3 | 167.3 | 0 | 0 | 0 | 115.7 | | |
| 202 | C | 29.9 | Very low | 36.3 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | 104.8 | 50.2 | 170.1 | -53.3 | 0 | 0 | 0 | 0 | 116.5 | | |
| 203 | S | 28.7 | Very low | 36 | Very low | 125 Ų | 125 | 129.6 Ų | 129.6 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | -74.7 | 138.3 | 134.8 | -78.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 204 | L | 31.4 | Very low | 35.8 | Very low | 154 Ų | 154 | 128.8 Ų | 128.8 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | | | trans | -37.9 | 152.7 | -178.4 | -91.5 | 67.4 | 0 | 0 | 0 | 116.5 | S206 | L204-S206 PolarHBondContact O-N 2.98Š|
| 205 | P | 40.8 | Very low | 35.7 | Very low | 135 Ų | 135 | 130 Ų | 130 | 88% | 0.877 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -78.9 | 92.3 | 171.1 | 33.2 | -29.8 | 0 | 0 | 0 | 109.6 | | |
| 206 | S | 36.9 | Very low | 35.1 | Very low | 103 Ų | 103 | 134.2 Ų | 134.2 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | | | trans | -153.9 | 91.4 | 165.7 | -171.8 | 0 | 0 | 0 | 0 | 111.7 | L204 | L204-S206 PolarHBondContact O-N 2.98Š|
| 207 | Q | 29.3 | Very low | 34.8 | Very low | 180 Ų | 180 | 132.1 Ų | 132.1 | 84% | 0.841 | 79% | 0.793 | S | S | * | * | | | trans | 23.5 | 131.1 | 140.3 | -74.9 | -166.4 | 11.6 | 0 | 0 | 121.6 | | |
| 208 | V | 32.4 | Very low | 34.4 | Very low | 129 Ų | 129 | 132 Ų | 132 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | | | trans | 82.3 | 149.2 | 150.4 | -124.9 | 0 | 0 | 0 | 0 | 119 | | |
| 209 | P | 34.9 | Very low | 34.4 | Very low | 109 Ų | 109 | 127.7 Ų | 127.7 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | | | | -125.4 | 171.8 | -83.2 | 40.4 | -26 | 0 | 0 | 0 | 113.5 | | |
| 210 | C | 26.8 | Very low | 34.6 | Very low | 125 Ų | 125 | 130.8 Ų | 130.8 | 85% | 0.845 | 79% | 0.794 | S | S | * | * | | | trans | -47.8 | 133.8 | 172.7 | -59.5 | 0 | 0 | 0 | 0 | 114.3 | | |
| 211 | I | 32.6 | Very low | 34.8 | Very low | 150 Ų | 150 | 132.5 Ų | 132.5 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | | | trans | -121.5 | 118.6 | 151.8 | -51.5 | 176.4 | 0 | 0 | 0 | 106.6 | V213 | I211-V213 HydrophobicContact CG2-CG2 4.43Š|
| 212 | P | 37.1 | Very low | 35.3 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | | | trans | -82.7 | 129.2 | 177.9 | 31.8 | -29.2 | 0 | 0 | 0 | 109.2 | | |
| 213 | V | 34.8 | Very low | 36.5 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | | | trans | -136 | 104.4 | 165.6 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | I211 | I211-V213 HydrophobicContact CG2-CG2 4.43Š|
| 214 | A | 33 | Very low | 37.7 | Very low | 81 Ų | 81 | 133.6 Ų | 133.6 | 67% | 0.669 | 79% | 0.787 | S | S | * | * | | | trans | 59.8 | 106.2 | 142.7 | 0 | 0 | 0 | 0 | 0 | 119 | E216 | A214-E216 PolarHBondContact O-N 2.91Š|
| 215 | T | 35.3 | Very low | 39.2 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 80% | 0.798 | 79% | 0.792 | S | S | * | * | | | | -8.4 | 109.7 | 130 | 34.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 216 | E | 34.6 | Very low | 40.4 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | | | | 36.1 | 102.3 | 129.1 | -59 | -175.8 | 173.4 | 0 | 0 | 116.7 | A214 | A214-E216 PolarHBondContact O-N 2.91Š|
| 217 | T | 36.6 | Very low | 42 | Very low | 138 Ų | 138 | 145.6 Ų | 145.6 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | | | trans | -129 | 113.2 | 139.4 | 11.5 | 0 | 0 | 0 | 0 | 108.4 | S219 | T217-S219 PolarHBondContact O-N 2.96Š|
| 218 | T | 36.5 | Very low | 44 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -39.1 | 115.1 | 167 | 32.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 219 | S | 39.7 | Very low | 45.3 | Very low | 95 Ų | 95 | 143.4 Ų | 143.4 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | | | trans | -125.5 | 103.8 | 154.6 | 177.6 | 0 | 0 | 0 | 0 | 108 | T217 L221 | T217-S219 PolarHBondContact O-N 2.96Å; S219-L221 PolarHBondContact O-N 3.13Å |
| 220 | T | 40.8 | Very low | 47 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 85% | 0.847 | 79% | 0.791 | S | S | * | * | | | trans | -65.1 | 71.4 | 176.8 | -39.5 | 0 | 0 | 0 | 0 | 110.4 | K222 | T220-K222 PolarHBondContact O-N 3.07Š|
| 221 | L | 43.9 | Very low | 48.8 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | | | trans | -86.1 | 106.6 | 165.7 | -82.3 | 158 | 0 | 0 | 0 | 107.2 | S219 P223 | S219-L221 PolarHBondContact O-N 3.13Å; L221-P223 VanDerWaalsContact O-N 3.13Å |
| 222 | K | 45.6 | Very low | 50.2 | Low | 193 Ų | 193 | 143.7 Ų | 143.7 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | | | trans | -45.7 | 121.7 | 172.6 | -88.5 | -174.4 | 173.8 | -177.9 | 0 | 108.8 | T220 | T220-K222 PolarHBondContact O-N 3.07Š|
| 223 | P | 54.1 | Low | 51.5 | Low | 111 Ų | 111 | 141.7 Ų | 141.7 | 72% | 0.721 | 76% | 0.763 | S | S | * | * | | | trans | -61 | 138.3 | 174.1 | 23.7 | -30.7 | 0 | 0 | 0 | 108.6 | L221 E225 | L221-P223 VanDerWaalsContact O-N 3.13Å; P223-E225 PolarHBondContact O-N 3.24Å |
| 224 | P | 55.7 | Low | 52.8 | Low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 75% | 0.745 | S | S | * | * | | | trans | -58.5 | 128.5 | 175 | 23.4 | -31.5 | 0 | 0 | 0 | 108.8 | R226 | P224-R226 PolarHBondContact O-N 3.29Š|
| 225 | E | 61.5 | Low | 54.3 | Low | 199 Ų | 199 | 138.9 Ų | 138.9 | 93% | 0.93 | 73% | 0.732 | S | S | * | * | | | trans | -52.4 | 104 | 176.4 | -77.8 | -176.4 | 152.6 | 0 | 0 | 109.6 | P223 K227 | P223-E225 PolarHBondContact O-N 3.24Å; E225-K227 PolarHBondContact O-N 3.26Å |
| 226 | R | 66.5 | Low | 55.6 | Low | 239 Ų | 239 | 141.1 Ų | 141.1 | 90% | 0.902 | 73% | 0.733 | S | S | * | * | | | trans | -73.1 | 99.6 | 169.9 | -65.7 | -171.2 | -170.2 | 141.9 | 0.5 | 106.8 | P224 L228 | P224-R226 PolarHBondContact O-N 3.29Å; R226-L228 PolarHBondContact O-N 3.08Å; R226-L228 VanDerWaalsContact O-N 3.08Å |
| 227 | K | 71.3 | Confident | 57.1 | Low | 206 Ų | 206 | 139.8 Ų | 139.8 | 90% | 0.896 | 72% | 0.724 | S | S | * | * | | | trans | -57.8 | 113.5 | 172.3 | -138.7 | 167 | -174.7 | 176 | 0 | 107.6 | E225 | E225-K227 PolarHBondContact O-N 3.26Š|
| 228 | L | 69.8 | Low | 58.6 | Low | 161 Ų | 161 | 138.2 Ų | 138.2 | 84% | 0.843 | 71% | 0.709 | S | S | * | * | | | trans | -57.3 | 130 | 175.9 | -72.1 | 165.2 | 0 | 0 | 0 | 108.1 | R226 D230 | R226-L228 PolarHBondContact O-N 3.08Å; R226-L228 VanDerWaalsContact O-N 3.08Å; L228-D230 PolarHBondContact O-N 3.23Å |
| 229 | P | 60.9 | Low | 60 | Low | 102 Ų | 102 | 134.8 Ų | 134.8 | 66% | 0.662 | 70% | 0.701 | S | S | * | * | | | trans | -60.4 | 134.4 | 173.6 | 24.3 | -30.8 | 0 | 0 | 0 | 108.8 | T231 | P229-T231 HydrophobicContact CG-CG2 4.35Å; P229-T231 PolarHBondContact O-N 3.17Å |
| 230 | D | 69.1 | Low | 61.5 | Low | 113 Ų | 113 | 136.2 Ų | 136.2 | 60% | 0.604 | 70% | 0.701 | S | S | * | * | | | trans | -72.2 | 76.7 | 178.2 | -168.3 | 17 | 0 | 0 | 0 | 109.5 | L228 W232 S233 | L228-D230 PolarHBondContact O-N 3.23Å; D230-W232 PolarHBondContact O-N 3.31Å; D230-S233 PolarHBondContact O-N 2.88Å; D230-S233 PolarHBondContact OD2-OG 2.95Å |
| 231 | T | 65.6 | Low | 63 | Low | 87 Ų | 87 | 133.8 Ų | 133.8 | 53% | 0.534 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.4 | -19.8 | -171.1 | 47.3 | 0 | 0 | 0 | 0 | 113.6 | P229 D234 | P229-T231 HydrophobicContact CG-CG2 4.35Å; P229-T231 PolarHBondContact O-N 3.17Å; T231-D234 PolarHBondContact O-N 3.37Å |
| 232 | W | 61.3 | Low | 64.2 | Low | 191 Ų | 191 | 132.3 Ų | 132.3 | 72% | 0.723 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -31.8 | -179.5 | -67 | 97.8 | 0 | 0 | 0 | 112.8 | D230 D234 I235 | D230-W232 PolarHBondContact O-N 3.31Å; W232-D234 PolarHBondContact O-N 2.82Å; W232-I235 HydrophobicContact CD2-CD1 4.25Å; W232-I235 HydrophobicContact CE3-CD1 3.38Å; W232-I235 HydrophobicContact CZ3-CD1 3.61Å; W232-I235 PolarHBondContact O-N 3.42Å |
| 233 | S | 65.9 | Low | 65.5 | Low | 76 Ų | 76 | 129.3 Ų | 129.3 | 53% | 0.531 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -65.7 | -23.6 | 177.2 | -70.5 | 0 | 0 | 0 | 0 | 112.6 | D230 | D230-S233 PolarHBondContact O-N 2.88Å; D230-S233 PolarHBondContact OD2-OG 2.95Å |
| 234 | D | 62.3 | Low | 66 | Low | 75 Ų | 75 | 127.9 Ų | 127.9 | 40% | 0.401 | 66% | 0.66 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.8 | -4.5 | -178.1 | -74.3 | -16.1 | 0 | 0 | 0 | 113.8 | T231 W232 H236 K237 I238 | T231-D234 PolarHBondContact O-N 3.37Å; W232-D234 PolarHBondContact O-N 2.82Å; D234-H236 PolarHBondContact O-N 3.12Å; D234-K237 HydrophobicContact CB-CD 4.26Å; D234-K237 WeakPolarHBondContact O-CA 3.34Å; D234-K237 VanDerWaalsContact O-CB 3.24Å; D234-K237 WeakPolarHBondContact O-CB 3.42Å; D234-K237 PolarHBondContact O-N 2.85Å; D234-K237 WeakPolarHBondContact OD1-CD 3.18Å; D234-K237 WeakPolarHBondContact OD1-CE 3.45Å; D234-K237 IonicContact OD1-NZ 2.71Å; D234-K237 PolarHBondContact OD1-NZ 2.94Å; D234-K237 IonicContact OD2-NZ 4Å; D234-I238 PolarHBondContact O-N 3.07Å |
| 235 | I | 64.4 | Low | 66.5 | Low | 77 Ų | 77 | 128.3 Ų | 128.3 | 40% | 0.395 | 66% | 0.655 | S | S | . | * | G | 310 helix | trans | -60.9 | -35.1 | 175.7 | -74.5 | 174.3 | 0 | 0 | 0 | 111.3 | W232 K237 I238 | W232-I235 HydrophobicContact CD2-CD1 4.25Å; W232-I235 HydrophobicContact CE3-CD1 3.38Å; W232-I235 HydrophobicContact CZ3-CD1 3.61Å; W232-I235 PolarHBondContact O-N 3.42Å; I235-K237 PolarHBondContact O-N 3.19Å; I235-I238 HydrophobicContact CB-CD1 4.4Å; I235-I238 HydrophobicContact CG1-CD1 4.15Å; I235-I238 PolarHBondContact O-N 2.91Å; I235-I238 VanDerWaalsContact O-N 3.17Å |
| 236 | H | 60.6 | Low | 66.8 | Low | 177 Ų | 177 | 122 Ų | 122 | 82% | 0.819 | 63% | 0.634 | S | S | * | * | G | 310 helix | trans | -67.4 | -19.6 | 172.3 | -61.7 | -57.3 | 0 | 0 | 0 | 113.2 | D234 | D234-H236 PolarHBondContact O-N 3.12Š|
| 237 | K | 67.6 | Low | 66.6 | Low | 158 Ų | 158 | 117.8 Ų | 117.8 | 69% | 0.687 | 63% | 0.628 | S | S | * | * | G | 310 helix | trans | -81.6 | -13.5 | 173.5 | -61.1 | -175.4 | -176.9 | 162.3 | 0 | 113.7 | D234 I235 G239 | D234-K237 HydrophobicContact CB-CD 4.26Å; D234-K237 WeakPolarHBondContact O-CA 3.34Å; D234-K237 VanDerWaalsContact O-CB 3.24Å; D234-K237 WeakPolarHBondContact O-CB 3.42Å; D234-K237 PolarHBondContact O-N 2.85Å; D234-K237 WeakPolarHBondContact OD1-CD 3.18Å; D234-K237 WeakPolarHBondContact OD1-CE 3.45Å; D234-K237 IonicContact OD1-NZ 2.71Å; D234-K237 PolarHBondContact OD1-NZ 2.94Å; D234-K237 IonicContact OD2-NZ 4Å; I235-K237 PolarHBondContact O-N 3.19Å; K237-G239 PolarHBondContact O-N 2.97Å |
| 238 | I | 67.1 | Low | 66.2 | Low | 105 Ų | 105 | 116.3 Ų | 116.3 | 54% | 0.538 | 63% | 0.625 | S | S | . | * | G | 310 helix | trans | -68.8 | 2.1 | 177.5 | -46.4 | 173.1 | 0 | 0 | 0 | 110.8 | D234 I235 L240 | D234-I238 PolarHBondContact O-N 3.07Å; I235-I238 HydrophobicContact CB-CD1 4.4Å; I235-I238 HydrophobicContact CG1-CD1 4.15Å; I235-I238 PolarHBondContact O-N 2.91Å; I235-I238 VanDerWaalsContact O-N 3.17Å; I238-L240 HydrophobicContact CB-CG 4.24Å; I238-L240 HydrophobicContact CG2-CD1 4.19Å; I238-L240 HydrophobicContact CG2-CD2 4.44Å; I238-L240 HydrophobicContact CG2-CG 3.96Å; I238-L240 PolarHBondContact O-N 2.84Å |
| 239 | G | 67.4 | Low | 65.6 | Low | 67 Ų | 67 | 116.1 Ų | 116.1 | 69% | 0.691 | 62% | 0.624 | S | S | * | * | | | trans | 60.3 | 18.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K237 D241 | K237-G239 PolarHBondContact O-N 2.97Å; G239-D241 PolarHBondContact O-N 2.87Å |
| 240 | L | 70.4 | Confident | 65.7 | Low | 126 Ų | 126 | 117.4 Ų | 117.4 | 66% | 0.66 | 62% | 0.619 | S | S | * | * | | | trans | -74.5 | 95.5 | 178.2 | -63.7 | -178.8 | 0 | 0 | 0 | 107.3 | I238 L242 | I238-L240 HydrophobicContact CB-CG 4.24Å; I238-L240 HydrophobicContact CG2-CD1 4.19Å; I238-L240 HydrophobicContact CG2-CD2 4.44Å; I238-L240 HydrophobicContact CG2-CG 3.96Å; I238-L240 PolarHBondContact O-N 2.84Å; L240-L242 HydrophobicContact CB-CD2 4.39Å; L240-L242 PolarHBondContact O-N 2.95Å |
| 241 | D | 72.6 | Confident | 65.2 | Low | 87 Ų | 87 | 117.8 Ų | 117.8 | 47% | 0.465 | 63% | 0.628 | S | S | . | * | | | trans | -66.3 | 98.2 | 170.1 | 179.1 | 23.1 | 0 | 0 | 0 | 109.6 | G239 N243 | G239-D241 PolarHBondContact O-N 2.87Å; D241-N243 PolarHBondContact O-N 3.22Å; D241-N243 WeakPolarHBondContact OD1-CB 3.27Å; D241-N243 VanDerWaalsContact OD1-CG 3.25Å; D241-N243 PolarHBondContact OD1-N 3.27Å; D241-N243 PolarHBondContact OD1-ND2 2.8Å |
| 242 | L | 69.1 | Low | 65.1 | Low | 115 Ų | 115 | 123.7 Ų | 123.7 | 60% | 0.602 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -72.6 | -10.8 | 178.6 | -55.8 | 179.4 | 0 | 0 | 0 | 112.3 | L240 C244 L245 | L240-L242 HydrophobicContact CB-CD2 4.39Å; L240-L242 PolarHBondContact O-N 2.95Å; L242-C244 PolarHBondContact O-N 2.99Å; L242-L245 HydrophobicContact CB-CD1 4.47Å; L242-L245 HydrophobicContact CD2-CD1 3.7Å; L242-L245 WeakPolarHBondContact O-CB 3.16Å; L242-L245 PolarHBondContact O-N 2.7Å |
| 243 | N | 71.5 | Confident | 65.3 | Low | 131 Ų | 131 | 123.3 Ų | 123.3 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | G | 310 helix | trans | -61.3 | -30 | 176.3 | -61.7 | -51.1 | 0 | 0 | 0 | 111.4 | D241 L245 S246 | D241-N243 PolarHBondContact O-N 3.22Å; D241-N243 WeakPolarHBondContact OD1-CB 3.27Å; D241-N243 VanDerWaalsContact OD1-CG 3.25Å; D241-N243 PolarHBondContact OD1-N 3.27Å; D241-N243 PolarHBondContact OD1-ND2 2.8Å; N243-L245 PolarHBondContact O-N 3.48Å; N243-S246 WeakPolarHBondContact O-CB 3.21Å; N243-S246 PolarHBondContact O-N 3.09Å |
| 244 | C | 66.1 | Low | 65.2 | Low | 80 Ų | 80 | 128.9 Ų | 128.9 | 54% | 0.541 | 66% | 0.662 | S | S | . | * | G | 310 helix | trans | -67.5 | -15.3 | 174.2 | -67.6 | 0 | 0 | 0 | 0 | 113.9 | L242 K250 | L242-C244 PolarHBondContact O-N 2.99Å; C244-K250 WeakPolarHBondContact O-CE 3.45Å; C244-K250 PolarHBondContact O-NZ 2.86Å |
| 245 | L | 64.6 | Low | 65.3 | Low | 122 Ų | 122 | 132.6 Ų | 132.6 | 64% | 0.639 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -86.7 | -10.4 | 177.4 | -59.8 | 178.8 | 0 | 0 | 0 | 112.7 | L242 N243 L247 | L242-L245 HydrophobicContact CB-CD1 4.47Å; L242-L245 HydrophobicContact CD2-CD1 3.7Å; L242-L245 WeakPolarHBondContact O-CB 3.16Å; L242-L245 PolarHBondContact O-N 2.7Å; N243-L245 PolarHBondContact O-N 3.48Å; L245-L247 PolarHBondContact O-N 3.04Å |
| 246 | S | 68.1 | Low | 65.6 | Low | 68 Ų | 68 | 131.8 Ų | 131.8 | 48% | 0.476 | 69% | 0.686 | S | S | . | * | | | trans | -61.6 | 113.7 | 178.5 | -151.7 | 0 | 0 | 0 | 0 | 109.7 | N243 E248 | N243-S246 WeakPolarHBondContact O-CB 3.21Å; N243-S246 PolarHBondContact O-N 3.09Å; S246-E248 PolarHBondContact O-N 3.49Å |
| 247 | L | 62.4 | Low | 66.2 | Low | 150 Ų | 150 | 127.2 Ų | 127.2 | 79% | 0.785 | 67% | 0.667 | S | S | * | * | | | trans | -77.7 | -4.1 | -179.6 | -69.1 | 173.8 | 0 | 0 | 0 | 112.3 | L245 N249 | L245-L247 PolarHBondContact O-N 3.04Å; L247-N249 PolarHBondContact O-N 3.44Å; L247-N249 VanDerWaalsContact O-N 3.1Å |
| 248 | E | 64.3 | Low | 66.9 | Low | 175 Ų | 175 | 122.5 Ų | 122.5 | 82% | 0.818 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.4 | -19.6 | -164 | -153.2 | 176.5 | -178.3 | 0 | 0 | 113.8 | S246 | S246-E248 PolarHBondContact O-N 3.49Š|
| 249 | N | 56.2 | Low | 67.8 | Low | 156 Ų | 156 | 123.6 Ų | 123.6 | 83% | 0.834 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.5 | 30.8 | -178.6 | -129.6 | -12.3 | 0 | 0 | 0 | 115.7 | L247 P251 | L247-N249 PolarHBondContact O-N 3.44Å; L247-N249 VanDerWaalsContact O-N 3.1Å; N249-P251 WeakPolarHBondContact O-CD 3.34Å |
| 250 | K | 62.8 | Low | 68.7 | Low | 130 Ų | 130 | 125.9 Ų | 125.9 | 57% | 0.565 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 119.7 | 168 | -71.9 | -177.3 | -175.7 | 172.2 | 0 | 108 | C244 R252 | C244-K250 WeakPolarHBondContact O-CE 3.45Å; C244-K250 PolarHBondContact O-NZ 2.86Å; K250-R252 PolarHBondContact O-N 3.27Å |
| 251 | P | 58.4 | Low | 69.6 | Low | 121 Ų | 121 | 124.6 Ų | 124.6 | 79% | 0.786 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 119 | 174.1 | 22.1 | -31.2 | 0 | 0 | 0 | 107.7 | N249 K253 | N249-P251 WeakPolarHBondContact O-CD 3.34Å; P251-K253 PolarHBondContact O-N 3.33Å |
| 252 | R | 64.8 | Low | 70.4 | Confident | 210 Ų | 210 | 124.2 Ų | 124.2 | 79% | 0.792 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 117.8 | 177.3 | -165.1 | 177.4 | -171.8 | 132.5 | -0.5 | 106.5 | K250 Q254 | K250-R252 PolarHBondContact O-N 3.27Å; R252-Q254 PolarHBondContact O-N 3.27Å |
| 253 | K | 64.6 | Low | 71.3 | Confident | 183 Ų | 183 | 124.2 Ų | 124.2 | 80% | 0.796 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -47.5 | 119.6 | 177.3 | -70.3 | -176.8 | 178 | -179.2 | 0 | 106.7 | P251 N255 A256 | P251-K253 PolarHBondContact O-N 3.33Å; K253-N255 PolarHBondContact O-N 2.89Å; K253-A256 PolarHBondContact O-N 3.18Å |
| 254 | Q | 63.8 | Low | 72.2 | Confident | 194 Ų | 194 | 121 Ų | 121 | 91% | 0.907 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | -15.9 | -170.9 | -67.3 | 179.6 | -30.1 | 0 | 0 | 113.4 | R252 | R252-Q254 PolarHBondContact O-N 3.27Š|
| 255 | N | 64.4 | Low | 73.2 | Confident | 153 Ų | 153 | 122.2 Ų | 122.2 | 82% | 0.818 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | 9.9 | -179.7 | -65.8 | -42.2 | 0 | 0 | 0 | 114.7 | K253 L257 | K253-N255 PolarHBondContact O-N 2.89Å; N255-L257 VanDerWaalsContact C-N 3.3Å; N255-L257 PolarHBondContact O-N 3.41Å |
| 256 | A | 70.1 | Confident | 74.4 | Confident | 59 Ų | 59 | 120.2 Ų | 120.2 | 49% | 0.488 | 61% | 0.609 | S | S | . | * | | | trans | -77 | 86.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | K253 S258 | K253-A256 PolarHBondContact O-N 3.18Å; A256-S258 PolarHBondContact O-N 2.71Å |
| 257 | L | 73.1 | Confident | 75.5 | Confident | 81 Ų | 81 | 123.2 Ų | 123.2 | 42% | 0.424 | 61% | 0.61 | S | S | . | * | | | trans | -52.4 | 136 | 172 | -63.4 | 171.1 | 0 | 0 | 0 | 109.1 | N255 E261 | N255-L257 VanDerWaalsContact C-N 3.3Å; N255-L257 PolarHBondContact O-N 3.41Å; L257-E261 HydrophobicContact CB-CB 4.43Å; L257-E261 HydrophobicContact CD2-CG 3.93Å; L257-E261 VanDerWaalsContact CD2-OE1 3.32Å; L257-E261 WeakPolarHBondContact CD2-OE1 3.47Å |
| 258 | S | 82.3 | Confident | 76.6 | Confident | 60 Ų | 60 | 121 Ų | 121 | 42% | 0.42 | 60% | 0.595 | S | S | . | * | | | trans | -61.1 | 150.1 | 170.8 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | A256 N260 E261 L262 | A256-S258 PolarHBondContact O-N 2.71Å; S258-N260 PolarHBondContact O-N 3.49Å; S258-N260 VanDerWaalsContact O-N 3.17Å; S258-E261 WeakPolarHBondContact O-CA 3.24Å; S258-E261 WeakPolarHBondContact O-CB 3.2Å; S258-E261 PolarHBondContact O-N 3.33Å; S258-L262 PolarHBondContact O-N 2.84Å |
| 259 | M | 86.5 | Confident | 77.5 | Confident | 127 Ų | 127 | 119.9 Ų | 119.9 | 63% | 0.626 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -52.2 | -38.2 | 174 | -77.7 | -60.8 | -59.5 | 0 | 0 | 112.1 | L262 Q263 | M259-L262 PolarHBondContact O-N 3.16Å; M259-Q263 VanDerWaalsContact O-CG 3.29Å; M259-Q263 WeakPolarHBondContact O-CG 3.48Å; M259-Q263 PolarHBondContact O-N 2.81Å |
| 260 | N | 86.4 | Confident | 78.6 | Confident | 116 Ų | 116 | 118.2 Ų | 118.2 | 62% | 0.62 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66.5 | -37.6 | 175.9 | -75.8 | -7.5 | 0 | 0 | 0 | 112.6 | S258 Q263 E264 | S258-N260 PolarHBondContact O-N 3.49Å; S258-N260 VanDerWaalsContact O-N 3.17Å; N260-Q263 PolarHBondContact O-N 2.89Å; N260-E264 WeakPolarHBondContact O-CB 3.31Å; N260-E264 PolarHBondContact O-N 3.09Å |
| 261 | E | 88.7 | Confident | 79.2 | Confident | 99 Ų | 99 | 117.6 Ų | 117.6 | 46% | 0.463 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.7 | -39.6 | 179.3 | -167.7 | 174.2 | -179.8 | 0 | 0 | 111 | L257 S258 E264 Q265 | L257-E261 HydrophobicContact CB-CB 4.43Å; L257-E261 HydrophobicContact CD2-CG 3.93Å; L257-E261 VanDerWaalsContact CD2-OE1 3.32Å; L257-E261 WeakPolarHBondContact CD2-OE1 3.47Å; S258-E261 WeakPolarHBondContact O-CA 3.24Å; S258-E261 WeakPolarHBondContact O-CB 3.2Å; S258-E261 PolarHBondContact O-N 3.33Å; E261-E264 PolarHBondContact O-N 3.02Å; E261-Q265 WeakPolarHBondContact O-CG 3.3Å; E261-Q265 PolarHBondContact O-N 3.19Å |
| 262 | L | 89.4 | Confident | 79.6 | Confident | 79 Ų | 79 | 121.9 Ų | 121.9 | 41% | 0.414 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.8 | -41.8 | 172.8 | -176.8 | 63.9 | 0 | 0 | 0 | 111.8 | S258 M259 N266 | S258-L262 PolarHBondContact O-N 2.84Å; M259-L262 PolarHBondContact O-N 3.16Å; L262-N266 PolarHBondContact O-N 2.81Å; L262-N266 VanDerWaalsContact O-N 3.11Å; L262-N266 PolarHBondContact O-ND2 3.05Å |
| 263 | Q | 89.9 | Confident | 79.7 | Confident | 115 Ų | 115 | 116.7 Ų | 116.7 | 54% | 0.537 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.2 | -43.1 | 176.3 | -74.6 | 173.9 | -2.2 | 0 | 0 | 111.8 | M259 N260 N266 R267 | M259-Q263 VanDerWaalsContact O-CG 3.29Å; M259-Q263 WeakPolarHBondContact O-CG 3.48Å; M259-Q263 PolarHBondContact O-N 2.81Å; N260-Q263 PolarHBondContact O-N 2.89Å; Q263-N266 PolarHBondContact O-N 3.37Å; Q263-R267 PolarHBondContact O-N 3.38Å |
| 264 | E | 89 | Confident | 79.1 | Confident | 63 Ų | 63 | 114.3 Ų | 114.3 | 29% | 0.294 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65 | -41.9 | 178.3 | -179.3 | 54.6 | -154.5 | 0 | 0 | 112.1 | N260 E261 N266 R267 Q268 | N260-E264 WeakPolarHBondContact O-CB 3.31Å; N260-E264 PolarHBondContact O-N 3.09Å; E261-E264 PolarHBondContact O-N 3.02Å; E264-N266 VanDerWaalsContact C-N 3.3Å; E264-N266 PolarHBondContact O-N 3.32Å; E264-R267 WeakPolarHBondContact O-CB 3.44Å; E264-R267 PolarHBondContact O-N 3.08Å; E264-R267 IonicContact OE1-CZ 2.78Å; E264-R267 IonicContact OE1-NE 2.75Å; E264-R267 IonicContact OE1-NH2 2.75Å; E264-R267 PolarHBondContact OE1-NH2 3.49Å; E264-R267 IonicContact OE2-CZ 3.55Å; E264-R267 IonicContact OE2-NE 3.5Å; E264-R267 PolarHBondContact OE2-NE 2.96Å; E264-R267 IonicContact OE2-NH2 2.94Å; E264-R267 PolarHBondContact OE2-NH2 3.28Å; E264-Q268 WeakPolarHBondContact O-CG 3.02Å; E264-Q268 PolarHBondContact O-N 2.83Å; E264-Q268 PolarHBondContact OE1-NE2 3.28Å |
| 265 | Q | 88.5 | Confident | 78.5 | Confident | 106 Ų | 106 | 113.9 Ų | 113.9 | 50% | 0.495 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.2 | -39.4 | 173.7 | -74.6 | -155.8 | 1.6 | 0 | 0 | 112.4 | E261 Q268 K269 | E261-Q265 WeakPolarHBondContact O-CG 3.3Å; E261-Q265 PolarHBondContact O-N 3.19Å; Q265-Q268 PolarHBondContact O-N 2.99Å; Q265-K269 WeakPolarHBondContact O-CB 3.03Å; Q265-K269 PolarHBondContact O-N 3.31Å |
| 266 | N | 88.1 | Confident | 77.5 | Confident | 79 Ų | 79 | 110.7 Ų | 110.7 | 42% | 0.422 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.9 | -39.7 | 174.8 | -79.3 | -57.9 | 0 | 0 | 0 | 112 | L262 Q263 E264 K269 M270 | L262-N266 PolarHBondContact O-N 2.81Å; L262-N266 VanDerWaalsContact O-N 3.11Å; L262-N266 PolarHBondContact O-ND2 3.05Å; Q263-N266 PolarHBondContact O-N 3.37Å; E264-N266 VanDerWaalsContact C-N 3.3Å; E264-N266 PolarHBondContact O-N 3.32Å; N266-K269 PolarHBondContact O-N 2.91Å; N266-M270 PolarHBondContact O-N 3.44Å |
| 267 | R | 90.9 | Very high | 75.9 | Confident | 132 Ų | 132 | 113 Ų | 113 | 50% | 0.498 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.5 | -45.7 | 175.5 | -169.4 | 179.1 | 70.7 | 127.5 | 5.1 | 111.7 | Q263 E264 M270 Q271 | Q263-R267 PolarHBondContact O-N 3.38Å; E264-R267 WeakPolarHBondContact O-CB 3.44Å; E264-R267 PolarHBondContact O-N 3.08Å; E264-R267 IonicContact OE1-CZ 2.78Å; E264-R267 IonicContact OE1-NE 2.75Å; E264-R267 IonicContact OE1-NH2 2.75Å; E264-R267 PolarHBondContact OE1-NH2 3.49Å; E264-R267 IonicContact OE2-CZ 3.55Å; E264-R267 IonicContact OE2-NE 3.5Å; E264-R267 PolarHBondContact OE2-NE 2.96Å; E264-R267 IonicContact OE2-NH2 2.94Å; E264-R267 PolarHBondContact OE2-NH2 3.28Å; R267-M270 PolarHBondContact O-N 2.92Å; R267-Q271 PolarHBondContact O-N 2.87Å |
| 268 | Q | 85.6 | Confident | 74.5 | Confident | 103 Ų | 103 | 114.7 Ų | 114.7 | 48% | 0.481 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65 | -38.8 | 177.3 | -69.2 | -179.3 | 22.7 | 0 | 0 | 112.3 | E264 Q265 M270 Q271 R272 | E264-Q268 WeakPolarHBondContact O-CG 3.02Å; E264-Q268 PolarHBondContact O-N 2.83Å; E264-Q268 PolarHBondContact OE1-NE2 3.28Å; Q265-Q268 PolarHBondContact O-N 2.99Å; Q268-M270 VanDerWaalsContact C-N 3.34Å; Q268-M270 PolarHBondContact O-N 2.8Å; Q268-Q271 PolarHBondContact O-N 2.88Å; Q268-R272 PolarHBondContact O-N 3.25Å |
| 269 | K | 84.9 | Confident | 72.3 | Confident | 152 Ų | 152 | 119.5 Ų | 119.5 | 66% | 0.661 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -62.2 | -42 | 176.1 | -167.2 | 176.6 | 179.6 | -176.5 | 0 | 111.5 | Q265 N266 R272 V273 | Q265-K269 WeakPolarHBondContact O-CB 3.03Å; Q265-K269 PolarHBondContact O-N 3.31Å; N266-K269 PolarHBondContact O-N 2.91Å; K269-R272 PolarHBondContact O-N 3.25Å; K269-V273 WeakPolarHBondContact O-CG2 3.28Å; K269-V273 PolarHBondContact O-N 3.04Å |
| 270 | M | 77.9 | Confident | 70 | Confident | 121 Ų | 121 | 119.4 Ų | 119.4 | 60% | 0.596 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -67.7 | -36.5 | 176 | -74.6 | -172.4 | -83.2 | 0 | 0 | 113.2 | N266 R267 Q268 R272 V273 N274 | N266-M270 PolarHBondContact O-N 3.44Å; R267-M270 PolarHBondContact O-N 2.92Å; Q268-M270 VanDerWaalsContact C-N 3.34Å; Q268-M270 PolarHBondContact O-N 2.8Å; M270-R272 VanDerWaalsContact C-N 3.34Å; M270-R272 PolarHBondContact O-N 2.94Å; M270-V273 PolarHBondContact O-N 3.11Å; M270-N274 PolarHBondContact O-ND2 3.04Å; M270-N274 VanDerWaalsContact O-ND2 3.12Å |
| 271 | Q | 75.7 | Confident | 67.6 | Low | 116 Ų | 116 | 119.4 Ų | 119.4 | 54% | 0.542 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.7 | -35.3 | 176.7 | -75.5 | -179.6 | 11.8 | 0 | 0 | 112.8 | R267 Q268 V273 N274 | R267-Q271 PolarHBondContact O-N 2.87Å; Q268-Q271 PolarHBondContact O-N 2.88Å; Q271-V273 VanDerWaalsContact C-N 3.34Å; Q271-V273 PolarHBondContact O-N 3.22Å; Q271-N274 PolarHBondContact O-N 2.83Å |
| 272 | R | 66.9 | Low | 65.2 | Low | 212 Ų | 212 | 119.9 Ų | 119.9 | 80% | 0.8 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.5 | -31.7 | 175.5 | -75.5 | -159.9 | -172.3 | 170.3 | 4.4 | 113.7 | Q268 K269 M270 N274 | Q268-R272 PolarHBondContact O-N 3.25Å; K269-R272 PolarHBondContact O-N 3.25Å; M270-R272 VanDerWaalsContact C-N 3.34Å; M270-R272 PolarHBondContact O-N 2.94Å; R272-N274 VanDerWaalsContact C-N 3.25Å; R272-N274 PolarHBondContact O-N 3.26Å |
| 273 | V | 66.8 | Low | 62.6 | Low | 101 Ų | 101 | 123.2 Ų | 123.2 | 61% | 0.612 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68.2 | -27.8 | 177.9 | 175.9 | 0 | 0 | 0 | 0 | 111.5 | K269 M270 Q271 S276 | K269-V273 WeakPolarHBondContact O-CG2 3.28Å; K269-V273 PolarHBondContact O-N 3.04Å; M270-V273 PolarHBondContact O-N 3.11Å; Q271-V273 VanDerWaalsContact C-N 3.34Å; Q271-V273 PolarHBondContact O-N 3.22Å; V273-S276 PolarHBondContact O-OG 3.49Å |
| 274 | N | 52.2 | Low | 59.9 | Low | 133 Ų | 133 | 126.1 Ų | 126.1 | 71% | 0.711 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -7.9 | -176.3 | -75.6 | -54 | 0 | 0 | 0 | 115.4 | M270 Q271 R272 | M270-N274 PolarHBondContact O-ND2 3.04Å; M270-N274 VanDerWaalsContact O-ND2 3.12Å; Q271-N274 PolarHBondContact O-N 2.83Å; R272-N274 VanDerWaalsContact C-N 3.25Å; R272-N274 PolarHBondContact O-N 3.26Å |
| 275 | Q | 51.6 | Low | 57.2 | Low | 185 Ų | 185 | 128.5 Ų | 128.5 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -3.5 | 176.1 | -75.5 | -165.9 | 2 | 0 | 0 | 114.8 | S277 | Q275-S277 PolarHBondContact O-N 3.18Š|
| 276 | S | 42.9 | Very low | 54.7 | Low | 85 Ų | 85 | 128.3 Ų | 128.3 | 59% | 0.594 | 69% | 0.692 | S | S | * | * | | | trans | -97.1 | 69 | 174.5 | 52.5 | 0 | 0 | 0 | 0 | 111.5 | V273 P278 | V273-S276 PolarHBondContact O-OG 3.49Å; S276-P278 WeakPolarHBondContact O-CD 3.31Å |
| 277 | S | 37.2 | Very low | 52.1 | Low | 108 Ų | 108 | 131.5 Ų | 131.5 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | | | trans | -107.6 | 91.8 | 156.2 | -69.6 | 0 | 0 | 0 | 0 | 108.3 | Q275 | Q275-S277 PolarHBondContact O-N 3.18Š|
| 278 | P | 43.4 | Very low | 49.4 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 76% | 0.76 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 129.3 | 171.9 | 20.3 | -13.4 | 0 | 0 | 0 | 109.7 | S276 | S276-P278 WeakPolarHBondContact O-CD 3.31Š|
| 279 | L | 35.6 | Very low | 47.1 | Very low | 161 Ų | 161 | 131.7 Ų | 131.7 | 84% | 0.843 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -53.9 | 143.4 | 164.9 | -87.5 | 83.8 | 0 | 0 | 0 | 109.7 | S281 | L279-S281 PolarHBondContact O-N 3.46Š|
| 280 | P | 38.5 | Very low | 44.5 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 81% | 0.805 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 118.6 | -174.3 | 27 | -32.6 | 0 | 0 | 0 | 110.5 | S282 | P280-S282 PolarHBondContact O-N 3.07Š|
| 281 | S | 36.6 | Very low | 42.5 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 75% | 0.75 | S | S | * | * | | | trans | -66.8 | 100.2 | 166.6 | 51.9 | 0 | 0 | 0 | 0 | 109.2 | L279 N283 | L279-S281 PolarHBondContact O-N 3.46Å; S281-N283 PolarHBondContact O-N 3.08Å |
| 282 | S | 37.7 | Very low | 40.5 | Very low | 110 Ų | 110 | 132.7 Ų | 132.7 | 77% | 0.769 | 76% | 0.762 | S | S | * | * | | | trans | -72.7 | 113 | 165.2 | -174.5 | 0 | 0 | 0 | 0 | 109.1 | P280 Q284 | P280-S282 PolarHBondContact O-N 3.07Å; S282-Q284 PolarHBondContact O-N 3.11Å |
| 283 | N | 34.5 | Very low | 38.8 | Very low | 148 Ų | 148 | 129.3 Ų | 129.3 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | | | trans | -11.3 | 104.2 | 165.8 | -59.6 | -43.2 | 0 | 0 | 0 | 117.1 | S281 | S281-N283 PolarHBondContact O-N 3.08Š|
| 284 | Q | 34.3 | Very low | 37.5 | Very low | 177 Ų | 177 | 130.3 Ų | 130.3 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | | | trans | -120.5 | 86.6 | 141.2 | -81.5 | -166.3 | 20.5 | 0 | 0 | 108.3 | S282 V286 | S282-Q284 PolarHBondContact O-N 3.11Å; Q284-V286 HydrophobicContact CB-CG2 4.26Å; Q284-V286 PolarHBondContact O-N 3.04Å |
| 285 | C | 30.6 | Very low | 36.5 | Very low | 113 Ų | 113 | 126.8 Ų | 126.8 | 76% | 0.764 | 77% | 0.769 | S | S | * | * | | | trans | -75.2 | 80.6 | 166.8 | -159 | 0 | 0 | 0 | 0 | 107.4 | N287 | C285-N287 PolarHBondContact O-N 3.27Š|
| 286 | V | 37.4 | Very low | 35.8 | Very low | 102 Ų | 102 | 124 Ų | 124 | 62% | 0.618 | 77% | 0.77 | S | S | * | * | | | trans | -93.5 | 86.3 | 169.4 | -165.4 | 0 | 0 | 0 | 0 | 107.2 | Q284 T288 | Q284-V286 HydrophobicContact CB-CG2 4.26Å; Q284-V286 PolarHBondContact O-N 3.04Å; V286-T288 PolarHBondContact O-N 3.02Å |
| 287 | N | 32.9 | Very low | 35.3 | Very low | 146 Ų | 146 | 123.1 Ų | 123.1 | 78% | 0.781 | 78% | 0.775 | S | S | * | * | | | trans | -54.5 | 107.4 | 159.9 | -77.7 | -14.3 | 0 | 0 | 0 | 108 | C285 | C285-N287 PolarHBondContact O-N 3.27Š|
| 288 | T | 35.3 | Very low | 35.6 | Very low | 125 Ų | 125 | 125.4 Ų | 125.4 | 77% | 0.767 | 78% | 0.777 | S | S | * | * | | | trans | -127.5 | 118.4 | 158.4 | -31 | 0 | 0 | 0 | 0 | 108.7 | V286 | V286-T288 PolarHBondContact O-N 3.02Š|
| 289 | V | 36.5 | Very low | 35.3 | Very low | 114 Ų | 114 | 127.1 Ų | 127.1 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | | | trans | -61.5 | 140.2 | -174.8 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | H291 | V289-H291 PolarHBondContact O-N 2.91Š|
| 290 | N | 29.9 | Very low | 35.7 | Very low | 155 Ų | 155 | 126.6 Ų | 126.6 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | | | trans | -49.4 | 118.2 | 171.4 | -68.6 | -60.2 | 0 | 0 | 0 | 112.5 | | |
| 291 | H | 36.5 | Very low | 35.7 | Very low | 178 Ų | 178 | 128.1 Ų | 128.1 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | trans | -142.6 | 118.9 | 152.6 | -69.9 | -66.6 | 0 | 0 | 0 | 110 | V289 | V289-H291 PolarHBondContact O-N 2.91Š|
| 292 | G | 32.7 | Very low | 36 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | trans | 87.2 | 107.7 | 150.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 293 | T | 32.7 | Very low | 35.9 | Very low | 142 Ų | 142 | 133 Ų | 133 | 87% | 0.871 | 81% | 0.806 | S | S | * | * | | | trans | -65.6 | 130 | 147.3 | -51.4 | 0 | 0 | 0 | 0 | 108.3 | | |
| 294 | P | 37.9 | Very low | 36 | Very low | 121 Ų | 121 | 132.2 Ų | 132.2 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | | | | -136.4 | 146.5 | 86.6 | 34.2 | -17.3 | 0 | 0 | 0 | 111.1 | | |
| 295 | G | 31.1 | Very low | 36.1 | Very low | 60 Ų | 60 | 129.7 Ų | 129.7 | 62% | 0.619 | 81% | 0.805 | S | S | * | * | | | | 107.5 | 130 | 64 | 0 | 0 | 0 | 0 | 0 | 108.9 | | |
| 296 | S | 37.8 | Very low | 36.4 | Very low | 126 Ų | 126 | 130.6 Ų | 130.6 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | | | trans | 62.2 | 116.5 | 163 | 60.6 | 0 | 0 | 0 | 0 | 120.3 | | |
| 297 | G | 32.3 | Very low | 36.4 | Very low | 67 Ų | 67 | 132.4 Ų | 132.4 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | | | | 96.8 | 88.5 | 116.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 298 | L | 42.4 | Very low | 36.6 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 81% | 0.812 | 82% | 0.822 | S | S | * | * | | | trans | -135.2 | 74.7 | 143.8 | -64.9 | 175.6 | 0 | 0 | 0 | 105.4 | L300 | L298-L300 VanDerWaalsContact C-N 3.29Å; L298-L300 HydrophobicContact CD2-CD1 3.99Å; L298-L300 HydrophobicContact CD2-CG 4.19Å |
| 299 | D | 38.3 | Very low | 36.7 | Very low | 154 Ų | 154 | 132 Ų | 132 | 82% | 0.824 | 83% | 0.826 | S | S | * | * | | | | -36.4 | 92 | 95.8 | -81.8 | -18.8 | 0 | 0 | 0 | 115.3 | | |
| 300 | L | 42.9 | Very low | 36.7 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 79% | 0.785 | 84% | 0.837 | S | S | * | * | | | trans | -124.4 | 101.5 | 143.2 | -80.7 | 174.5 | 0 | 0 | 0 | 107.9 | L298 | L298-L300 VanDerWaalsContact C-N 3.29Å; L298-L300 HydrophobicContact CD2-CD1 3.99Å; L298-L300 HydrophobicContact CD2-CG 4.19Å |
| 301 | L | 39.8 | Very low | 37.3 | Very low | 156 Ų | 156 | 131.6 Ų | 131.6 | 82% | 0.817 | 84% | 0.837 | S | S | * | * | | | trans | -47.2 | 134.8 | 165.9 | -70.5 | 153.2 | 0 | 0 | 0 | 111.8 | | |
| 302 | S | 43.1 | Very low | 37.4 | Very low | 194 Ų | 194 | 127.4 Ų | 127.4 | 100% | 1.357 | 84% | 0.839 | S | S | * | * | | | | -137.5 | 0 | 124.8 | -77.9 | 0 | 0 | 0 | 0 | 108.5 | | |