| 1 | M | 43.7 | Very low | 44.1 | Very low | 236 Ų | 236 | 155.6 Ų | 155.6 | 100% | 1.163 | 82% | 0.823 | S | S | * | * | | | | 0 | 155 | 0 | -71.2 | 166.8 | 78.6 | 0 | 0 | 108.3 | | |
| 2 | I | 43.4 | Very low | 43.7 | Very low | 171 Ų | 171 | 149 Ų | 149 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | | | trans | 108.9 | 129.3 | -175.1 | -63 | 163 | 0 | 0 | 0 | 111.2 | | |
| 3 | P | 50.7 | Low | 43.8 | Very low | 105 Ų | 105 | 149.2 Ų | 149.2 | 68% | 0.682 | 82% | 0.819 | S | S | * | * | | | trans | -125.2 | -162.9 | -155.8 | 25.5 | 0.8 | 0 | 0 | 0 | 112.7 | | |
| 4 | I | 47.2 | Very low | 44.1 | Very low | 148 Ų | 148 | 149.5 Ų | 149.5 | 76% | 0.759 | 82% | 0.817 | S | S | * | * | | | trans | 126 | 114.7 | 140.4 | -66.5 | 161.5 | 0 | 0 | 0 | 116.6 | | |
| 5 | S | 46.5 | Very low | 44.4 | Very low | 110 Ų | 110 | 152.5 Ų | 152.5 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | | | trans | 63 | 117.1 | 149.7 | 69.1 | 0 | 0 | 0 | 0 | 122.6 | | |
| 6 | E | 41 | Very low | 44.6 | Very low | 168 Ų | 168 | 157.2 Ų | 157.2 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | | | trans | -62.3 | 155.2 | 160.2 | -176.9 | 178 | 173 | 0 | 0 | 114.2 | Q8 | E6-Q8 PolarHBondContact OE1-NE2 3.44Š|
| 7 | S | 44.8 | Very low | 44.6 | Very low | 108 Ų | 108 | 155.2 Ų | 155.2 | 76% | 0.755 | 82% | 0.818 | S | S | * | * | | | trans | -114.3 | 141 | 178.3 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 8 | Q | 42.4 | Very low | 44.3 | Very low | 158 Ų | 158 | 153.3 Ų | 153.3 | 74% | 0.738 | 82% | 0.818 | S | S | * | * | | | trans | -130.3 | 137 | 173.2 | -72 | -68.2 | -22.7 | 0 | 0 | 110.2 | E6 | E6-Q8 PolarHBondContact OE1-NE2 3.44Š|
| 9 | P | 41 | Very low | 44.2 | Very low | 115 Ų | 115 | 153.3 Ų | 153.3 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 157.4 | -169.1 | 34.3 | -35.8 | 0 | 0 | 0 | 114.5 | | |
| 10 | Q | 45.2 | Very low | 44.5 | Very low | 196 Ų | 196 | 155.4 Ų | 155.4 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 153 | -175.4 | -64.4 | -165.9 | 11.3 | 0 | 0 | 115 | | |
| 11 | F | 39.8 | Very low | 44.3 | Very low | 197 Ų | 197 | 155.3 Ų | 155.3 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 135.1 | 174.7 | -80.7 | -100.3 | 0 | 0 | 0 | 113.5 | | |
| 12 | G | 38.3 | Very low | 44.1 | Very low | 76 Ų | 76 | 150.2 Ų | 150.2 | 78% | 0.784 | 80% | 0.804 | S | S | * | * | | | trans | -87.7 | 115.4 | 170 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 13 | N | 45.8 | Very low | 44.2 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 79% | 0.794 | S | S | * | * | | | trans | -98.3 | 118.1 | 177.1 | -79.2 | -53.3 | 0 | 0 | 0 | 112.4 | K15 | N13-K15 PolarHBondContact O-N 3.44Š|
| 14 | I | 48.4 | Very low | 43.5 | Very low | 154 Ų | 154 | 147.9 Ų | 147.9 | 79% | 0.79 | 79% | 0.794 | S | S | * | * | | | trans | -92 | 100.1 | 176 | -59.9 | 172.6 | 0 | 0 | 0 | 110.2 | | |
| 15 | K | 47.6 | Very low | 43.3 | Very low | 194 Ų | 194 | 146.6 Ų | 146.6 | 84% | 0.843 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 125.3 | 169.4 | -82.6 | 178.4 | 173.7 | 174.4 | 0 | 110.6 | N13 | N13-K15 PolarHBondContact O-N 3.44Š|
| 16 | R | 48.1 | Very low | 42.9 | Very low | 228 Ų | 228 | 149.3 Ų | 149.3 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -96 | 119.3 | 163.6 | -69.7 | -172.1 | 179.5 | 102.2 | -0.5 | 109.8 | | |
| 17 | T | 44.3 | Very low | 43 | Very low | 124 Ų | 124 | 144.6 Ų | 144.6 | 76% | 0.761 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 120.6 | 175.9 | 49.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 18 | C | 40.1 | Very low | 42.8 | Very low | 121 Ų | 121 | 148.2 Ų | 148.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | -114.4 | 89.9 | 176.2 | -65.5 | 0 | 0 | 0 | 0 | 110.6 | | |
| 19 | N | 42.4 | Very low | 42.9 | Very low | 152 Ų | 152 | 147.9 Ų | 147.9 | 81% | 0.813 | 79% | 0.789 | S | S | * | * | | | trans | -89 | 113.7 | 172.1 | -70.6 | -13.9 | 0 | 0 | 0 | 110.1 | | |
| 20 | K | 49.9 | Very low | 43 | Very low | 195 Ų | 195 | 149.8 Ų | 149.8 | 85% | 0.848 | 79% | 0.793 | S | S | * | * | | | trans | -168.7 | 107.5 | 148.2 | -109.8 | 157.9 | -173.5 | 177.4 | 0 | 113.6 | | |
| 21 | I | 39.3 | Very low | 43.4 | Very low | 155 Ų | 155 | 147.2 Ų | 147.2 | 80% | 0.795 | 78% | 0.784 | S | S | * | * | | | trans | 49.3 | 90.9 | 141.4 | -46.6 | 173.3 | 0 | 0 | 0 | 116 | | |
| 22 | C | 40.6 | Very low | 43.8 | Very low | 129 Ų | 129 | 141.8 Ų | 141.8 | 87% | 0.872 | 76% | 0.764 | S | S | * | * | | | trans | -106.6 | 105.3 | 150.3 | -171.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 23 | A | 44.2 | Very low | 44.6 | Very low | 81 Ų | 81 | 142.6 Ų | 142.6 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | | | trans | -85.8 | 124.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 24 | Q | 36.4 | Very low | 44.8 | Very low | 146 Ų | 146 | 141.1 Ų | 141.1 | 68% | 0.682 | 74% | 0.743 | S | S | * | * | | | trans | -73.2 | 138.2 | 170.1 | -70.8 | -167.9 | -12.2 | 0 | 0 | 110.5 | Q26 | Q24-Q26 HydrophobicContact CB-CG 4.5Š|
| 25 | P | 44.1 | Very low | 45.1 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | | | trans | -98.5 | 106.6 | 147.3 | 16.9 | 1.6 | 0 | 0 | 0 | 108.7 | S27 | P25-S27 PolarHBondContact O-N 2.84Š|
| 26 | Q | 37.7 | Very low | 44.9 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 78% | 0.78 | 72% | 0.724 | S | S | * | * | | | trans | -85.4 | 82.8 | 166.2 | -67.4 | -176.5 | 8.7 | 0 | 0 | 109.8 | Q24 | Q24-Q26 HydrophobicContact CB-CG 4.5Š|
| 27 | S | 42.9 | Very low | 45.2 | Very low | 69 Ų | 69 | 131.5 Ų | 131.5 | 48% | 0.483 | 71% | 0.706 | S | S | . | * | | | trans | -167.1 | 136 | 150.6 | 57.2 | 0 | 0 | 0 | 0 | 110.7 | P25 E29 | P25-S27 PolarHBondContact O-N 2.84Å; S27-E29 WeakPolarHBondContact CB-OE1 3.41Å; S27-E29 PolarHBondContact O-N 3.32Å; S27-E29 VanDerWaalsContact O-N 3.13Å; S27-E29 PolarHBondContact OG-OE1 3.44Å |
| 28 | I | 40.5 | Very low | 45.8 | Very low | 183 Ų | 183 | 131.9 Ų | 131.9 | 94% | 0.938 | 70% | 0.697 | S | S | * | * | | | trans | -84 | 77.7 | 167.9 | -61.7 | 170.2 | 0 | 0 | 0 | 106.5 | N30 | I28-N30 PolarHBondContact O-N 3.48Š|
| 29 | E | 45 | Very low | 46.4 | Very low | 152 Ų | 152 | 128.9 Ų | 128.9 | 71% | 0.71 | 68% | 0.678 | S | S | * | * | | | trans | -93.8 | 93.6 | 176.2 | -85.6 | 174.6 | -129 | 0 | 0 | 111.3 | S27 I31 | S27-E29 WeakPolarHBondContact CB-OE1 3.41Å; S27-E29 PolarHBondContact O-N 3.32Å; S27-E29 VanDerWaalsContact O-N 3.13Å; S27-E29 PolarHBondContact OG-OE1 3.44Å; E29-I31 PolarHBondContact O-N 3.13Å |
| 30 | N | 43 | Very low | 47 | Very low | 154 Ų | 154 | 124.5 Ų | 124.5 | 82% | 0.824 | 66% | 0.657 | S | S | * | * | | | trans | 17.6 | 86.4 | 146.8 | -152.2 | -10.3 | 0 | 0 | 0 | 115.8 | I28 N32 | I28-N30 PolarHBondContact O-N 3.48Å; N30-N32 PolarHBondContact O-N 3.11Å |
| 31 | I | 52.5 | Low | 47.1 | Very low | 143 Ų | 143 | 119.3 Ų | 119.3 | 73% | 0.733 | 64% | 0.638 | S | S | * | * | | | trans | -72.6 | 90.1 | -177.2 | -57.6 | 174.7 | 0 | 0 | 0 | 109.8 | E29 | E29-I31 PolarHBondContact O-N 3.13Š|
| 32 | N | 48.3 | Very low | 47.8 | Very low | 83 Ų | 83 | 118.8 Ų | 118.8 | 44% | 0.444 | 63% | 0.63 | S | S | . | * | | | trans | -59.4 | 125 | 173.4 | -178.9 | -20 | 0 | 0 | 0 | 110.4 | N30 Q34 N35 | N30-N32 PolarHBondContact O-N 3.11Å; N32-Q34 PolarHBondContact O-N 3.05Å; N32-Q34 WeakPolarHBondContact OD1-CB 3.46Å; N32-Q34 VanDerWaalsContact OD1-CG 3.29Å; N32-Q34 WeakPolarHBondContact OD1-CG 3.21Å; N32-Q34 PolarHBondContact OD1-N 3.18Å; N32-N35 PolarHBondContact O-N 2.99Å |
| 33 | P | 55.2 | Low | 48 | Very low | 92 Ų | 92 | 121 Ų | 121 | 60% | 0.597 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -58.5 | -24.3 | -178.9 | 21.4 | -32.7 | 0 | 0 | 0 | 113.8 | N35 W36 N37 | P33-N35 VanDerWaalsContact C-N 3.25Å; P33-N35 PolarHBondContact O-N 2.9Å; P33-W36 PolarHBondContact O-N 3.23Å; P33-N37 PolarHBondContact O-N 2.87Å |
| 34 | Q | 51.3 | Low | 48.3 | Very low | 121 Ų | 121 | 122.8 Ų | 122.8 | 57% | 0.565 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -57.7 | -35.1 | 171.2 | -66.9 | -84.1 | -13.4 | 0 | 0 | 112.7 | N32 K38 | N32-Q34 PolarHBondContact O-N 3.05Å; N32-Q34 WeakPolarHBondContact OD1-CB 3.46Å; N32-Q34 VanDerWaalsContact OD1-CG 3.29Å; N32-Q34 WeakPolarHBondContact OD1-CG 3.21Å; N32-Q34 PolarHBondContact OD1-N 3.18Å; Q34-K38 WeakPolarHBondContact O-CG 3.33Å; Q34-K38 PolarHBondContact O-N 3.46Å; Q34-K38 VanDerWaalsContact O-N 3.13Å |
| 35 | N | 54.8 | Low | 48.8 | Very low | 102 Ų | 102 | 122.2 Ų | 122.2 | 55% | 0.545 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -77.6 | -31.3 | 179 | -101.2 | -5.1 | 0 | 0 | 0 | 112.5 | N32 P33 K38 S39 | N32-N35 PolarHBondContact O-N 2.99Å; P33-N35 VanDerWaalsContact C-N 3.25Å; P33-N35 PolarHBondContact O-N 2.9Å; N35-K38 PolarHBondContact O-N 3.25Å; N35-S39 PolarHBondContact O-N 2.87Å |
| 36 | W | 42.8 | Very low | 49 | Very low | 182 Ų | 182 | 122.3 Ų | 122.3 | 69% | 0.689 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64.4 | -45.9 | 173.8 | -159.4 | 50.7 | 0 | 0 | 0 | 110.5 | P33 K38 S39 V40 | P33-W36 PolarHBondContact O-N 3.23Å; W36-K38 PolarHBondContact O-N 2.91Å; W36-S39 WeakPolarHBondContact O-CB 3.36Å; W36-S39 PolarHBondContact O-N 3.22Å; W36-S39 VanDerWaalsContact O-N 3.12Å; W36-V40 WeakPolarHBondContact O-CG2 3.46Å; W36-V40 PolarHBondContact O-N 3.19Å |
| 37 | N | 53.7 | Low | 49.5 | Very low | 90 Ų | 90 | 122.3 Ų | 122.3 | 48% | 0.481 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -59.6 | -42.7 | 173.8 | -71.8 | -23.6 | 0 | 0 | 0 | 112.8 | P33 S39 V40 N41 | P33-N37 PolarHBondContact O-N 2.87Å; N37-S39 VanDerWaalsContact C-N 3.32Å; N37-S39 PolarHBondContact O-N 3.42Å; N37-V40 PolarHBondContact O-N 3.35Å; N37-N41 VanDerWaalsContact O-CB 3.23Å; N37-N41 WeakPolarHBondContact O-CB 3.32Å; N37-N41 PolarHBondContact O-N 3.19Å; N37-N41 PolarHBondContact O-ND2 3.22Å |
| 38 | K | 58 | Low | 49.3 | Very low | 131 Ų | 131 | 125.1 Ų | 125.1 | 57% | 0.57 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.8 | -39.1 | 174 | -74.3 | 170.8 | -175.5 | 176.9 | 0 | 112.4 | Q34 N35 W36 K42 | Q34-K38 WeakPolarHBondContact O-CG 3.33Å; Q34-K38 PolarHBondContact O-N 3.46Å; Q34-K38 VanDerWaalsContact O-N 3.13Å; N35-K38 PolarHBondContact O-N 3.25Å; W36-K38 PolarHBondContact O-N 2.91Å; K38-K42 WeakPolarHBondContact O-CB 3.29Å; K38-K42 PolarHBondContact O-N 2.75Å |
| 39 | S | 51.8 | Low | 49.4 | Very low | 58 Ų | 58 | 128 Ų | 128 | 41% | 0.406 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.4 | -55.8 | 176.1 | -158.6 | 0 | 0 | 0 | 0 | 110.5 | N35 W36 N37 N41 K42 W43 | N35-S39 PolarHBondContact O-N 2.87Å; W36-S39 WeakPolarHBondContact O-CB 3.36Å; W36-S39 PolarHBondContact O-N 3.22Å; W36-S39 VanDerWaalsContact O-N 3.12Å; N37-S39 VanDerWaalsContact C-N 3.32Å; N37-S39 PolarHBondContact O-N 3.42Å; S39-N41 VanDerWaalsContact C-N 3.28Å; S39-N41 PolarHBondContact O-N 3.06Å; S39-K42 WeakPolarHBondContact O-CA 3.31Å; S39-K42 VanDerWaalsContact O-CB 3.26Å; S39-K42 WeakPolarHBondContact O-CB 3.21Å; S39-K42 PolarHBondContact O-N 2.67Å; S39-W43 PolarHBondContact O-N 3.36Å; S39-W43 VanDerWaalsContact O-N 3.1Å |
| 40 | V | 55.3 | Low | 49.5 | Very low | 61 Ų | 61 | 130 Ų | 130 | 37% | 0.37 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -54.6 | -42.3 | 177.9 | 173.9 | 0 | 0 | 0 | 0 | 111.9 | W36 N37 K42 W43 N44 | W36-V40 WeakPolarHBondContact O-CG2 3.46Å; W36-V40 PolarHBondContact O-N 3.19Å; N37-V40 PolarHBondContact O-N 3.35Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 3.22Å; V40-W43 PolarHBondContact O-N 3.25Å; V40-N44 PolarHBondContact O-N 3.1Å |
| 41 | N | 52.3 | Low | 49.7 | Very low | 85 Ų | 85 | 128.2 Ų | 128.2 | 46% | 0.455 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -67.8 | -29.9 | 175.8 | -70.7 | -19.8 | 0 | 0 | 0 | 113 | N37 S39 N44 N45 | N37-N41 VanDerWaalsContact O-CB 3.23Å; N37-N41 WeakPolarHBondContact O-CB 3.32Å; N37-N41 PolarHBondContact O-N 3.19Å; N37-N41 PolarHBondContact O-ND2 3.22Å; S39-N41 VanDerWaalsContact C-N 3.28Å; S39-N41 PolarHBondContact O-N 3.06Å; N41-N44 PolarHBondContact O-N 3.45Å; N41-N45 WeakPolarHBondContact O-CB 3.23Å; N41-N45 PolarHBondContact O-N 3.48Å; N41-N45 PolarHBondContact O-ND2 3.44Å; N41-N45 VanDerWaalsContact O-ND2 3.13Å |
| 42 | K | 53.4 | Low | 49.3 | Very low | 145 Ų | 145 | 130 Ų | 130 | 63% | 0.63 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -67.9 | -35.2 | 172.2 | -165.1 | 175.2 | -176.6 | 177.9 | 0 | 112 | K38 S39 V40 Q46 | K38-K42 WeakPolarHBondContact O-CB 3.29Å; K38-K42 PolarHBondContact O-N 2.75Å; S39-K42 WeakPolarHBondContact O-CA 3.31Å; S39-K42 VanDerWaalsContact O-CB 3.26Å; S39-K42 WeakPolarHBondContact O-CB 3.21Å; S39-K42 PolarHBondContact O-N 2.67Å; V40-K42 VanDerWaalsContact C-N 3.33Å; V40-K42 PolarHBondContact O-N 3.22Å; K42-Q46 WeakPolarHBondContact O-CG 3.24Å; K42-Q46 PolarHBondContact O-N 3.21Å |
| 43 | W | 45.1 | Very low | 49.4 | Very low | 176 Ų | 176 | 129.9 Ų | 129.9 | 67% | 0.667 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -69.8 | -40.1 | 171.2 | -68.2 | 91.3 | 0 | 0 | 0 | 112 | S39 V40 | S39-W43 PolarHBondContact O-N 3.36Å; S39-W43 VanDerWaalsContact O-N 3.1Å; V40-W43 PolarHBondContact O-N 3.25Å |
| 44 | N | 51 | Low | 48.9 | Very low | 117 Ų | 117 | 132.6 Ų | 132.6 | 63% | 0.626 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -69.4 | -35.4 | 176.8 | -79.3 | -23.8 | 0 | 0 | 0 | 113.5 | V40 N41 Q46 | V40-N44 PolarHBondContact O-N 3.1Å; N41-N44 PolarHBondContact O-N 3.45Å; N44-Q46 VanDerWaalsContact C-N 3.34Å |
| 45 | N | 45.6 | Very low | 48.4 | Very low | 134 Ų | 134 | 134.8 Ų | 134.8 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -4.4 | -178.2 | -69.1 | -29.7 | 0 | 0 | 0 | 113.8 | N41 K47 | N41-N45 WeakPolarHBondContact O-CB 3.23Å; N41-N45 PolarHBondContact O-N 3.48Å; N41-N45 PolarHBondContact O-ND2 3.44Å; N41-N45 VanDerWaalsContact O-ND2 3.13Å; N45-K47 VanDerWaalsContact C-N 3.3Å; N45-K47 PolarHBondContact O-N 2.76Å |
| 46 | Q | 48.2 | Very low | 47.6 | Very low | 124 Ų | 124 | 134.1 Ų | 134.1 | 58% | 0.579 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -77.9 | 80.8 | 173 | -85 | 179 | -26.7 | 0 | 0 | 112.1 | K42 N44 Y48 | K42-Q46 WeakPolarHBondContact O-CG 3.24Å; K42-Q46 PolarHBondContact O-N 3.21Å; N44-Q46 VanDerWaalsContact C-N 3.34Å; Q46-Y48 WeakPolarHBondContact O-CD2 3.37Å; Q46-Y48 PolarHBondContact O-N 3.17Å; Q46-Y48 VanDerWaalsContact O-N 3.15Å |
| 47 | K | 48.4 | Very low | 47.2 | Very low | 166 Ų | 166 | 133.3 Ų | 133.3 | 72% | 0.722 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 74.9 | -2.7 | 144.2 | -139 | 176.8 | -173.2 | -179 | 0 | 119.3 | N45 | N45-K47 VanDerWaalsContact C-N 3.3Å; N45-K47 PolarHBondContact O-N 2.76Å |
| 48 | Y | 39 | Very low | 46.2 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 50% | 0.502 | 68% | 0.682 | S | S | . | * | | | trans | -141.3 | 58.1 | -173.7 | -59.5 | -83.5 | 0 | 0 | 0 | 117.8 | Q46 | Q46-Y48 WeakPolarHBondContact O-CD2 3.37Å; Q46-Y48 PolarHBondContact O-N 3.17Å; Q46-Y48 VanDerWaalsContact O-N 3.15Å |
| 49 | R | 42.1 | Very low | 45.3 | Very low | 244 Ų | 244 | 137.4 Ų | 137.4 | 92% | 0.921 | 69% | 0.689 | S | S | * | * | | | trans | -148.2 | 115.8 | 145.7 | -75.6 | -155.4 | -173.8 | -152.1 | 4.6 | 111.3 | | |
| 50 | K | 48.6 | Very low | 44.7 | Very low | 194 Ų | 194 | 140.8 Ų | 140.8 | 84% | 0.843 | 71% | 0.707 | S | S | * | * | | | trans | -86.7 | 145.8 | 158.2 | -67.7 | -176.6 | 179 | -178.3 | 0 | 108.2 | L52 | K50-L52 PolarHBondContact O-N 3.32Š|
| 51 | P | 47.3 | Very low | 43.7 | Very low | 116 Ų | 116 | 149 Ų | 149 | 75% | 0.753 | 73% | 0.731 | S | S | * | * | | | trans | -59.1 | 136.3 | 176.6 | -24 | 34.4 | 0 | 0 | 0 | 112 | A53 | P51-A53 PolarHBondContact O-N 2.89Š|
| 52 | L | 44.1 | Very low | 43.1 | Very low | 181 Ų | 181 | 151.1 Ų | 151.1 | 95% | 0.948 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 29.1 | -170 | -152.5 | 76.6 | 0 | 0 | 0 | 113.9 | K50 | K50-L52 PolarHBondContact O-N 3.32Š|
| 53 | A | 50.4 | Low | 42.4 | Very low | 81 Ų | 81 | 152.5 Ų | 152.5 | 67% | 0.669 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | -17.8 | -164.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | P51 | P51-A53 PolarHBondContact O-N 2.89Š|
| 54 | N | 44.1 | Very low | 41.9 | Very low | 148 Ų | 148 | 150.9 Ų | 150.9 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | | | trans | -122.9 | 37.2 | -168.1 | -74 | -6.7 | 0 | 0 | 0 | 114.3 | | |
| 55 | L | 39.9 | Very low | 41.3 | Very low | 168 Ų | 168 | 154 Ų | 154 | 88% | 0.88 | 77% | 0.769 | S | S | * | * | | | trans | -115.1 | 52.3 | 176.6 | -75.4 | 167.4 | 0 | 0 | 0 | 112.1 | N57 | L55-N57 PolarHBondContact O-N 2.97Š|
| 56 | S | 37.8 | Very low | 40.8 | Very low | 88 Ų | 88 | 153.2 Ų | 153.2 | 62% | 0.615 | 77% | 0.773 | S | S | * | * | | | trans | -78.4 | 108.4 | 168.5 | 53.5 | 0 | 0 | 0 | 0 | 111.4 | T58 | S56-T58 PolarHBondContact O-N 3.07Å; S56-T58 VanDerWaalsContact O-N 3.13Å; S56-T58 PolarHBondContact O-OG1 3.36Å |
| 57 | N | 35.1 | Very low | 40.6 | Very low | 164 Ų | 164 | 153 Ų | 153 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | S | Bend | trans | 46.2 | 52.3 | 142.1 | -54.8 | -7.4 | 0 | 0 | 0 | 117.8 | L55 | L55-N57 PolarHBondContact O-N 2.97Š|
| 58 | T | 33.3 | Very low | 40.6 | Very low | 128 Ų | 128 | 151.9 Ų | 151.9 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | | | trans | -140.2 | 72.7 | 171.9 | 34.2 | 0 | 0 | 0 | 0 | 112.5 | S56 | S56-T58 PolarHBondContact O-N 3.07Å; S56-T58 VanDerWaalsContact O-N 3.13Å; S56-T58 PolarHBondContact O-OG1 3.36Å |
| 59 | Y | 38.6 | Very low | 40.9 | Very low | 180 Ų | 180 | 155 Ų | 155 | 71% | 0.706 | 80% | 0.799 | S | S | * | * | | | trans | -141.6 | 58 | 155.3 | -164 | -102.1 | 0 | 0 | 0 | 110.8 | M62 | Y59-M62 HydrophobicContact CE2-CB 3.88Å; Y59-M62 HydrophobicContact CE2-CG 4.1Å; Y59-M62 WeakPolarHBondContact OH-CB 3.32Å; Y59-M62 PolarHBondContact OH-O 3.13Å |
| 60 | T | 39 | Very low | 41.1 | Very low | 128 Ų | 128 | 149.9 Ų | 149.9 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | | | trans | -76.1 | 130.7 | 153.5 | 32.5 | 0 | 0 | 0 | 0 | 108.3 | | |
| 61 | R | 34.2 | Very low | 40.8 | Very low | 233 Ų | 233 | 148 Ų | 148 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | | | trans | 58.3 | 79 | 155.6 | -169 | -174.8 | -177.4 | 162.4 | 1.3 | 116.1 | | |
| 62 | M | 40 | Very low | 40.8 | Very low | 130 Ų | 130 | 152.7 Ų | 152.7 | 64% | 0.64 | 79% | 0.791 | S | S | * | * | | | trans | -129.4 | 100.6 | 150.1 | -64.8 | -158.9 | 76 | 0 | 0 | 111.1 | Y59 | Y59-M62 HydrophobicContact CE2-CB 3.88Å; Y59-M62 HydrophobicContact CE2-CG 4.1Å; Y59-M62 WeakPolarHBondContact OH-CB 3.32Å; Y59-M62 PolarHBondContact OH-O 3.13Å |
| 63 | E | 39.1 | Very low | 40.9 | Very low | 174 Ų | 174 | 149.8 Ų | 149.8 | 81% | 0.813 | 78% | 0.783 | S | S | * | * | | | trans | 26.3 | 134.4 | 141.9 | -65.5 | 172 | 176.4 | 0 | 0 | 121.6 | E65 | E63-E65 PolarHBondContact O-N 3.06Š|
| 64 | T | 34.3 | Very low | 40.4 | Very low | 143 Ų | 143 | 153.4 Ų | 153.4 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | | | trans | -80.3 | 93.8 | 176.9 | 47.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 65 | E | 37.3 | Very low | 40.3 | Very low | 181 Ų | 181 | 153.7 Ų | 153.7 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | | | trans | -137.2 | 111.2 | 161.9 | -72.2 | -156.6 | 155.2 | 0 | 0 | 112.8 | E63 | E63-E65 PolarHBondContact O-N 3.06Š|
| 66 | C | 36 | Very low | 40.8 | Very low | 118 Ų | 118 | 155.7 Ų | 155.7 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | | | trans | -103.1 | 113.5 | 166.5 | -71.7 | 0 | 0 | 0 | 0 | 108.7 | I68 | C66-I68 PolarHBondContact O-N 3.49Š|
| 67 | P | 43.3 | Very low | 41.2 | Very low | 119 Ų | 119 | 161 Ų | 161 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | | | trans | -77.2 | 90.6 | 179.7 | 30.2 | -33.8 | 0 | 0 | 0 | 111 | K69 | P67-K69 PolarHBondContact O-N 3.35Å; P67-K69 VanDerWaalsContact O-N 3.17Å |
| 68 | I | 48.4 | Very low | 41.6 | Very low | 143 Ų | 143 | 161.7 Ų | 161.7 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | | | trans | -73 | 101.5 | 167 | -56 | 175.5 | 0 | 0 | 0 | 107.9 | C66 L70 | C66-I68 PolarHBondContact O-N 3.49Å; I68-L70 HydrophobicContact CG2-CB 4.28Å; I68-L70 PolarHBondContact O-N 2.93Å |
| 69 | K | 46.9 | Very low | 42.3 | Very low | 194 Ų | 194 | 164.1 Ų | 164.1 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -72.8 | 92.2 | 167.8 | -70.9 | -168.7 | 176.6 | -171.7 | 0 | 109.8 | P67 | P67-K69 PolarHBondContact O-N 3.35Å; P67-K69 VanDerWaalsContact O-N 3.17Å |
| 70 | L | 44.5 | Very low | 42.3 | Very low | 137 Ų | 137 | 162 Ų | 162 | 72% | 0.717 | 81% | 0.813 | S | S | * | * | | | trans | -98.6 | 83.9 | 179.1 | -173.4 | 72.9 | 0 | 0 | 0 | 111.3 | I68 | I68-L70 HydrophobicContact CG2-CB 4.28Å; I68-L70 PolarHBondContact O-N 2.93Å |
| 71 | D | 43.5 | Very low | 42.4 | Very low | 153 Ų | 153 | 160.1 Ų | 160.1 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | | | trans | -98.6 | 70.6 | 171.9 | -77.9 | -44.4 | 0 | 0 | 0 | 112.3 | | |
| 72 | R | 47.2 | Very low | 43 | Very low | 215 Ų | 215 | 154.4 Ų | 154.4 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -157 | 133 | 157.6 | -146.5 | 123.4 | -96.6 | -102.8 | 1.9 | 110.5 | | |
| 73 | P | 45.1 | Very low | 43.1 | Very low | 120 Ų | 120 | 153 Ų | 153 | 78% | 0.779 | 81% | 0.809 | S | S | * | * | | | trans | -81 | 153 | -157.3 | 31.1 | -35.1 | 0 | 0 | 0 | 114.2 | N75 | P73-N75 PolarHBondContact O-N 3.47Š|
| 74 | L | 40.9 | Very low | 43.6 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 83% | 0.827 | 81% | 0.805 | S | S | * | * | | | trans | -50.4 | 117 | 166.2 | -92.1 | 65.9 | 0 | 0 | 0 | 110.6 | | |
| 75 | N | 42.5 | Very low | 44.5 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | | | trans | -179.3 | 90.8 | 141.7 | -97.2 | -34.3 | 0 | 0 | 0 | 110.7 | P73 | P73-N75 PolarHBondContact O-N 3.47Š|
| 76 | K | 50.8 | Low | 45.3 | Very low | 209 Ų | 209 | 144.8 Ų | 144.8 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -171.7 | 93.2 | 153.4 | -99.8 | 141.9 | -164.3 | 179.4 | 0 | 111.6 | | |
| 77 | K | 45 | Very low | 46.2 | Very low | 201 Ų | 201 | 144.3 Ų | 144.3 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | 47.2 | 95.2 | 142.6 | -145.9 | 167.5 | -169.5 | 172.2 | 0 | 116.7 | K79 | K77-K79 PolarHBondContact O-N 2.89Å; K77-K79 VanDerWaalsContact O-N 3.08Å |
| 78 | L | 43.7 | Very low | 46.8 | Very low | 177 Ų | 177 | 142.7 Ų | 142.7 | 93% | 0.927 | 79% | 0.786 | S | S | * | * | | | trans | -48.2 | 114.7 | 157.4 | -75.1 | 157.7 | 0 | 0 | 0 | 109.4 | | |
| 79 | K | 48.2 | Very low | 47.3 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 78% | 0.783 | 79% | 0.79 | S | S | * | * | | | trans | -126.3 | 97.8 | 165.8 | -156 | -179.4 | -175.6 | -173.8 | 0 | 108.3 | K77 C81 | K77-K79 PolarHBondContact O-N 2.89Å; K77-K79 VanDerWaalsContact O-N 3.08Å; K79-C81 PolarHBondContact O-N 2.84Å; K79-C81 VanDerWaalsContact O-N 3.14Å |
| 80 | T | 38.5 | Very low | 48 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | | | trans | -61.7 | 106.4 | 173.2 | 46.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 81 | C | 41.7 | Very low | 49.1 | Very low | 90 Ų | 90 | 137.6 Ų | 137.6 | 61% | 0.608 | 77% | 0.772 | S | S | * | * | | | trans | -136.6 | 91.8 | 174 | -66.2 | 0 | 0 | 0 | 0 | 109.8 | K79 | K79-C81 PolarHBondContact O-N 2.84Å; K79-C81 VanDerWaalsContact O-N 3.14Å |
| 82 | S | 45.6 | Very low | 50.6 | Low | 113 Ų | 113 | 132.9 Ų | 132.9 | 79% | 0.79 | 75% | 0.748 | S | S | * | * | | | trans | 51.4 | 115.9 | 136.3 | -46.3 | 0 | 0 | 0 | 0 | 119.2 | S84 | S82-S84 PolarHBondContact O-N 3.47Š|
| 83 | A | 42.6 | Very low | 52.3 | Low | 99 Ų | 99 | 127.2 Ų | 127.2 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | | | trans | -58.5 | 104.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S85 | A83-S85 VanDerWaalsContact C-N 3.33Å; A83-S85 PolarHBondContact O-N 3.33Å |
| 84 | S | 50 | Low | 54.3 | Low | 103 Ų | 103 | 124.6 Ų | 124.6 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | | | trans | -95 | 60.8 | 166.6 | 46.2 | 0 | 0 | 0 | 0 | 110.4 | S82 S86 | S82-S84 PolarHBondContact O-N 3.47Å; S84-S86 PolarHBondContact O-N 3.34Å |
| 85 | S | 52.8 | Low | 56.5 | Low | 113 Ų | 113 | 122.1 Ų | 122.1 | 79% | 0.79 | 70% | 0.704 | S | S | * | * | | | trans | -77.9 | 64.1 | 178.9 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | A83 | A83-S85 VanDerWaalsContact C-N 3.33Å; A83-S85 PolarHBondContact O-N 3.33Å |
| 86 | S | 53.9 | Low | 58.7 | Low | 110 Ų | 110 | 118.1 Ų | 118.1 | 77% | 0.769 | 68% | 0.682 | S | S | * | * | | | trans | -154 | 29.9 | -173 | 55.5 | 0 | 0 | 0 | 0 | 116.9 | S84 | S84-S86 PolarHBondContact O-N 3.34Š|
| 87 | S | 54.6 | Low | 60.7 | Low | 108 Ų | 108 | 112.4 Ų | 112.4 | 76% | 0.755 | 66% | 0.661 | S | S | * | * | | | trans | -149.6 | 32.3 | 170.2 | 63.8 | 0 | 0 | 0 | 0 | 115.2 | | |
| 88 | S | 56.8 | Low | 63 | Low | 85 Ų | 85 | 106.9 Ų | 106.9 | 59% | 0.594 | 64% | 0.644 | S | S | * | * | | | trans | -85.7 | -16.3 | -166.9 | -156.2 | 0 | 0 | 0 | 0 | 116.4 | | |
| 89 | Y | 58.8 | Low | 65.5 | Low | 209 Ų | 209 | 106.4 Ų | 106.4 | 82% | 0.82 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76.7 | -27.8 | -167.7 | -71.6 | -76.3 | 0 | 0 | 0 | 115.6 | T92 | Y89-T92 PolarHBondContact O-OG1 3.38Å |
| 90 | G | 61.9 | Low | 67.7 | Low | 63 Ų | 63 | 104.4 Ų | 104.4 | 65% | 0.649 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -79.5 | -22.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 91 | N | 66.3 | Low | 70.5 | Confident | 96 Ų | 96 | 102.3 Ų | 102.3 | 51% | 0.513 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -86.2 | -29.5 | -173.3 | -159.1 | -0.5 | 0 | 0 | 0 | 112.3 | D93 S94 M95 | N91-D93 VanDerWaalsContact C-N 3.32Å; N91-D93 PolarHBondContact O-N 2.94Å; N91-S94 PolarHBondContact O-N 3.18Å; N91-M95 WeakPolarHBondContact O-CG 3.33Å; N91-M95 PolarHBondContact O-N 3.26Å |
| 92 | T | 76.5 | Confident | 73.2 | Confident | 54 Ų | 54 | 102.6 Ų | 102.6 | 33% | 0.331 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -59.1 | -42.2 | 177.5 | 43.8 | 0 | 0 | 0 | 0 | 112.3 | Y89 M95 N96 | Y89-T92 PolarHBondContact O-OG1 3.38Å; T92-M95 HydrophobicContact CG2-CE 4.39Å; T92-M95 PolarHBondContact O-N 3.03Å; T92-N96 VanDerWaalsContact O-CB 3.27Å; T92-N96 WeakPolarHBondContact O-CB 3.37Å; T92-N96 PolarHBondContact O-N 2.81Å; T92-N96 PolarHBondContact O-ND2 3.47Å |
| 93 | D | 82.4 | Confident | 75.7 | Confident | 96 Ų | 96 | 103 Ų | 103 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -71.6 | -40.4 | -180 | -68.2 | -27.6 | 0 | 0 | 0 | 112.1 | N91 M95 N96 I97 | N91-D93 VanDerWaalsContact C-N 3.32Å; N91-D93 PolarHBondContact O-N 2.94Å; D93-M95 PolarHBondContact O-N 3.01Å; D93-N96 PolarHBondContact O-N 3.41Å; D93-I97 WeakPolarHBondContact O-CB 3.42Å; D93-I97 WeakPolarHBondContact O-CD1 3.24Å; D93-I97 WeakPolarHBondContact O-CG1 3.48Å; D93-I97 PolarHBondContact O-N 2.97Å |
| 94 | S | 87.6 | Confident | 78.4 | Confident | 64 Ų | 64 | 102.3 Ų | 102.3 | 45% | 0.448 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -58.3 | -46.4 | 172.2 | -175.6 | 0 | 0 | 0 | 0 | 112.1 | N91 I97 T98 | N91-S94 PolarHBondContact O-N 3.18Å; S94-I97 PolarHBondContact O-N 2.91Å; S94-T98 WeakPolarHBondContact O-CB 3.28Å; S94-T98 PolarHBondContact O-N 3.29Å; S94-T98 PolarHBondContact O-OG1 3.12Å |
| 95 | M | 85.7 | Confident | 80.7 | Confident | 107 Ų | 107 | 105.8 Ų | 105.8 | 53% | 0.527 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.3 | -41.7 | 174.6 | -71.7 | -168.1 | -62.4 | 0 | 0 | 112.3 | N91 T92 D93 T98 R99 | N91-M95 WeakPolarHBondContact O-CG 3.33Å; N91-M95 PolarHBondContact O-N 3.26Å; T92-M95 HydrophobicContact CG2-CE 4.39Å; T92-M95 PolarHBondContact O-N 3.03Å; D93-M95 PolarHBondContact O-N 3.01Å; M95-T98 PolarHBondContact O-N 3.16Å; M95-R99 WeakPolarHBondContact O-CB 3.4Å; M95-R99 PolarHBondContact O-N 3.45Å |
| 96 | N | 89.9 | Confident | 82.8 | Confident | 69 Ų | 69 | 102.9 Ų | 102.9 | 37% | 0.369 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 179.2 | -75.6 | -31.6 | 0 | 0 | 0 | 112.1 | T92 D93 R100 | T92-N96 VanDerWaalsContact O-CB 3.27Å; T92-N96 WeakPolarHBondContact O-CB 3.37Å; T92-N96 PolarHBondContact O-N 2.81Å; T92-N96 PolarHBondContact O-ND2 3.47Å; D93-N96 PolarHBondContact O-N 3.41Å; N96-R100 WeakPolarHBondContact O-CB 3.38Å; N96-R100 VanDerWaalsContact O-CG 3.3Å; N96-R100 WeakPolarHBondContact O-CG 3.27Å; N96-R100 PolarHBondContact O-N 3.13Å |
| 97 | I | 91.7 | Very high | 85 | Confident | 89 Ų | 89 | 104 Ų | 104 | 46% | 0.456 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -46.9 | 173.1 | -68.9 | 162.5 | 0 | 0 | 0 | 109.9 | D93 S94 R99 R100 N101 | D93-I97 WeakPolarHBondContact O-CB 3.42Å; D93-I97 WeakPolarHBondContact O-CD1 3.24Å; D93-I97 WeakPolarHBondContact O-CG1 3.48Å; D93-I97 PolarHBondContact O-N 2.97Å; S94-I97 PolarHBondContact O-N 2.91Å; I97-R99 VanDerWaalsContact C-N 3.34Å; I97-R99 PolarHBondContact O-N 3.39Å; I97-R100 WeakPolarHBondContact O-CB 3.37Å; I97-R100 PolarHBondContact O-N 3.43Å; I97-R100 VanDerWaalsContact O-N 3.13Å; I97-N101 WeakPolarHBondContact O-CB 3.34Å; I97-N101 PolarHBondContact O-N 2.88Å; I97-N101 PolarHBondContact O-OD1 3.24Å |
| 98 | T | 94.4 | Very high | 87.1 | Confident | 86 Ų | 86 | 101.1 Ų | 101.1 | 53% | 0.528 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.7 | -46 | 177.5 | -59.2 | 0 | 0 | 0 | 0 | 111.4 | S94 M95 R100 N101 E102 | S94-T98 WeakPolarHBondContact O-CB 3.28Å; S94-T98 PolarHBondContact O-N 3.29Å; S94-T98 PolarHBondContact O-OG1 3.12Å; M95-T98 PolarHBondContact O-N 3.16Å; T98-R100 PolarHBondContact O-N 3.47Å; T98-N101 PolarHBondContact O-N 2.87Å; T98-E102 PolarHBondContact O-N 2.95Å |
| 99 | R | 95.3 | Very high | 89 | Confident | 166 Ų | 166 | 103 Ų | 103 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.1 | -37.1 | 176.4 | -166.5 | -170 | -73.5 | -100.2 | 1.8 | 112.7 | M95 I97 R103 | M95-R99 WeakPolarHBondContact O-CB 3.4Å; M95-R99 PolarHBondContact O-N 3.45Å; I97-R99 VanDerWaalsContact C-N 3.34Å; I97-R99 PolarHBondContact O-N 3.39Å; R99-R103 WeakPolarHBondContact O-CG 3.41Å; R99-R103 PolarHBondContact O-N 3.37Å |
| 100 | R | 95.1 | Very high | 90.9 | Very high | 138 Ų | 138 | 99 Ų | 99 | 52% | 0.521 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.7 | -47.1 | 173.5 | -77 | 172.8 | -175.9 | 116.8 | 0.1 | 111.3 | N96 I97 T98 E102 R103 E104 | N96-R100 WeakPolarHBondContact O-CB 3.38Å; N96-R100 VanDerWaalsContact O-CG 3.3Å; N96-R100 WeakPolarHBondContact O-CG 3.27Å; N96-R100 PolarHBondContact O-N 3.13Å; I97-R100 WeakPolarHBondContact O-CB 3.37Å; I97-R100 PolarHBondContact O-N 3.43Å; I97-R100 VanDerWaalsContact O-N 3.13Å; T98-R100 PolarHBondContact O-N 3.47Å; R100-E102 VanDerWaalsContact C-N 3.33Å; R100-E102 PolarHBondContact O-N 3.24Å; R100-R103 PolarHBondContact O-N 3.17Å; R100-E104 PolarHBondContact O-N 3.43Å |
| 101 | N | 98 | Very high | 92.6 | Very high | 91 Ų | 91 | 99.8 Ų | 99.8 | 49% | 0.487 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.1 | -38.4 | 179.8 | -68 | -10 | 0 | 0 | 0 | 111.9 | I97 T98 E104 R105 | I97-N101 WeakPolarHBondContact O-CB 3.34Å; I97-N101 PolarHBondContact O-N 2.88Å; I97-N101 PolarHBondContact O-OD1 3.24Å; T98-N101 PolarHBondContact O-N 2.87Å; N101-E104 PolarHBondContact O-N 3.18Å; N101-R105 WeakPolarHBondContact O-CG 3.24Å; N101-R105 PolarHBondContact O-N 2.91Å |
| 102 | E | 97.9 | Very high | 94.2 | Very high | 96 Ų | 96 | 98 Ų | 98 | 45% | 0.449 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -68.6 | -39 | 176.8 | -174 | 51.7 | -146.8 | 0 | 0 | 112.3 | T98 R100 E104 R105 N106 | T98-E102 PolarHBondContact O-N 2.95Å; R100-E102 VanDerWaalsContact C-N 3.33Å; R100-E102 PolarHBondContact O-N 3.24Å; E102-E104 VanDerWaalsContact C-N 3.31Å; E102-E104 PolarHBondContact O-N 2.69Å; E102-R105 PolarHBondContact O-N 3.25Å; E102-R105 WeakPolarHBondContact OE2-CD 3.43Å; E102-N106 PolarHBondContact O-N 3.03Å; E102-N106 PolarHBondContact O-ND2 3.09Å; E102-N106 PolarHBondContact OE1-ND2 2.9Å |
| 103 | R | 98.1 | Very high | 95.2 | Very high | 121 Ų | 121 | 99.6 Ų | 99.6 | 46% | 0.457 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.5 | -41.5 | 170.8 | -71.4 | -165.5 | -54.8 | -92.8 | 5.7 | 111.9 | R99 R100 N106 R107 | R99-R103 WeakPolarHBondContact O-CG 3.41Å; R99-R103 PolarHBondContact O-N 3.37Å; R100-R103 PolarHBondContact O-N 3.17Å; R103-N106 PolarHBondContact O-N 3.26Å; R103-R107 PolarHBondContact O-N 2.97Å |
| 104 | E | 98.1 | Very high | 96 | Very high | 84 Ų | 84 | 96.9 Ų | 96.9 | 39% | 0.393 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 177.9 | -180 | 55.3 | -160.8 | 0 | 0 | 112.4 | R100 N101 E102 N106 R107 V108 | R100-E104 PolarHBondContact O-N 3.43Å; N101-E104 PolarHBondContact O-N 3.18Å; E102-E104 VanDerWaalsContact C-N 3.31Å; E102-E104 PolarHBondContact O-N 2.69Å; E104-N106 VanDerWaalsContact C-N 3.32Å; E104-N106 PolarHBondContact O-N 3.4Å; E104-R107 PolarHBondContact O-N 3.16Å; E104-R107 IonicContact OE1-CZ 2.83Å; E104-R107 IonicContact OE1-NE 3.4Å; E104-R107 PolarHBondContact OE1-NE 3.01Å; E104-R107 IonicContact OE1-NH2 2.68Å; E104-R107 PolarHBondContact OE1-NH2 3.36Å; E104-R107 IonicContact OE2-CZ 3.03Å; E104-R107 IonicContact OE2-NE 3.62Å; E104-R107 PolarHBondContact OE2-NE 3.34Å; E104-R107 IonicContact OE2-NH2 3.65Å; E104-V108 WeakPolarHBondContact O-CG2 3.26Å; E104-V108 PolarHBondContact O-N 3.03Å; E104-V108 WeakPolarHBondContact OE1-CG2 3.36Å |
| 105 | R | 98.5 | Very high | 96.5 | Very high | 177 Ų | 177 | 95.1 Ų | 95.1 | 67% | 0.668 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -56.8 | -45.4 | 171.4 | -74.4 | 173.3 | -176.8 | -94.8 | 0.2 | 111.6 | N101 E102 V108 K109 | N101-R105 WeakPolarHBondContact O-CG 3.24Å; N101-R105 PolarHBondContact O-N 2.91Å; E102-R105 PolarHBondContact O-N 3.25Å; E102-R105 WeakPolarHBondContact OE2-CD 3.43Å; R105-V108 PolarHBondContact O-N 3.48Å; R105-K109 WeakPolarHBondContact O-CB 3.32Å; R105-K109 PolarHBondContact O-N 3.4Å |
| 106 | N | 98.5 | Very high | 97.1 | Very high | 52 Ų | 52 | 94.1 Ų | 94.1 | 28% | 0.278 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 178.5 | -73.8 | -63.3 | 0 | 0 | 0 | 112.7 | E102 R103 E104 K109 L110 | E102-N106 PolarHBondContact O-N 3.03Å; E102-N106 PolarHBondContact O-ND2 3.09Å; E102-N106 PolarHBondContact OE1-ND2 2.9Å; R103-N106 PolarHBondContact O-N 3.26Å; E104-N106 VanDerWaalsContact C-N 3.32Å; E104-N106 PolarHBondContact O-N 3.4Å; N106-K109 WeakPolarHBondContact O-CB 3.32Å; N106-K109 PolarHBondContact O-N 3.38Å; N106-L110 PolarHBondContact O-N 3.15Å |
| 107 | R | 98.6 | Very high | 97.5 | Very high | 133 Ų | 133 | 98.7 Ų | 98.7 | 50% | 0.502 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 172.3 | -167.8 | -163.5 | 69.9 | 81.7 | 0.4 | 111.8 | R103 E104 L110 L111 | R103-R107 PolarHBondContact O-N 2.97Å; E104-R107 PolarHBondContact O-N 3.16Å; E104-R107 IonicContact OE1-CZ 2.83Å; E104-R107 IonicContact OE1-NE 3.4Å; E104-R107 PolarHBondContact OE1-NE 3.01Å; E104-R107 IonicContact OE1-NH2 2.68Å; E104-R107 PolarHBondContact OE1-NH2 3.36Å; E104-R107 IonicContact OE2-CZ 3.03Å; E104-R107 IonicContact OE2-NE 3.62Å; E104-R107 PolarHBondContact OE2-NE 3.34Å; E104-R107 IonicContact OE2-NH2 3.65Å; R107-L110 PolarHBondContact O-N 3.37Å; R107-L111 PolarHBondContact O-N 3.42Å |
| 108 | V | 98.5 | Very high | 97.8 | Very high | 48 Ų | 48 | 97 Ų | 97 | 29% | 0.291 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -67.3 | -35.5 | 178 | 172.4 | 0 | 0 | 0 | 0 | 111.8 | E104 R105 L111 N112 | E104-V108 WeakPolarHBondContact O-CG2 3.26Å; E104-V108 PolarHBondContact O-N 3.03Å; E104-V108 WeakPolarHBondContact OE1-CG2 3.36Å; R105-V108 PolarHBondContact O-N 3.48Å; V108-L111 PolarHBondContact O-N 3.06Å; V108-N112 VanDerWaalsContact O-CG 3.32Å; V108-N112 PolarHBondContact O-N 2.83Å; V108-N112 PolarHBondContact O-ND2 3.13Å |
| 109 | K | 98.5 | Very high | 98 | Very high | 124 Ų | 124 | 96.4 Ų | 96.4 | 54% | 0.539 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.8 | -48.2 | 173.2 | -175.2 | -178.4 | 178.7 | -176 | 0 | 111.3 | R105 N106 L111 N112 M113 | R105-K109 WeakPolarHBondContact O-CB 3.32Å; R105-K109 PolarHBondContact O-N 3.4Å; N106-K109 WeakPolarHBondContact O-CB 3.32Å; N106-K109 PolarHBondContact O-N 3.38Å; K109-L111 PolarHBondContact O-N 2.69Å; K109-N112 PolarHBondContact O-N 2.92Å; K109-M113 WeakPolarHBondContact O-CG 3.4Å; K109-M113 PolarHBondContact O-N 3.01Å |
| 110 | L | 97.8 | Very high | 98 | Very high | 125 Ų | 125 | 92.7 Ų | 92.7 | 65% | 0.654 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.8 | -42.2 | 176.2 | -178.2 | 61.7 | 0 | 0 | 0 | 112.1 | N106 R107 N112 M113 G114 | N106-L110 PolarHBondContact O-N 3.15Å; R107-L110 PolarHBondContact O-N 3.37Å; L110-N112 PolarHBondContact O-N 2.96Å; L110-M113 PolarHBondContact O-N 3.08Å; L110-G114 PolarHBondContact O-N 3.34Å |
| 111 | L | 98.4 | Very high | 98.1 | Very high | 79 Ų | 79 | 90.6 Ų | 90.6 | 41% | 0.414 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.8 | -45.4 | 175.1 | 178.1 | 63.1 | 0 | 0 | 0 | 112 | R107 V108 K109 G114 F115 | R107-L111 PolarHBondContact O-N 3.42Å; V108-L111 PolarHBondContact O-N 3.06Å; K109-L111 PolarHBondContact O-N 2.69Å; L111-G114 WeakPolarHBondContact O-CA 3.45Å; L111-G114 PolarHBondContact O-N 3.2Å; L111-G114 VanDerWaalsContact O-N 3.12Å; L111-F115 HydrophobicContact CD1-CD2 4.27Å; L111-F115 HydrophobicContact CD1-CE2 3.98Å; L111-F115 HydrophobicContact CG-CD2 4.25Å; L111-F115 HydrophobicContact CG-CE2 4.15Å; L111-F115 WeakPolarHBondContact O-CD2 3.49Å; L111-F115 PolarHBondContact O-N 3.38Å |
| 112 | N | 98.5 | Very high | 98.1 | Very high | 58 Ų | 58 | 86.6 Ų | 86.6 | 31% | 0.31 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -65.5 | -39.9 | 178.7 | -70.5 | -21 | 0 | 0 | 0 | 111.6 | V108 K109 L110 G114 F115 D116 K132 | V108-N112 VanDerWaalsContact O-CG 3.32Å; V108-N112 PolarHBondContact O-N 2.83Å; V108-N112 PolarHBondContact O-ND2 3.13Å; K109-N112 PolarHBondContact O-N 2.92Å; L110-N112 PolarHBondContact O-N 2.96Å; N112-G114 PolarHBondContact O-N 3.1Å; N112-F115 WeakPolarHBondContact O-CA 3.29Å; N112-F115 WeakPolarHBondContact O-CB 3.43Å; N112-F115 PolarHBondContact O-N 3.24Å; N112-D116 PolarHBondContact O-N 2.9Å; N112-K132 WeakPolarHBondContact OD1-CE 3.4Å; N112-K132 PolarHBondContact OD1-NZ 2.98Å |
| 113 | M | 98.3 | Very high | 98.1 | Very high | 88 Ų | 88 | 84.6 Ų | 84.6 | 43% | 0.433 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -59.3 | -32.9 | 171.3 | -69.2 | 173.4 | 66.9 | 0 | 0 | 112.5 | K109 L110 D116 R117 | K109-M113 WeakPolarHBondContact O-CG 3.4Å; K109-M113 PolarHBondContact O-N 3.01Å; L110-M113 PolarHBondContact O-N 3.08Å; M113-D116 PolarHBondContact O-N 3.03Å; M113-R117 WeakPolarHBondContact O-CG 3.44Å; M113-R117 PolarHBondContact O-N 3.39Å; M113-R117 VanDerWaalsContact O-N 3.09Å |
| 114 | G | 98.5 | Very high | 97.9 | Very high | 39 Ų | 39 | 82 Ų | 82 | 40% | 0.402 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.5 | -45.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | L110 L111 N112 D116 R117 L118 | L110-G114 PolarHBondContact O-N 3.34Å; L111-G114 WeakPolarHBondContact O-CA 3.45Å; L111-G114 PolarHBondContact O-N 3.2Å; L111-G114 VanDerWaalsContact O-N 3.12Å; N112-G114 PolarHBondContact O-N 3.1Å; G114-D116 VanDerWaalsContact C-N 3.34Å; G114-D116 PolarHBondContact O-N 3.43Å; G114-R117 PolarHBondContact O-N 3.25Å; G114-L118 PolarHBondContact O-N 2.88Å |
| 115 | F | 98.7 | Very high | 97.7 | Very high | 28 Ų | 28 | 87.7 Ų | 87.7 | 12% | 0.123 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -61.3 | -39.1 | 173 | -86.8 | -83 | 0 | 0 | 0 | 112.6 | L111 N112 L118 R119 K132 T135 L136 | L111-F115 HydrophobicContact CD1-CD2 4.27Å; L111-F115 HydrophobicContact CD1-CE2 3.98Å; L111-F115 HydrophobicContact CG-CD2 4.25Å; L111-F115 HydrophobicContact CG-CE2 4.15Å; L111-F115 WeakPolarHBondContact O-CD2 3.49Å; L111-F115 PolarHBondContact O-N 3.38Å; N112-F115 WeakPolarHBondContact O-CA 3.29Å; N112-F115 WeakPolarHBondContact O-CB 3.43Å; N112-F115 PolarHBondContact O-N 3.24Å; F115-L118 PolarHBondContact O-N 3.28Å; F115-R119 WeakPolarHBondContact O-CG 3.26Å; F115-R119 PolarHBondContact O-N 3.48Å; F115-K132 HydrophobicContact CD1-CB 4.34Å; F115-K132 HydrophobicContact CD1-CG 4.11Å; F115-K132 HydrophobicContact CD2-CD 4.44Å; F115-K132 HydrophobicContact CE1-CB 3.74Å; F115-K132 HydrophobicContact CE1-CD 4.45Å; F115-K132 HydrophobicContact CE1-CG 3.9Å; F115-K132 HydrophobicContact CE2-CD 4.07Å; F115-K132 HydrophobicContact CE2-CG 4.35Å; F115-K132 HydrophobicContact CG-CG 4.43Å; F115-K132 HydrophobicContact CZ-CB 4Å; F115-K132 HydrophobicContact CZ-CD 4.08Å; F115-K132 HydrophobicContact CZ-CG 4.04Å; F115-T135 HydrophobicContact CD1-CG2 4.44Å; F115-L136 HydrophobicContact CE1-CD1 4.42Å; F115-L136 HydrophobicContact CE1-CD2 4.24Å; F115-L136 HydrophobicContact CE1-CG 4.1Å; F115-L136 HydrophobicContact CZ-CD1 4.45Å |
| 116 | D | 97.8 | Very high | 97.3 | Very high | 85 Ų | 85 | 85.5 Ų | 85.5 | 46% | 0.455 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -67.1 | -40.2 | 178.7 | -63.9 | -31.9 | 0 | 0 | 0 | 112.1 | N112 M113 G114 L118 R119 A120 | N112-D116 PolarHBondContact O-N 2.9Å; M113-D116 PolarHBondContact O-N 3.03Å; G114-D116 VanDerWaalsContact C-N 3.34Å; G114-D116 PolarHBondContact O-N 3.43Å; D116-L118 VanDerWaalsContact C-N 3.32Å; D116-L118 PolarHBondContact O-N 3.49Å; D116-R119 PolarHBondContact O-N 2.91Å; D116-R119 IonicContact OD1-CZ 2.74Å; D116-R119 IonicContact OD1-NH1 3.3Å; D116-R119 PolarHBondContact OD1-NH1 2.87Å; D116-A120 PolarHBondContact O-N 3.05Å; D116-A120 VanDerWaalsContact O-N 3.17Å |
| 117 | R | 98.2 | Very high | 96.9 | Very high | 166 Ų | 166 | 86.9 Ų | 86.9 | 63% | 0.626 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.5 | -39.9 | 171 | -71.7 | 175.9 | -175.5 | -159.8 | 1.8 | 112.2 | M113 G114 A120 | M113-R117 WeakPolarHBondContact O-CG 3.44Å; M113-R117 PolarHBondContact O-N 3.39Å; M113-R117 VanDerWaalsContact O-N 3.09Å; G114-R117 PolarHBondContact O-N 3.25Å; R117-A120 PolarHBondContact O-N 3.12Å |
| 118 | L | 98.5 | Very high | 96.7 | Very high | 54 Ų | 54 | 83.9 Ų | 83.9 | 28% | 0.283 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -66 | -43.4 | 176.6 | -175.5 | 59.6 | 0 | 0 | 0 | 111.5 | G114 F115 D116 A120 V121 V122 T135 L136 A139 | G114-L118 PolarHBondContact O-N 2.88Å; F115-L118 PolarHBondContact O-N 3.28Å; D116-L118 VanDerWaalsContact C-N 3.32Å; D116-L118 PolarHBondContact O-N 3.49Å; L118-A120 PolarHBondContact O-N 3.34Å; L118-V121 HydrophobicContact CD1-CG2 4.27Å; L118-V121 VanDerWaalsContact O-CG2 3.26Å; L118-V121 WeakPolarHBondContact O-CG2 3.44Å; L118-V121 PolarHBondContact O-N 2.99Å; L118-V121 VanDerWaalsContact O-N 3.13Å; L118-V122 HydrophobicContact CD1-CG2 3.88Å; L118-V122 HydrophobicContact CG-CG2 3.95Å; L118-V122 VanDerWaalsContact O-CG2 3.24Å; L118-V122 WeakPolarHBondContact O-CG2 3.39Å; L118-V122 PolarHBondContact O-N 2.91Å; L118-T135 HydrophobicContact CB-CG2 4.27Å; L118-T135 HydrophobicContact CD2-CG2 3.83Å; L118-T135 HydrophobicContact CG-CG2 3.84Å; L118-L136 HydrophobicContact CD2-CD2 4.35Å; L118-A139 HydrophobicContact CD1-CB 3.98Å; L118-A139 HydrophobicContact CD2-CB 4.18Å; L118-A139 HydrophobicContact CG-CB 4.35Å |
| 119 | R | 97.9 | Very high | 96.5 | Very high | 73 Ų | 73 | 90.6 Ų | 90.6 | 28% | 0.275 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.3 | -31.7 | 175.3 | -72.4 | 175.2 | -175.5 | 120.7 | -3.7 | 113.4 | F115 D116 V121 L130 T135 | F115-R119 WeakPolarHBondContact O-CG 3.26Å; F115-R119 PolarHBondContact O-N 3.48Å; D116-R119 PolarHBondContact O-N 2.91Å; D116-R119 IonicContact OD1-CZ 2.74Å; D116-R119 IonicContact OD1-NH1 3.3Å; D116-R119 PolarHBondContact OD1-NH1 2.87Å; R119-V121 PolarHBondContact O-N 3.05Å; R119-L130 HydrophobicContact CG-CB 4.39Å; R119-L130 PolarHBondContact NE-O 3.47Å; R119-L130 PolarHBondContact NH2-O 3.29Å; R119-T135 HydrophobicContact CG-CG2 3.74Å |
| 120 | A | 96.3 | Very high | 96.4 | Very high | 87 Ų | 87 | 85.3 Ų | 85.3 | 72% | 0.719 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -18.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | D116 R117 L118 | D116-A120 PolarHBondContact O-N 3.05Å; D116-A120 VanDerWaalsContact O-N 3.17Å; R117-A120 PolarHBondContact O-N 3.12Å; L118-A120 PolarHBondContact O-N 3.34Å |
| 121 | V | 97.3 | Very high | 96.4 | Very high | 95 Ų | 95 | 82.2 Ų | 82.2 | 58% | 0.576 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.5 | -14.1 | 178.7 | -60.3 | 0 | 0 | 0 | 0 | 113.8 | L118 R119 Y142 | L118-V121 HydrophobicContact CD1-CG2 4.27Å; L118-V121 VanDerWaalsContact O-CG2 3.26Å; L118-V121 WeakPolarHBondContact O-CG2 3.44Å; L118-V121 PolarHBondContact O-N 2.99Å; L118-V121 VanDerWaalsContact O-N 3.13Å; R119-V121 PolarHBondContact O-N 3.05Å; V121-Y142 VanDerWaalsContact O-CE1 3.24Å; V121-Y142 WeakPolarHBondContact O-CE1 3.41Å |
| 122 | V | 97.6 | Very high | 96.4 | Very high | 7 Ų | 7 | 82.8 Ų | 82.8 | 4% | 0.042 | 46% | 0.46 | C | S | . | . | S | Bend | trans | -82.2 | 128.5 | 179.3 | 167 | 0 | 0 | 0 | 0 | 110.6 | L118 C124 L130 K138 A139 | L118-V122 HydrophobicContact CD1-CG2 3.88Å; L118-V122 HydrophobicContact CG-CG2 3.95Å; L118-V122 VanDerWaalsContact O-CG2 3.24Å; L118-V122 WeakPolarHBondContact O-CG2 3.39Å; L118-V122 PolarHBondContact O-N 2.91Å; V122-C124 PolarHBondContact O-N 3.46Å; V122-L130 HydrophobicContact CG1-CD1 3.92Å; V122-K138 HydrophobicContact CG1-CB 3.38Å; V122-K138 HydrophobicContact CG1-CD 4.27Å; V122-K138 HydrophobicContact CG1-CG 4.47Å; V122-A139 HydrophobicContact CG2-CB 3.74Å |
| 123 | P | 97.1 | Very high | 96.4 | Very high | 54 Ų | 54 | 85 Ų | 85 | 35% | 0.351 | 47% | 0.47 | S | S | . | . | | | trans | -56.7 | 122.2 | 176.2 | -26.9 | 34.7 | 0 | 0 | 0 | 112.8 | K138 Y142 | P123-K138 WeakPolarHBondContact O-CD 3.4Å; P123-Y142 VanDerWaalsContact CD-CD1 3.46Å; P123-Y142 VanDerWaalsContact CD-CG 3.41Å; P123-Y142 HydrophobicContact CG-CD1 4.06Å; P123-Y142 HydrophobicContact CG-CD2 3.45Å; P123-Y142 VanDerWaalsContact CG-CD2 3.45Å; P123-Y142 HydrophobicContact CG-CE1 4.19Å; P123-Y142 HydrophobicContact CG-CE2 3.61Å; P123-Y142 HydrophobicContact CG-CG 3.68Å |
| 124 | C | 94.4 | Very high | 96.4 | Very high | 67 Ų | 67 | 82.3 Ų | 82.3 | 45% | 0.453 | 46% | 0.46 | S | S | . | . | | | trans | -140.6 | 154.9 | 175.8 | 56.5 | 0 | 0 | 0 | 0 | 110.7 | V122 E128 L130 | V122-C124 PolarHBondContact O-N 3.46Å; C124-E128 WeakPolarHBondContact CA-OE2 3.23Å; C124-E128 HydrophobicContact CB-CB 4.34Å; C124-E128 WeakPolarHBondContact CB-OE2 3.36Å; C124-L130 HydrophobicContact CB-CD1 4.05Å; C124-L130 HydrophobicContact CB-CD2 4.5Å; C124-L130 HydrophobicContact CB-CG 4.29Å |
| 125 | R | 94.1 | Very high | 96.4 | Very high | 202 Ų | 202 | 80.5 Ų | 80.5 | 76% | 0.762 | 44% | 0.441 | S | S | * | . | | | trans | -72.3 | 150.3 | 174.4 | -57.5 | 176.4 | 70.2 | 121.3 | -1.2 | 109 | G127 E128 | R125-G127 PolarHBondContact O-N 3.22Å; R125-G127 VanDerWaalsContact O-N 3.11Å; R125-E128 HydrophobicContact CB-CB 4.12Å; R125-E128 PolarHBondContact N-OE2 3.07Å; R125-E128 WeakPolarHBondContact O-CB 3.38Å; R125-E128 PolarHBondContact O-N 3.09Å |
| 126 | S | 90.8 | Very high | 96.4 | Very high | 132 Ų | 132 | 82.9 Ų | 82.9 | 92% | 0.923 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 118.7 | 175.1 | 44.5 | 0 | 0 | 0 | 0 | 110.9 | | |
| 127 | G | 90.2 | Very high | 96.4 | Very high | 80 Ų | 80 | 85.7 Ų | 85.7 | 83% | 0.825 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.5 | -1.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 116 | R125 Q129 | R125-G127 PolarHBondContact O-N 3.22Å; R125-G127 VanDerWaalsContact O-N 3.11Å; G127-Q129 PolarHBondContact O-N 3.49Å |
| 128 | E | 93.8 | Very high | 96.4 | Very high | 70 Ų | 70 | 80.4 Ų | 80.4 | 33% | 0.327 | 45% | 0.445 | S | S | . | . | | | trans | -71.8 | 116.9 | 176.9 | -174.1 | -176.3 | -170.8 | 0 | 0 | 111.6 | C124 R125 L130 K138 | C124-E128 WeakPolarHBondContact CA-OE2 3.23Å; C124-E128 HydrophobicContact CB-CB 4.34Å; C124-E128 WeakPolarHBondContact CB-OE2 3.36Å; R125-E128 HydrophobicContact CB-CB 4.12Å; R125-E128 PolarHBondContact N-OE2 3.07Å; R125-E128 WeakPolarHBondContact O-CB 3.38Å; R125-E128 PolarHBondContact O-N 3.09Å; E128-L130 HydrophobicContact CG-CD2 4Å; E128-L130 PolarHBondContact O-N 3.12Å; E128-K138 VanDerWaalsContact OE1-CE 3.31Å; E128-K138 WeakPolarHBondContact OE1-CE 3.42Å; E128-K138 IonicContact OE1-NZ 2.67Å; E128-K138 PolarHBondContact OE1-NZ 2.9Å; E128-K138 IonicContact OE2-NZ 2.75Å; E128-K138 PolarHBondContact OE2-NZ 3.28Å |
| 129 | Q | 94.7 | Very high | 96.4 | Very high | 190 Ų | 190 | 78.4 Ų | 78.4 | 89% | 0.888 | 44% | 0.436 | S | S | * | . | | | trans | -87.5 | 107.9 | 176.6 | -65.2 | -170.6 | 6.5 | 0 | 0 | 111.4 | G127 S131 | G127-Q129 PolarHBondContact O-N 3.49Å; Q129-S131 PolarHBondContact O-N 2.93Å |
| 130 | L | 96.4 | Very high | 96.5 | Very high | 13 Ų | 13 | 79.7 Ų | 79.7 | 7% | 0.068 | 45% | 0.447 | C | S | . | . | | | trans | -81.7 | 114 | -179.9 | -60.1 | -178 | 0 | 0 | 0 | 112.8 | R119 V122 C124 E128 T135 K138 | R119-L130 HydrophobicContact CG-CB 4.39Å; R119-L130 PolarHBondContact NE-O 3.47Å; R119-L130 PolarHBondContact NH2-O 3.29Å; V122-L130 HydrophobicContact CG1-CD1 3.92Å; C124-L130 HydrophobicContact CB-CD1 4.05Å; C124-L130 HydrophobicContact CB-CD2 4.5Å; C124-L130 HydrophobicContact CB-CG 4.29Å; E128-L130 HydrophobicContact CG-CD2 4Å; E128-L130 PolarHBondContact O-N 3.12Å; L130-T135 WeakPolarHBondContact CB-OG1 3.48Å; L130-K138 HydrophobicContact CD1-CD 4.33Å; L130-K138 HydrophobicContact CD2-CD 3.93Å |
| 131 | S | 97.7 | Very high | 96.5 | Very high | 59 Ų | 59 | 82 Ų | 82 | 41% | 0.413 | 44% | 0.438 | S | S | . | . | | | trans | -55.2 | 163.6 | 161.8 | 75.5 | 0 | 0 | 0 | 0 | 112.2 | Q129 I133 S134 T135 | Q129-S131 PolarHBondContact O-N 2.93Å; S131-I133 PolarHBondContact O-N 3.49Å; S131-I133 WeakPolarHBondContact OG-CG2 3.46Å; S131-S134 PolarHBondContact N-OG 3.05Å; S131-S134 PolarHBondContact O-N 3.13Å; S131-S134 PolarHBondContact O-OG 3.35Å; S131-S134 WeakPolarHBondContact OG-CB 3.22Å; S131-S134 PolarHBondContact OG-N 3.29Å; S131-S134 VanDerWaalsContact OG-N 3.08Å; S131-S134 PolarHBondContact OG-OG 3.49Å; S131-T135 WeakPolarHBondContact O-CB 3.46Å; S131-T135 PolarHBondContact O-N 3.15Å; S131-T135 PolarHBondContact O-OG1 2.96Å |
| 132 | K | 98.3 | Very high | 96.6 | Very high | 92 Ų | 92 | 81.1 Ų | 81.1 | 40% | 0.4 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57 | -47.4 | 177.5 | -69.8 | -172.4 | 174.1 | -172.8 | 0 | 111.9 | N112 F115 T135 L136 | N112-K132 WeakPolarHBondContact OD1-CE 3.4Å; N112-K132 PolarHBondContact OD1-NZ 2.98Å; F115-K132 HydrophobicContact CD1-CB 4.34Å; F115-K132 HydrophobicContact CD1-CG 4.11Å; F115-K132 HydrophobicContact CD2-CD 4.44Å; F115-K132 HydrophobicContact CE1-CB 3.74Å; F115-K132 HydrophobicContact CE1-CD 4.45Å; F115-K132 HydrophobicContact CE1-CG 3.9Å; F115-K132 HydrophobicContact CE2-CD 4.07Å; F115-K132 HydrophobicContact CE2-CG 4.35Å; F115-K132 HydrophobicContact CG-CG 4.43Å; F115-K132 HydrophobicContact CZ-CB 4Å; F115-K132 HydrophobicContact CZ-CD 4.08Å; F115-K132 HydrophobicContact CZ-CG 4.04Å; K132-T135 PolarHBondContact O-N 3.38Å; K132-L136 WeakPolarHBondContact O-CG 3.42Å; K132-L136 PolarHBondContact O-N 2.92Å; K132-L136 VanDerWaalsContact O-N 3.15Å |
| 133 | I | 98.4 | Very high | 96.6 | Very high | 104 Ų | 104 | 86.3 Ų | 86.3 | 53% | 0.533 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -68 | -39.4 | -179.5 | -174.3 | 59.1 | 0 | 0 | 0 | 112.9 | S131 L136 K137 | S131-I133 PolarHBondContact O-N 3.49Å; S131-I133 WeakPolarHBondContact OG-CG2 3.46Å; I133-L136 PolarHBondContact O-N 3.36Å; I133-K137 HydrophobicContact CD1-CG 4.46Å; I133-K137 HydrophobicContact CG1-CD 4.48Å; I133-K137 WeakPolarHBondContact O-CG 3.46Å; I133-K137 PolarHBondContact O-N 3.11Å |
| 134 | S | 98.1 | Very high | 96.6 | Very high | 32 Ų | 32 | 88.2 Ų | 88.2 | 22% | 0.224 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -70 | -34.6 | 176.8 | 62.6 | 0 | 0 | 0 | 0 | 112.2 | S131 K137 K138 | S131-S134 PolarHBondContact N-OG 3.05Å; S131-S134 PolarHBondContact O-N 3.13Å; S131-S134 PolarHBondContact O-OG 3.35Å; S131-S134 WeakPolarHBondContact OG-CB 3.22Å; S131-S134 PolarHBondContact OG-N 3.29Å; S131-S134 VanDerWaalsContact OG-N 3.08Å; S131-S134 PolarHBondContact OG-OG 3.49Å; S134-K137 PolarHBondContact O-N 3.34Å; S134-K138 WeakPolarHBondContact O-CB 3.45Å; S134-K138 WeakPolarHBondContact O-CG 3.48Å; S134-K138 PolarHBondContact O-N 2.89Å |
| 135 | T | 98.4 | Very high | 96.7 | Very high | 0 Ų | 0 | 88.8 Ų | 88.8 | 0% | 0 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -58.9 | -47.2 | 172.2 | -50.2 | 0 | 0 | 0 | 0 | 110.7 | F115 L118 R119 L130 S131 K132 A139 | F115-T135 HydrophobicContact CD1-CG2 4.44Å; L118-T135 HydrophobicContact CB-CG2 4.27Å; L118-T135 HydrophobicContact CD2-CG2 3.83Å; L118-T135 HydrophobicContact CG-CG2 3.84Å; R119-T135 HydrophobicContact CG-CG2 3.74Å; L130-T135 WeakPolarHBondContact CB-OG1 3.48Å; S131-T135 WeakPolarHBondContact O-CB 3.46Å; S131-T135 PolarHBondContact O-N 3.15Å; S131-T135 PolarHBondContact O-OG1 2.96Å; K132-T135 PolarHBondContact O-N 3.38Å; T135-A139 WeakPolarHBondContact O-CB 3.37Å; T135-A139 PolarHBondContact O-N 3.05Å |
| 136 | L | 98.7 | Very high | 96.9 | Very high | 79 Ų | 79 | 82.4 Ų | 82.4 | 41% | 0.414 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 178.3 | -65.8 | 171.8 | 0 | 0 | 0 | 112.3 | F115 L118 K132 I133 K138 A139 I140 | F115-L136 HydrophobicContact CE1-CD1 4.42Å; F115-L136 HydrophobicContact CE1-CD2 4.24Å; F115-L136 HydrophobicContact CE1-CG 4.1Å; F115-L136 HydrophobicContact CZ-CD1 4.45Å; L118-L136 HydrophobicContact CD2-CD2 4.35Å; K132-L136 WeakPolarHBondContact O-CG 3.42Å; K132-L136 PolarHBondContact O-N 2.92Å; K132-L136 VanDerWaalsContact O-N 3.15Å; I133-L136 PolarHBondContact O-N 3.36Å; L136-K138 PolarHBondContact O-N 2.77Å; L136-A139 PolarHBondContact O-N 3.29Å; L136-I140 WeakPolarHBondContact O-CG1 3.39Å; L136-I140 PolarHBondContact O-N 3.41Å |
| 137 | K | 98.3 | Very high | 97.1 | Very high | 143 Ų | 143 | 80.1 Ų | 80.1 | 62% | 0.622 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -58.8 | -45 | 178.2 | -74.6 | -175.5 | 174.3 | -169.4 | 0 | 112.3 | I133 S134 W141 | I133-K137 HydrophobicContact CD1-CG 4.46Å; I133-K137 HydrophobicContact CG1-CD 4.48Å; I133-K137 WeakPolarHBondContact O-CG 3.46Å; I133-K137 PolarHBondContact O-N 3.11Å; S134-K137 PolarHBondContact O-N 3.34Å; K137-W141 PolarHBondContact O-N 3.38Å; K137-W141 VanDerWaalsContact O-N 3.13Å |
| 138 | K | 98.1 | Very high | 97.4 | Very high | 56 Ų | 56 | 81.9 Ų | 81.9 | 24% | 0.243 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -70.4 | -32.4 | 178 | -69.1 | -164.4 | -175.9 | -154.3 | 0 | 112.9 | V122 P123 E128 L130 S134 L136 Y142 | V122-K138 HydrophobicContact CG1-CB 3.38Å; V122-K138 HydrophobicContact CG1-CD 4.27Å; V122-K138 HydrophobicContact CG1-CG 4.47Å; P123-K138 WeakPolarHBondContact O-CD 3.4Å; E128-K138 VanDerWaalsContact OE1-CE 3.31Å; E128-K138 WeakPolarHBondContact OE1-CE 3.42Å; E128-K138 IonicContact OE1-NZ 2.67Å; E128-K138 PolarHBondContact OE1-NZ 2.9Å; E128-K138 IonicContact OE2-NZ 2.75Å; E128-K138 PolarHBondContact OE2-NZ 3.28Å; L130-K138 HydrophobicContact CD1-CD 4.33Å; L130-K138 HydrophobicContact CD2-CD 3.93Å; S134-K138 WeakPolarHBondContact O-CB 3.45Å; S134-K138 WeakPolarHBondContact O-CG 3.48Å; S134-K138 PolarHBondContact O-N 2.89Å; L136-K138 PolarHBondContact O-N 2.77Å; K138-Y142 VanDerWaalsContact O-CB 3.24Å; K138-Y142 WeakPolarHBondContact O-CB 3.34Å; K138-Y142 PolarHBondContact O-N 2.83Å |
| 139 | A | 98.7 | Very high | 97.4 | Very high | 12 Ų | 12 | 83 Ų | 83 | 10% | 0.099 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112 | L118 V122 T135 L136 Y142 I143 | L118-A139 HydrophobicContact CD1-CB 3.98Å; L118-A139 HydrophobicContact CD2-CB 4.18Å; L118-A139 HydrophobicContact CG-CB 4.35Å; V122-A139 HydrophobicContact CG2-CB 3.74Å; T135-A139 WeakPolarHBondContact O-CB 3.37Å; T135-A139 PolarHBondContact O-N 3.05Å; L136-A139 PolarHBondContact O-N 3.29Å; A139-Y142 PolarHBondContact O-N 2.91Å; A139-I143 WeakPolarHBondContact O-CG1 3.42Å; A139-I143 PolarHBondContact O-N 2.68Å |
| 140 | I | 98.4 | Very high | 97.5 | Very high | 99 Ų | 99 | 80.5 Ų | 80.5 | 51% | 0.508 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -59.1 | -53.7 | 175.9 | -65.6 | 163.4 | 0 | 0 | 0 | 110.1 | L136 Y142 I143 E144 | L136-I140 WeakPolarHBondContact O-CG1 3.39Å; L136-I140 PolarHBondContact O-N 3.41Å; I140-Y142 VanDerWaalsContact C-N 3.26Å; I140-Y142 PolarHBondContact O-N 2.74Å; I140-I143 PolarHBondContact O-N 3.46Å; I140-I143 VanDerWaalsContact O-N 3.16Å; I140-E144 WeakPolarHBondContact CG2-OE1 3.38Å; I140-E144 WeakPolarHBondContact O-CG 3.46Å; I140-E144 PolarHBondContact O-N 3.05Å |
| 141 | W | 97.9 | Very high | 97.2 | Very high | 137 Ų | 137 | 85.5 Ų | 85.5 | 52% | 0.519 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.1 | -38.9 | 177.4 | 176.4 | 86.3 | 0 | 0 | 0 | 112.9 | K137 E144 H145 | K137-W141 PolarHBondContact O-N 3.38Å; K137-W141 VanDerWaalsContact O-N 3.13Å; W141-E144 PolarHBondContact O-N 3.41Å; W141-H145 HydrophobicContact CH2-CB 4.27Å; W141-H145 HydrophobicContact CZ2-CB 4.32Å; W141-H145 HydrophobicContact CZ3-CB 4.39Å; W141-H145 VanDerWaalsContact O-CB 3.28Å; W141-H145 WeakPolarHBondContact O-CB 3.47Å; W141-H145 PolarHBondContact O-N 2.93Å |
| 142 | Y | 98.5 | Very high | 96 | Very high | 75 Ų | 75 | 85.7 Ų | 85.7 | 29% | 0.294 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -70.8 | -38 | -179.6 | -175.8 | -136.4 | 0 | 0 | 0 | 112.4 | V121 P123 K138 A139 I140 H145 L146 | V121-Y142 VanDerWaalsContact O-CE1 3.24Å; V121-Y142 WeakPolarHBondContact O-CE1 3.41Å; P123-Y142 VanDerWaalsContact CD-CD1 3.46Å; P123-Y142 VanDerWaalsContact CD-CG 3.41Å; P123-Y142 HydrophobicContact CG-CD1 4.06Å; P123-Y142 HydrophobicContact CG-CD2 3.45Å; P123-Y142 VanDerWaalsContact CG-CD2 3.45Å; P123-Y142 HydrophobicContact CG-CE1 4.19Å; P123-Y142 HydrophobicContact CG-CE2 3.61Å; P123-Y142 HydrophobicContact CG-CG 3.68Å; K138-Y142 VanDerWaalsContact O-CB 3.24Å; K138-Y142 WeakPolarHBondContact O-CB 3.34Å; K138-Y142 PolarHBondContact O-N 2.83Å; A139-Y142 PolarHBondContact O-N 2.91Å; I140-Y142 VanDerWaalsContact C-N 3.26Å; I140-Y142 PolarHBondContact O-N 2.74Å; Y142-H145 PolarHBondContact O-N 3.3Å; Y142-L146 HydrophobicContact CD1-CD1 4.23Å; Y142-L146 HydrophobicContact CD2-CD1 4.26Å; Y142-L146 HydrophobicContact CD2-CG 4.02Å; Y142-L146 HydrophobicContact CE1-CD1 3.86Å; Y142-L146 HydrophobicContact CE2-CD1 3.88Å; Y142-L146 HydrophobicContact CE2-CD2 3.85Å; Y142-L146 HydrophobicContact CE2-CG 3.73Å; Y142-L146 HydrophobicContact CG-CD1 4.43Å; Y142-L146 WeakPolarHBondContact O-CB 3.49Å; Y142-L146 WeakPolarHBondContact O-CG 3.45Å; Y142-L146 PolarHBondContact O-N 3.2Å |
| 143 | I | 98.1 | Very high | 94.3 | Very high | 116 Ų | 116 | 87.8 Ų | 87.8 | 60% | 0.595 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61.6 | -49.6 | 172.5 | -67 | 163.4 | 0 | 0 | 0 | 109.8 | A139 I140 H145 L146 D147 | A139-I143 WeakPolarHBondContact O-CG1 3.42Å; A139-I143 PolarHBondContact O-N 2.68Å; I140-I143 PolarHBondContact O-N 3.46Å; I140-I143 VanDerWaalsContact O-N 3.16Å; I143-H145 VanDerWaalsContact C-N 3.29Å; I143-H145 PolarHBondContact O-N 2.84Å; I143-L146 PolarHBondContact O-N 3.48Å; I143-D147 VanDerWaalsContact O-CB 3.29Å; I143-D147 WeakPolarHBondContact O-CB 3.4Å; I143-D147 PolarHBondContact O-N 3.17Å |
| 144 | E | 97.2 | Very high | 92.4 | Very high | 94 Ų | 94 | 91 Ų | 91 | 44% | 0.439 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.8 | -35 | 176.6 | -68 | 173.8 | -170.8 | 0 | 0 | 113.3 | I140 W141 K148 | I140-E144 WeakPolarHBondContact CG2-OE1 3.38Å; I140-E144 WeakPolarHBondContact O-CG 3.46Å; I140-E144 PolarHBondContact O-N 3.05Å; W141-E144 PolarHBondContact O-N 3.41Å; E144-K148 WeakPolarHBondContact O-CD 3.5Å; E144-K148 VanDerWaalsContact O-CG 3.27Å; E144-K148 WeakPolarHBondContact O-CG 3.34Å; E144-K148 PolarHBondContact O-N 3.43Å |
| 145 | H | 96.5 | Very high | 90.4 | Very high | 80 Ų | 80 | 96.4 Ų | 96.4 | 37% | 0.37 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.2 | -47.3 | 177.3 | 174.7 | 58.7 | 0 | 0 | 0 | 111.4 | W141 Y142 I143 D147 K148 V149 | W141-H145 HydrophobicContact CH2-CB 4.27Å; W141-H145 HydrophobicContact CZ2-CB 4.32Å; W141-H145 HydrophobicContact CZ3-CB 4.39Å; W141-H145 VanDerWaalsContact O-CB 3.28Å; W141-H145 WeakPolarHBondContact O-CB 3.47Å; W141-H145 PolarHBondContact O-N 2.93Å; Y142-H145 PolarHBondContact O-N 3.3Å; I143-H145 VanDerWaalsContact C-N 3.29Å; I143-H145 PolarHBondContact O-N 2.84Å; H145-D147 VanDerWaalsContact C-N 3.31Å; H145-D147 PolarHBondContact O-N 3.28Å; H145-K148 PolarHBondContact O-N 3.49Å; H145-V149 VanDerWaalsContact O-CG2 3.32Å; H145-V149 WeakPolarHBondContact O-CG2 3.46Å; H145-V149 PolarHBondContact O-N 2.86Å |
| 146 | L | 97.4 | Very high | 88.1 | Confident | 68 Ų | 68 | 99.6 Ų | 99.6 | 36% | 0.356 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.9 | -40.8 | 175.6 | -70.5 | 177.1 | 0 | 0 | 0 | 111.3 | Y142 I143 K148 V149 L150 | Y142-L146 HydrophobicContact CD1-CD1 4.23Å; Y142-L146 HydrophobicContact CD2-CD1 4.26Å; Y142-L146 HydrophobicContact CD2-CG 4.02Å; Y142-L146 HydrophobicContact CE1-CD1 3.86Å; Y142-L146 HydrophobicContact CE2-CD1 3.88Å; Y142-L146 HydrophobicContact CE2-CD2 3.85Å; Y142-L146 HydrophobicContact CE2-CG 3.73Å; Y142-L146 HydrophobicContact CG-CD1 4.43Å; Y142-L146 WeakPolarHBondContact O-CB 3.49Å; Y142-L146 WeakPolarHBondContact O-CG 3.45Å; Y142-L146 PolarHBondContact O-N 3.2Å; I143-L146 PolarHBondContact O-N 3.48Å; L146-K148 PolarHBondContact O-N 2.95Å; L146-V149 PolarHBondContact O-N 3.05Å; L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 VanDerWaalsContact O-CG 3.23Å; L146-L150 WeakPolarHBondContact O-CG 3.37Å; L146-L150 PolarHBondContact O-N 3.33Å |
| 147 | D | 96.1 | Very high | 85.5 | Confident | 83 Ų | 83 | 100.3 Ų | 100.3 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -57.4 | -47.2 | 176.2 | -172.9 | 54.6 | 0 | 0 | 0 | 111.9 | I143 H145 V149 L150 H151 | I143-D147 VanDerWaalsContact O-CB 3.29Å; I143-D147 WeakPolarHBondContact O-CB 3.4Å; I143-D147 PolarHBondContact O-N 3.17Å; H145-D147 VanDerWaalsContact C-N 3.31Å; H145-D147 PolarHBondContact O-N 3.28Å; D147-V149 VanDerWaalsContact C-N 3.35Å; D147-V149 PolarHBondContact O-N 3.46Å; D147-L150 PolarHBondContact O-N 3.33Å; D147-H151 WeakPolarHBondContact O-CB 3.3Å; D147-H151 PolarHBondContact O-N 3.18Å; D147-H151 PolarHBondContact O-ND1 3.35Å; D147-H151 IonicContact OD1-CE1 3.9Å; D147-H151 PolarHBondContact OD1-CE1 2.96Å; D147-H151 IonicContact OD1-ND1 2.69Å; D147-H151 PolarHBondContact OD1-ND1 3.17Å |
| 148 | K | 94.9 | Very high | 83.1 | Confident | 118 Ų | 118 | 99 Ų | 99 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.8 | -35.2 | 175.3 | -71.2 | 164.5 | -172.8 | 167.4 | 0 | 113.7 | E144 H145 L146 G152 Q153 | E144-K148 WeakPolarHBondContact O-CD 3.5Å; E144-K148 VanDerWaalsContact O-CG 3.27Å; E144-K148 WeakPolarHBondContact O-CG 3.34Å; E144-K148 PolarHBondContact O-N 3.43Å; H145-K148 PolarHBondContact O-N 3.49Å; L146-K148 PolarHBondContact O-N 2.95Å; K148-G152 PolarHBondContact O-N 3.43Å; K148-Q153 PolarHBondContact O-N 3.32Å |
| 149 | V | 95.6 | Very high | 80.7 | Confident | 92 Ų | 92 | 101.9 Ų | 101.9 | 56% | 0.558 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -73.9 | -38.8 | 178.3 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | H145 L146 D147 | H145-V149 VanDerWaalsContact O-CG2 3.32Å; H145-V149 WeakPolarHBondContact O-CG2 3.46Å; H145-V149 PolarHBondContact O-N 2.86Å; L146-V149 PolarHBondContact O-N 3.05Å; D147-V149 VanDerWaalsContact C-N 3.35Å; D147-V149 PolarHBondContact O-N 3.46Å |
| 150 | L | 95.4 | Very high | 78.3 | Confident | 138 Ų | 138 | 106 Ų | 106 | 72% | 0.723 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -74.9 | -36.8 | 179.5 | -69.1 | 171.2 | 0 | 0 | 0 | 112.4 | L146 D147 G152 | L146-L150 WeakPolarHBondContact O-CB 3.48Å; L146-L150 VanDerWaalsContact O-CG 3.23Å; L146-L150 WeakPolarHBondContact O-CG 3.37Å; L146-L150 PolarHBondContact O-N 3.33Å; D147-L150 PolarHBondContact O-N 3.33Å; L150-G152 VanDerWaalsContact C-N 3.34Å; L150-G152 PolarHBondContact O-N 3.29Å |
| 151 | H | 91.5 | Very high | 75.9 | Confident | 118 Ų | 118 | 105.3 Ų | 105.3 | 55% | 0.546 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.5 | 25.1 | 178.5 | -59.9 | 128.3 | 0 | 0 | 0 | 114 | D147 Q153 | D147-H151 WeakPolarHBondContact O-CB 3.3Å; D147-H151 PolarHBondContact O-N 3.18Å; D147-H151 PolarHBondContact O-ND1 3.35Å; D147-H151 IonicContact OD1-CE1 3.9Å; D147-H151 PolarHBondContact OD1-CE1 2.96Å; D147-H151 IonicContact OD1-ND1 2.69Å; D147-H151 PolarHBondContact OD1-ND1 3.17Å; H151-Q153 VanDerWaalsContact C-N 3.32Å; H151-Q153 PolarHBondContact O-N 3.02Å |
| 152 | G | 72.6 | Confident | 73.3 | Confident | 63 Ų | 63 | 104.4 Ų | 104.4 | 65% | 0.649 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 59.8 | 27.8 | 158.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | K148 L150 E154 | K148-G152 PolarHBondContact O-N 3.43Å; L150-G152 VanDerWaalsContact C-N 3.34Å; L150-G152 PolarHBondContact O-N 3.29Å; G152-E154 PolarHBondContact O-N 3.4Å |
| 153 | Q | 61.7 | Low | 70.8 | Confident | 136 Ų | 136 | 106.2 Ų | 106.2 | 64% | 0.636 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 49.2 | 44.4 | 171.7 | -165.6 | 161 | -26.8 | 0 | 0 | 116.5 | K148 H151 N155 S156 | K148-Q153 PolarHBondContact O-N 3.32Å; H151-Q153 VanDerWaalsContact C-N 3.32Å; H151-Q153 PolarHBondContact O-N 3.02Å; Q153-N155 PolarHBondContact O-N 2.91Å; Q153-S156 PolarHBondContact O-N 2.9Å; Q153-S156 PolarHBondContact O-OG 3.38Å |
| 154 | E | 58.2 | Low | 68.6 | Low | 173 Ų | 173 | 109.5 Ų | 109.5 | 81% | 0.808 | 63% | 0.633 | S | S | * | * | | | trans | -78.2 | 11.8 | 163.7 | 51.2 | -155.9 | 150.6 | 0 | 0 | 114.1 | G152 | G152-E154 PolarHBondContact O-N 3.4Š|
| 155 | N | 56 | Low | 66 | Low | 145 Ų | 145 | 113.4 Ų | 113.4 | 78% | 0.775 | 65% | 0.654 | S | S | * | * | S | Bend | trans | -98.4 | 56.8 | 153.4 | -75.9 | -47.2 | 0 | 0 | 0 | 110.8 | Q153 C157 | Q153-N155 PolarHBondContact O-N 2.91Å; N155-C157 PolarHBondContact O-N 3.47Å |
| 156 | S | 50.4 | Low | 63.6 | Low | 67 Ų | 67 | 117.6 Ų | 117.6 | 47% | 0.469 | 68% | 0.679 | S | S | . | * | | | trans | -61.3 | 116.6 | 169.7 | -72.4 | 0 | 0 | 0 | 0 | 110.5 | Q153 S158 | Q153-S156 PolarHBondContact O-N 2.9Å; Q153-S156 PolarHBondContact O-OG 3.38Å; S156-S158 VanDerWaalsContact C-N 3.31Å; S156-S158 PolarHBondContact O-N 3.4Å; S156-S158 PolarHBondContact O-OG 2.93Å; S156-S158 VanDerWaalsContact O-OG 3.1Å |
| 157 | C | 43.5 | Very low | 61.1 | Low | 94 Ų | 94 | 123.6 Ų | 123.6 | 64% | 0.635 | 71% | 0.705 | S | S | * | * | | | trans | 25.1 | 47.8 | 148.9 | 59.6 | 0 | 0 | 0 | 0 | 119.8 | N155 S159 S160 | N155-C157 PolarHBondContact O-N 3.47Å; C157-S159 PolarHBondContact O-N 3.46Å; C157-S160 PolarHBondContact O-OG 2.9Å; C157-S160 VanDerWaalsContact O-OG 3.05Å |
| 158 | S | 48 | Very low | 58.8 | Low | 114 Ų | 114 | 125.2 Ų | 125.2 | 80% | 0.797 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.1 | 32.1 | 177 | -65.8 | 0 | 0 | 0 | 0 | 113.9 | S156 | S156-S158 VanDerWaalsContact C-N 3.31Å; S156-S158 PolarHBondContact O-N 3.4Å; S156-S158 PolarHBondContact O-OG 2.93Å; S156-S158 VanDerWaalsContact O-OG 3.1Å |
| 159 | S | 48.2 | Very low | 56.4 | Low | 117 Ų | 117 | 125.5 Ų | 125.5 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -148.1 | 20.2 | 167.1 | -62.2 | 0 | 0 | 0 | 0 | 112.5 | C157 S161 | C157-S159 PolarHBondContact O-N 3.46Å; S159-S161 PolarHBondContact O-N 2.78Å |
| 160 | S | 47.9 | Very low | 53.9 | Low | 98 Ų | 98 | 128.3 Ų | 128.3 | 69% | 0.685 | 75% | 0.746 | S | S | * | * | | | trans | -76.9 | 53.5 | 156.3 | 51.3 | 0 | 0 | 0 | 0 | 110.1 | C157 | C157-S160 PolarHBondContact O-OG 2.9Å; C157-S160 VanDerWaalsContact O-OG 3.05Å |
| 161 | S | 48.3 | Very low | 51.5 | Low | 85 Ų | 85 | 131 Ų | 131 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | | | trans | -108.2 | 81 | 176.6 | -60.1 | 0 | 0 | 0 | 0 | 108.8 | S159 S163 | S159-S161 PolarHBondContact O-N 2.78Å; S161-S163 PolarHBondContact O-N 3.47Å |
| 162 | S | 43.3 | Very low | 49.4 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | 30.4 | 79.1 | 143.9 | 59.8 | 0 | 0 | 0 | 0 | 117.3 | | |
| 163 | S | 47.2 | Very low | 47.8 | Very low | 113 Ų | 113 | 135.9 Ų | 135.9 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | | | trans | -131.1 | 82.2 | 165.2 | -73.2 | 0 | 0 | 0 | 0 | 110.3 | S161 | S161-S163 PolarHBondContact O-N 3.47Š|
| 164 | Q | 50.4 | Low | 46.9 | Very low | 185 Ų | 185 | 137.1 Ų | 137.1 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | | | trans | 41.2 | 110.4 | 148.3 | -67.8 | 169.8 | -27.6 | 0 | 0 | 119 | | |
| 165 | M | 42.9 | Very low | 45.9 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | | | | 15.1 | 112.2 | 129.8 | -61.2 | 172.9 | 69.1 | 0 | 0 | 116.8 | | |
| 166 | N | 46.6 | Very low | 45.6 | Very low | 167 Ų | 167 | 132.8 Ų | 132.8 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | | | | -157.2 | 110.8 | 125.9 | -93.9 | -35.2 | 0 | 0 | 0 | 109.7 | | |
| 167 | Q | 45 | Very low | 45.1 | Very low | 195 Ų | 195 | 135.4 Ų | 135.4 | 91% | 0.911 | 79% | 0.787 | S | S | * | * | | | trans | -83.2 | 113.2 | 168.2 | -64.9 | 175.9 | 38 | 0 | 0 | 107.9 | | |
| 168 | S | 46.6 | Very low | 45 | Very low | 117 Ų | 117 | 136.8 Ų | 136.8 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -140.6 | 99 | 156.7 | -72.8 | 0 | 0 | 0 | 0 | 107.8 | | |
| 169 | T | 46.3 | Very low | 45.1 | Very low | 123 Ų | 123 | 138.3 Ų | 138.3 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | | | trans | -71.2 | 124.7 | 169.3 | 47.2 | 0 | 0 | 0 | 0 | 109.3 | | |
| 170 | D | 41.9 | Very low | 44.9 | Very low | 151 Ų | 151 | 139.7 Ų | 139.7 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | | | trans | -143.1 | 110.4 | 152.7 | -103.9 | -39.2 | 0 | 0 | 0 | 110.6 | | |
| 171 | F | 44.7 | Very low | 45.1 | Very low | 196 Ų | 196 | 142.4 Ų | 142.4 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -95.1 | 99.9 | 167.3 | -82 | -91.6 | 0 | 0 | 0 | 108.1 | | |
| 172 | T | 47.5 | Very low | 44.9 | Very low | 120 Ų | 120 | 148.4 Ų | 148.4 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | | | trans | -125.7 | 115.1 | 161.1 | 46.8 | 0 | 0 | 0 | 0 | 110.2 | E174 | T172-E174 PolarHBondContact O-N 3.13Š|
| 173 | N | 40.3 | Very low | 45.4 | Very low | 162 Ų | 162 | 149.9 Ų | 149.9 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | | | trans | -77.7 | 113.1 | 167.4 | -58.4 | -62.7 | 0 | 0 | 0 | 107.3 | | |
| 174 | E | 42 | Very low | 45.4 | Very low | 163 Ų | 163 | 153.9 Ų | 153.9 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | | | trans | -132.3 | 116.6 | 167.2 | -130 | -174.8 | -148.5 | 0 | 0 | 112.6 | T172 T176 | T172-E174 PolarHBondContact O-N 3.13Å; E174-T176 WeakPolarHBondContact CG-OG1 3.27Å; E174-T176 PolarHBondContact O-N 3.47Å; E174-T176 PolarHBondContact OE2-OG1 2.99Å |
| 175 | S | 37.7 | Very low | 45.3 | Very low | 126 Ų | 126 | 153.9 Ų | 153.9 | 88% | 0.881 | 82% | 0.815 | S | S | * | * | | | trans | -84.9 | 81.1 | 170.1 | -64.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 176 | T | 49.6 | Very low | 45 | Very low | 100 Ų | 100 | 151.4 Ų | 151.4 | 61% | 0.613 | 81% | 0.81 | S | S | * | * | | | trans | -107.3 | 104.8 | -174.2 | -56.4 | 0 | 0 | 0 | 0 | 112 | E174 C178 | E174-T176 WeakPolarHBondContact CG-OG1 3.27Å; E174-T176 PolarHBondContact O-N 3.47Å; E174-T176 PolarHBondContact OE2-OG1 2.99Å; T176-C178 PolarHBondContact O-N 2.81Å |
| 177 | T | 39.8 | Very low | 45 | Very low | 122 Ų | 122 | 150.9 Ų | 150.9 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | | | trans | -49.7 | 121.9 | 173.3 | -30.9 | 0 | 0 | 0 | 0 | 112 | I179 | T177-I179 PolarHBondContact O-N 2.97Å; T177-I179 VanDerWaalsContact O-N 3.17Å |
| 178 | C | 40.1 | Very low | 44.8 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 83% | 0.831 | 79% | 0.793 | S | S | * | * | | | trans | -78.2 | 101 | 175.2 | 42 | 0 | 0 | 0 | 0 | 111.7 | T176 | T176-C178 PolarHBondContact O-N 2.81Š|
| 179 | I | 50 | Low | 44.6 | Very low | 147 Ų | 147 | 149.9 Ų | 149.9 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | trans | -86 | 126 | 168.3 | -63.9 | 176.7 | 0 | 0 | 0 | 108.8 | T177 | T177-I179 PolarHBondContact O-N 2.97Å; T177-I179 VanDerWaalsContact O-N 3.17Å |
| 180 | N | 45 | Very low | 44.3 | Very low | 146 Ų | 146 | 151.4 Ų | 151.4 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | | | trans | -67.2 | 136.7 | 178.1 | -59.4 | -59.6 | 0 | 0 | 0 | 111.6 | | |
| 181 | N | 52.4 | Low | 44.1 | Very low | 155 Ų | 155 | 149.1 Ų | 149.1 | 83% | 0.829 | 79% | 0.794 | S | S | * | * | | | trans | -143.8 | 123.6 | 156.3 | -95.5 | -40.3 | 0 | 0 | 0 | 112 | | |
| 182 | K | 44.2 | Very low | 43.7 | Very low | 211 Ų | 211 | 144.8 Ų | 144.8 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | | | trans | -71.5 | 126 | 172.1 | -78.2 | 172.2 | 171.5 | 170.4 | 0 | 109.6 | | |
| 183 | I | 52.3 | Low | 43.6 | Very low | 149 Ų | 149 | 144.4 Ų | 144.4 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | | | trans | -129.5 | 123.7 | 152.5 | -62.8 | -176.2 | 0 | 0 | 0 | 108.7 | | |
| 184 | K | 48.4 | Very low | 43.7 | Very low | 198 Ų | 198 | 144.7 Ų | 144.7 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | | | trans | -79.4 | 133.1 | 168.6 | -62 | 173.4 | 177.6 | 179.3 | 0 | 108.1 | | |
| 185 | Q | 47.7 | Very low | 43.7 | Very low | 185 Ų | 185 | 143 Ų | 143 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | | | trans | -155.1 | 133 | 147.4 | -117.2 | 160.9 | 88.3 | 0 | 0 | 110.4 | | |
| 186 | T | 37.8 | Very low | 43.8 | Very low | 123 Ų | 123 | 146.4 Ų | 146.4 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | | | trans | -79.6 | 144.8 | 174.9 | 47.4 | 0 | 0 | 0 | 0 | 109.7 | | |
| 187 | N | 46.5 | Very low | 43.5 | Very low | 156 Ų | 156 | 147.7 Ų | 147.7 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | | | | -169.4 | 145.9 | 122.9 | -90 | -17.4 | 0 | 0 | 0 | 111 | | |
| 188 | S | 40.1 | Very low | 43.7 | Very low | 87 Ų | 87 | 146.9 Ų | 146.9 | 61% | 0.608 | 81% | 0.812 | S | S | * | * | | | trans | -61.6 | 147.6 | 173.8 | 49.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 189 | F | 41.3 | Very low | 43.5 | Very low | 205 Ų | 205 | 143.9 Ų | 143.9 | 90% | 0.899 | 80% | 0.802 | S | S | * | * | | | | -161.9 | 159.2 | 114.9 | -92.7 | -62.3 | 0 | 0 | 0 | 110.9 | | |
| 190 | I | 40.1 | Very low | 43.1 | Very low | 154 Ų | 154 | 145.1 Ų | 145.1 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -98.4 | 138.7 | -162.7 | -65.1 | 158.8 | 0 | 0 | 0 | 110.4 | | |
| 191 | S | 39 | Very low | 43.3 | Very low | 104 Ų | 104 | 146.9 Ų | 146.9 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | | | | 176.4 | 116.6 | 128.6 | -79.1 | 0 | 0 | 0 | 0 | 114.5 | | |
| 192 | S | 36.1 | Very low | 42.7 | Very low | 104 Ų | 104 | 148.7 Ų | 148.7 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | | | trans | 22.4 | 109.5 | 143 | 57.9 | 0 | 0 | 0 | 0 | 120.9 | | |
| 193 | S | 44.2 | Very low | 43 | Very low | 113 Ų | 113 | 145.8 Ų | 145.8 | 79% | 0.79 | 81% | 0.806 | S | S | * | * | | | | 169.7 | 134.7 | 105 | 48.6 | 0 | 0 | 0 | 0 | 113.6 | | |
| 194 | L | 42.8 | Very low | 42.6 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | | | trans | 16.3 | 112 | 165.3 | -83.6 | 60.1 | 0 | 0 | 0 | 120.3 | | |
| 195 | P | 42 | Very low | 43 | Very low | 128 Ų | 128 | 145.6 Ų | 145.6 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | | | trans | -86.9 | 128.5 | 152.7 | 32.7 | -28.2 | 0 | 0 | 0 | 111.7 | | |
| 196 | K | 39.9 | Very low | 42.9 | Very low | 197 Ų | 197 | 143.5 Ų | 143.5 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | | | trans | -72.9 | 162.1 | 164.9 | -89.5 | 168.8 | 171.6 | 166.5 | 0 | 110.9 | | |
| 197 | S | 44.1 | Very low | 43.2 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | | | trans | 71.9 | 113.5 | 172.3 | 71.9 | 0 | 0 | 0 | 0 | 116.7 | | |
| 198 | A | 43.7 | Very low | 43 | Very low | 106 Ų | 106 | 142.8 Ų | 142.8 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | | | trans | -94.8 | 146.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 199 | G | 34.8 | Very low | 43.3 | Very low | 59 Ų | 59 | 150.4 Ų | 150.4 | 61% | 0.608 | 81% | 0.808 | S | S | * | * | | | trans | 84.2 | 57.3 | 149.6 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 200 | L | 43.3 | Very low | 43.4 | Very low | 174 Ų | 174 | 145.2 Ų | 145.2 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | | | trans | -129 | 93.4 | 157 | -128.2 | 156.8 | 0 | 0 | 0 | 109.2 | E202 | L200-E202 PolarHBondContact O-N 3.32Š|
| 201 | F | 48.2 | Very low | 43.4 | Very low | 183 Ų | 183 | 147.8 Ų | 147.8 | 80% | 0.803 | 81% | 0.806 | S | S | * | * | | | trans | -70.7 | 119 | -175.1 | -55 | -88 | 0 | 0 | 0 | 110.6 | I203 | F201-I203 PolarHBondContact O-N 3.09Å; F201-I203 VanDerWaalsContact O-N 3.11Å |
| 202 | E | 41.1 | Very low | 43.7 | Very low | 193 Ų | 193 | 147 Ų | 147 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | | | trans | -68 | 105.1 | 168.2 | -77.2 | -173.2 | 125.6 | 0 | 0 | 110.1 | L200 N204 | L200-E202 PolarHBondContact O-N 3.32Å; E202-N204 PolarHBondContact O-N 3.35Å; E202-N204 VanDerWaalsContact O-N 3.12Å |
| 203 | I | 50.2 | Low | 44.2 | Very low | 149 Ų | 149 | 145.7 Ų | 145.7 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | | | trans | -77.9 | 98.4 | 170.5 | -58.9 | 175.2 | 0 | 0 | 0 | 108.2 | F201 R205 | F201-I203 PolarHBondContact O-N 3.09Å; F201-I203 VanDerWaalsContact O-N 3.11Å; I203-R205 PolarHBondContact O-N 3.25Å |
| 204 | N | 43.9 | Very low | 44.2 | Very low | 119 Ų | 119 | 151 Ų | 151 | 64% | 0.636 | 80% | 0.8 | S | S | * | * | | | trans | -58.7 | 116.1 | 168.1 | -175.6 | -11.1 | 0 | 0 | 0 | 109.3 | E202 N206 | E202-N204 PolarHBondContact O-N 3.35Å; E202-N204 VanDerWaalsContact O-N 3.12Å; N204-N206 PolarHBondContact O-N 2.79Å; N204-N206 VanDerWaalsContact O-N 3.09Å; N204-N206 WeakPolarHBondContact OD1-CB 3.45Å; N204-N206 VanDerWaalsContact OD1-CG 3.23Å; N204-N206 PolarHBondContact OD1-N 3.25Å; N204-N206 PolarHBondContact OD1-ND2 2.96Å |
| 205 | R | 56.3 | Low | 44.5 | Very low | 225 Ų | 225 | 147 Ų | 147 | 85% | 0.849 | 79% | 0.786 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | 7 | -168.6 | -64.1 | -172.3 | -174.4 | 172.5 | 4.4 | 114.8 | I203 | I203-R205 PolarHBondContact O-N 3.25Š|
| 206 | N | 45.6 | Very low | 44.7 | Very low | 140 Ų | 140 | 145.1 Ų | 145.1 | 75% | 0.749 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 0.6 | -163 | -60.3 | -4.4 | 0 | 0 | 0 | 114.1 | N204 | N204-N206 PolarHBondContact O-N 2.79Å; N204-N206 VanDerWaalsContact O-N 3.09Å; N204-N206 WeakPolarHBondContact OD1-CB 3.45Å; N204-N206 VanDerWaalsContact OD1-CG 3.23Å; N204-N206 PolarHBondContact OD1-N 3.25Å; N204-N206 PolarHBondContact OD1-ND2 2.96Å |
| 207 | E | 44 | Very low | 44.8 | Very low | 173 Ų | 173 | 142 Ų | 142 | 81% | 0.808 | 76% | 0.763 | S | S | * | * | | | trans | -118.1 | 30.2 | -172 | -159.6 | 155.8 | -165.2 | 0 | 0 | 113.4 | R209 | E207-R209 VanDerWaalsContact C-N 3.32Å; E207-R209 PolarHBondContact O-N 3.18Å |
| 208 | A | 42 | Very low | 45.1 | Very low | 92 Ų | 92 | 143.1 Ų | 143.1 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | | | trans | -87.6 | 18.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 209 | R | 46.4 | Very low | 45.5 | Very low | 246 Ų | 246 | 147.3 Ų | 147.3 | 93% | 0.928 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -141.3 | 47.3 | -176.9 | -62.8 | -174.5 | 81.3 | 172.7 | 5.1 | 113.8 | E207 | E207-R209 VanDerWaalsContact C-N 3.32Å; E207-R209 PolarHBondContact O-N 3.18Å |
| 210 | S | 43.6 | Very low | 46.4 | Very low | 96 Ų | 96 | 150.1 Ų | 150.1 | 67% | 0.671 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -137.7 | 139.1 | 163.1 | -72.2 | 0 | 0 | 0 | 0 | 109.6 | A212 | S210-A212 PolarHBondContact O-N 2.89Š|
| 211 | E | 40.4 | Very low | 46.5 | Very low | 209 Ų | 209 | 149.1 Ų | 149.1 | 98% | 0.977 | 75% | 0.75 | S | S | * | * | | | trans | -76.2 | 66.3 | -173 | -60.5 | -178.4 | 149 | 0 | 0 | 112.2 | S213 | E211-S213 PolarHBondContact O-N 3.38Š|
| 212 | A | 45.4 | Very low | 46.1 | Very low | 86 Ų | 86 | 144.7 Ų | 144.7 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | | | trans | -78.8 | 109.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | S210 W214 | S210-A212 PolarHBondContact O-N 2.89Å; A212-W214 PolarHBondContact O-N 3.35Å |
| 213 | S | 45.6 | Very low | 46.4 | Very low | 78 Ų | 78 | 140.9 Ų | 140.9 | 55% | 0.545 | 73% | 0.734 | S | S | . | * | | | trans | -43.5 | 133.3 | 172.9 | 175.8 | 0 | 0 | 0 | 0 | 113 | E211 S215 S216 | E211-S213 PolarHBondContact O-N 3.38Å; S213-S215 PolarHBondContact O-N 3.41Å; S213-S215 WeakPolarHBondContact OG-CB 3.21Å; S213-S215 PolarHBondContact OG-N 2.94Å; S213-S215 PolarHBondContact OG-OG 3.22Å; S213-S216 PolarHBondContact O-N 3.05Å |
| 214 | W | 44.1 | Very low | 45.9 | Very low | 223 Ų | 223 | 143.1 Ų | 143.1 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -57.5 | -16 | 176.5 | -69.9 | 74.6 | 0 | 0 | 0 | 113.4 | A212 S216 F217 | A212-W214 PolarHBondContact O-N 3.35Å; W214-S216 PolarHBondContact O-N 2.89Å; W214-S216 VanDerWaalsContact O-N 3.09Å; W214-F217 WeakPolarHBondContact O-CD1 3.36Å; W214-F217 PolarHBondContact O-N 3.14Å |
| 215 | S | 49.4 | Very low | 45.7 | Very low | 86 Ų | 86 | 140.2 Ų | 140.2 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -62.4 | -10.9 | 176.5 | 63.8 | 0 | 0 | 0 | 0 | 115.5 | S213 | S213-S215 PolarHBondContact O-N 3.41Å; S213-S215 WeakPolarHBondContact OG-CB 3.21Å; S213-S215 PolarHBondContact OG-N 2.94Å; S213-S215 PolarHBondContact OG-OG 3.22Å |
| 216 | S | 46.8 | Very low | 44.9 | Very low | 88 Ų | 88 | 137.8 Ų | 137.8 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | G | 310 helix | trans | -82.1 | -25.7 | 179.2 | -153.9 | 0 | 0 | 0 | 0 | 113.5 | S213 W214 | S213-S216 PolarHBondContact O-N 3.05Å; W214-S216 PolarHBondContact O-N 2.89Å; W214-S216 VanDerWaalsContact O-N 3.09Å |
| 217 | F | 41.9 | Very low | 44.6 | Very low | 132 Ų | 132 | 137.8 Ų | 137.8 | 58% | 0.579 | 74% | 0.735 | S | S | * | * | G | 310 helix | trans | -78.8 | -29 | -172.5 | 111.4 | -93.3 | 0 | 0 | 0 | 113.6 | W214 K219 | W214-F217 WeakPolarHBondContact O-CD1 3.36Å; W214-F217 PolarHBondContact O-N 3.14Å; F217-K219 PolarHBondContact O-N 3.36Å |
| 218 | E | 50.7 | Low | 44.2 | Very low | 148 Ų | 148 | 132.9 Ų | 132.9 | 69% | 0.692 | 72% | 0.719 | S | S | * | * | G | 310 helix | trans | -65.7 | -23 | 178 | -66.2 | -169.8 | 148.4 | 0 | 0 | 112.9 | V220 | E218-V220 VanDerWaalsContact C-N 3.25Å; E218-V220 PolarHBondContact O-N 3.3Å |
| 219 | K | 52.6 | Low | 44 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -78.8 | -1 | -173.9 | -152.1 | 170.5 | -177.2 | -179.9 | 0 | 114.7 | F217 | F217-K219 PolarHBondContact O-N 3.36Š|
| 220 | V | 52.8 | Low | 43.8 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 72% | 0.715 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -114 | 3.6 | -176 | -161.7 | 0 | 0 | 0 | 0 | 112.4 | E218 | E218-V220 VanDerWaalsContact C-N 3.25Å; E218-V220 PolarHBondContact O-N 3.3Å |
| 221 | M | 45.5 | Very low | 43.5 | Very low | 153 Ų | 153 | 137 Ų | 137 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -112.2 | 18.8 | -171.2 | -83.8 | -74.3 | 137.1 | 0 | 0 | 115.5 | | |
| 222 | S | 39.6 | Very low | 43 | Very low | 90 Ų | 90 | 138.3 Ų | 138.3 | 63% | 0.629 | 72% | 0.723 | S | S | * | * | | | trans | -122.6 | 110.1 | 177.8 | -175.9 | 0 | 0 | 0 | 0 | 113.6 | Y224 | S222-Y224 PolarHBondContact OG-O 3.21Š|
| 223 | P | 48.6 | Very low | 42.5 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 74% | 0.74 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -114.6 | 9.1 | 143.8 | 37.2 | -30.6 | 0 | 0 | 0 | 112 | | |
| 224 | Y | 38.9 | Very low | 42.3 | Very low | 195 Ų | 195 | 146.9 Ų | 146.9 | 77% | 0.765 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -110.4 | 122.8 | 173.2 | -70.2 | -78.5 | 0 | 0 | 0 | 109.4 | S222 | S222-Y224 PolarHBondContact OG-O 3.21Š|
| 225 | G | 40.6 | Very low | 41.8 | Very low | 58 Ų | 58 | 142.3 Ų | 142.3 | 60% | 0.598 | 74% | 0.738 | S | S | * | * | | | trans | -68.2 | 175.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | I227 | G225-I227 VanDerWaalsContact C-N 3.33Å; G225-I227 PolarHBondContact O-N 3.13Å |
| 226 | N | 37.7 | Very low | 41.4 | Very low | 174 Ų | 174 | 145.7 Ų | 145.7 | 93% | 0.93 | 75% | 0.749 | S | S | * | * | | | trans | -58.4 | 82.5 | -176.7 | -58.7 | -46.7 | 0 | 0 | 0 | 113.2 | S228 | N226-S228 PolarHBondContact O-N 3.14Š|
| 227 | I | 39.1 | Very low | 41.1 | Very low | 141 Ų | 141 | 150.5 Ų | 150.5 | 72% | 0.723 | 76% | 0.762 | S | S | * | * | | | trans | -74.3 | 96.4 | 166.4 | -61.3 | 156.2 | 0 | 0 | 0 | 106.3 | G225 I229 | G225-I227 VanDerWaalsContact C-N 3.33Å; G225-I227 PolarHBondContact O-N 3.13Å; I227-I229 PolarHBondContact O-N 3.43Å |
| 228 | S | 37.3 | Very low | 41 | Very low | 69 Ų | 69 | 151.8 Ų | 151.8 | 48% | 0.483 | 77% | 0.774 | S | S | . | * | | | trans | -56.6 | 137.9 | 179.6 | 76.5 | 0 | 0 | 0 | 0 | 110.4 | N226 Q230 E231 | N226-S228 PolarHBondContact O-N 3.14Å; S228-Q230 PolarHBondContact O-N 3.08Å; S228-E231 PolarHBondContact O-N 3.14Å |
| 229 | I | 37.7 | Very low | 40.5 | Very low | 182 Ų | 182 | 154.5 Ų | 154.5 | 93% | 0.933 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 16.9 | -178.3 | -59.7 | 170 | 0 | 0 | 0 | 111.4 | I227 | I227-I229 PolarHBondContact O-N 3.43Š|
| 230 | Q | 40.6 | Very low | 40.2 | Very low | 173 Ų | 173 | 151.9 Ų | 151.9 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.2 | 1.6 | -176.7 | -84.6 | 168.5 | -53.9 | 0 | 0 | 114.2 | S228 R232 | S228-Q230 PolarHBondContact O-N 3.08Å; Q230-R232 PolarHBondContact O-N 3.04Å |
| 231 | E | 38.4 | Very low | 40.1 | Very low | 165 Ų | 165 | 150 Ų | 150 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | | | trans | -74.2 | 100.7 | 175.7 | -168.2 | 151.7 | -155.6 | 0 | 0 | 111.9 | S228 R233 | S228-E231 PolarHBondContact O-N 3.14Å; E231-R233 PolarHBondContact O-N 2.98Å |
| 232 | R | 30.8 | Very low | 40.5 | Very low | 237 Ų | 237 | 146.9 Ų | 146.9 | 89% | 0.894 | 76% | 0.757 | S | S | * | * | | | trans | -52.9 | 125.2 | -174.8 | -58.6 | 179.6 | 176.3 | -156.9 | -0.9 | 112.6 | Q230 | Q230-R232 PolarHBondContact O-N 3.04Š|
| 233 | R | 34.3 | Very low | 41.2 | Very low | 237 Ų | 237 | 150 Ų | 150 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | | | trans | -106.3 | 138 | 141.8 | -73.9 | -173 | 172 | 82.5 | 1.5 | 108.7 | E231 | E231-R233 PolarHBondContact O-N 2.98Š|
| 234 | S | 40.6 | Very low | 41.1 | Very low | 108 Ų | 108 | 152.4 Ų | 152.4 | 76% | 0.755 | 76% | 0.764 | S | S | * | * | | | trans | -61.5 | 138.6 | -168.2 | 50 | 0 | 0 | 0 | 0 | 112.8 | | |
| 235 | V | 34.6 | Very low | 41.8 | Very low | 126 Ų | 126 | 146.5 Ų | 146.5 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -47.2 | 149 | 159.7 | -67.8 | 0 | 0 | 0 | 0 | 110.9 | | |
| 236 | N | 39.9 | Very low | 42.4 | Very low | 158 Ų | 158 | 150.5 Ų | 150.5 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | | | trans | 88.5 | 38.6 | -179.9 | -46.6 | -29.2 | 0 | 0 | 0 | 118.1 | | |
| 237 | Q | 40.3 | Very low | 43.1 | Very low | 189 Ų | 189 | 148.3 Ų | 148.3 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | | | trans | -104.2 | 119 | 148.8 | -89.1 | -171.2 | -13.9 | 0 | 0 | 110.4 | Y239 | Q237-Y239 PolarHBondContact O-N 3.23Š|
| 238 | L | 40.6 | Very low | 43.3 | Very low | 158 Ų | 158 | 151 Ų | 151 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | | | trans | -59.9 | 127.9 | 175.3 | -71.6 | 165.2 | 0 | 0 | 0 | 109.6 | L240 | L238-L240 VanDerWaalsContact C-N 3.29Å; L238-L240 HydrophobicContact CB-CD1 4.36Å; L238-L240 PolarHBondContact O-N 2.76Å |
| 239 | Y | 40.9 | Very low | 43.8 | Very low | 205 Ų | 205 | 153.9 Ų | 153.9 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | | | trans | -68.3 | 87.3 | 175.9 | -169.9 | -93.2 | 0 | 0 | 0 | 109.5 | Q237 S241 | Q237-Y239 PolarHBondContact O-N 3.23Å; Y239-S241 PolarHBondContact O-N 3.02Å |
| 240 | L | 46 | Very low | 44 | Very low | 139 Ų | 139 | 153 Ų | 153 | 73% | 0.728 | 75% | 0.75 | S | S | * | * | | | trans | -65.5 | 103.8 | 168.8 | -101.8 | 69.1 | 0 | 0 | 0 | 107.9 | L238 | L238-L240 VanDerWaalsContact C-N 3.29Å; L238-L240 HydrophobicContact CB-CD1 4.36Å; L238-L240 PolarHBondContact O-N 2.76Å |
| 241 | S | 49.7 | Very low | 44 | Very low | 80 Ų | 80 | 149.3 Ų | 149.3 | 56% | 0.559 | 74% | 0.736 | S | S | * | * | | | trans | -50.4 | 137.3 | 169.1 | -63.1 | 0 | 0 | 0 | 0 | 109.8 | Y239 I243 | Y239-S241 PolarHBondContact O-N 3.02Å; S241-I243 PolarHBondContact O-N 3.43Å |
| 242 | P | 54.8 | Low | 44.4 | Very low | 87 Ų | 87 | 147.3 Ų | 147.3 | 57% | 0.565 | 73% | 0.729 | S | S | * | * | | | trans | -57 | 117.6 | 178.8 | 21.9 | -32.9 | 0 | 0 | 0 | 110.4 | F244 | P242-F244 VanDerWaalsContact C-N 3.3Å; P242-F244 HydrophobicContact CB-CD2 4.21Å; P242-F244 HydrophobicContact CB-CE2 3.75Å; P242-F244 HydrophobicContact CB-CZ 4.28Å; P242-F244 HydrophobicContact CG-CD2 4.27Å; P242-F244 HydrophobicContact CG-CE2 3.67Å; P242-F244 HydrophobicContact CG-CZ 4.48Å; P242-F244 WeakPolarHBondContact O-CD2 3.5Å; P242-F244 PolarHBondContact O-N 2.97Å |
| 243 | I | 54.3 | Low | 44.9 | Very low | 155 Ų | 155 | 143.4 Ų | 143.4 | 80% | 0.795 | 73% | 0.726 | S | S | * | * | | | trans | -73.6 | 85.8 | -179.1 | -58.4 | 173.9 | 0 | 0 | 0 | 108.2 | S241 | S241-I243 PolarHBondContact O-N 3.43Š|
| 244 | F | 46.5 | Very low | 45.2 | Very low | 165 Ų | 165 | 136.5 Ų | 136.5 | 72% | 0.724 | 71% | 0.71 | S | S | * | * | | | trans | -77 | 129.2 | 167.2 | -69.7 | -74.2 | 0 | 0 | 0 | 109.3 | P242 T246 | P242-F244 VanDerWaalsContact C-N 3.3Å; P242-F244 HydrophobicContact CB-CD2 4.21Å; P242-F244 HydrophobicContact CB-CE2 3.75Å; P242-F244 HydrophobicContact CB-CZ 4.28Å; P242-F244 HydrophobicContact CG-CD2 4.27Å; P242-F244 HydrophobicContact CG-CE2 3.67Å; P242-F244 HydrophobicContact CG-CZ 4.48Å; P242-F244 WeakPolarHBondContact O-CD2 3.5Å; P242-F244 PolarHBondContact O-N 2.97Å; F244-T246 PolarHBondContact O-N 3Å |
| 245 | P | 53.1 | Low | 44.9 | Very low | 71 Ų | 71 | 138.1 Ų | 138.1 | 46% | 0.461 | 71% | 0.71 | S | S | . | * | | | trans | -61.5 | 121 | 178.6 | -21.2 | 31.8 | 0 | 0 | 0 | 111.3 | H247 W248 | P245-H247 PolarHBondContact O-N 2.83Å; P245-W248 VanDerWaalsContact O-CD1 3.26Å |
| 246 | T | 54.1 | Low | 44.9 | Very low | 142 Ų | 142 | 137.1 Ų | 137.1 | 87% | 0.871 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 8.4 | -171.6 | 27.7 | 0 | 0 | 0 | 0 | 115.9 | F244 | F244-T246 PolarHBondContact O-N 3Š|
| 247 | H | 51.7 | Low | 44.5 | Very low | 128 Ų | 128 | 138.8 Ų | 138.8 | 59% | 0.593 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.8 | 3.8 | -174.5 | 66.6 | -97.6 | 0 | 0 | 0 | 115 | P245 D249 | P245-H247 PolarHBondContact O-N 2.83Å; H247-D249 VanDerWaalsContact C-N 3.31Å; H247-D249 PolarHBondContact O-N 3.45Å |
| 248 | W | 44 | Very low | 44.2 | Very low | 197 Ų | 197 | 135.6 Ų | 135.6 | 75% | 0.746 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -12.1 | -175.1 | -74.1 | 57.8 | 0 | 0 | 0 | 114.4 | P245 | P245-W248 VanDerWaalsContact O-CD1 3.26Š|
| 249 | D | 46.9 | Very low | 44.1 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 70% | 0.695 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.2 | 11.7 | -175 | -77.7 | -30.1 | 0 | 0 | 0 | 114.7 | H247 | H247-D249 VanDerWaalsContact C-N 3.31Å; H247-D249 PolarHBondContact O-N 3.45Å |
| 250 | Q | 43 | Very low | 43.7 | Very low | 163 Ų | 163 | 132.4 Ų | 132.4 | 76% | 0.762 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -108.4 | 8.2 | -166.9 | -69.6 | -169.1 | -2.4 | 0 | 0 | 118 | | |
| 251 | N | 40.3 | Very low | 43.1 | Very low | 96 Ų | 96 | 135.5 Ų | 135.5 | 51% | 0.513 | 71% | 0.71 | S | S | . | * | S | Bend | trans | -143.8 | 53.7 | -173.8 | -158.2 | 8.1 | 0 | 0 | 0 | 116.1 | | |
| 252 | I | 46.9 | Very low | 42.6 | Very low | 122 Ų | 122 | 137.5 Ų | 137.5 | 63% | 0.626 | 72% | 0.715 | S | S | * | * | S | Bend | trans | -123.6 | -16.7 | 177.4 | -61.7 | -176.8 | 0 | 0 | 0 | 114.2 | | |
| 253 | N | 41.2 | Very low | 41.8 | Very low | 156 Ų | 156 | 140.1 Ų | 140.1 | 83% | 0.834 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -118.2 | 32.1 | -172 | -76.6 | -10.4 | 0 | 0 | 0 | 115.8 | | |
| 254 | T | 40.5 | Very low | 41 | Very low | 92 Ų | 92 | 140 Ų | 140 | 56% | 0.564 | 73% | 0.725 | S | S | * | * | | | trans | -128.9 | 49.9 | -177.4 | 49.1 | 0 | 0 | 0 | 0 | 114.1 | | |
| 255 | N | 33.3 | Very low | 40.6 | Very low | 142 Ų | 142 | 139.8 Ų | 139.8 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | | | trans | -147.2 | 60.2 | 170.5 | -94.6 | -38.5 | 0 | 0 | 0 | 113.2 | | |
| 256 | S | 34.3 | Very low | 40 | Very low | 105 Ų | 105 | 145 Ų | 145 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -167 | 75.4 | 165.8 | 51 | 0 | 0 | 0 | 0 | 111.4 | | |
| 257 | H | 32.1 | Very low | 39.5 | Very low | 192 Ų | 192 | 146.8 Ų | 146.8 | 89% | 0.889 | 75% | 0.748 | S | S | * | * | | | trans | 165.9 | 76.9 | 149.9 | -92.3 | -64.9 | 0 | 0 | 0 | 111 | | |
| 258 | T | 34.9 | Very low | 39 | Very low | 123 Ų | 123 | 148 Ų | 148 | 76% | 0.755 | 75% | 0.753 | S | S | * | * | | | trans | -143.6 | 82.4 | 160.6 | 56 | 0 | 0 | 0 | 0 | 110.2 | | |
| 259 | N | 37.9 | Very low | 38.9 | Very low | 157 Ų | 157 | 144.1 Ų | 144.1 | 84% | 0.84 | 75% | 0.747 | S | S | * | * | | | trans | -156 | 79.4 | 159.2 | -88.2 | -17 | 0 | 0 | 0 | 102.8 | | |
| 260 | N | 32.3 | Very low | 38.6 | Very low | 138 Ų | 138 | 144 Ų | 144 | 74% | 0.738 | 75% | 0.746 | S | S | * | * | | | | 57.2 | 61.3 | 75.8 | -148.5 | 23.5 | 0 | 0 | 0 | 112 | | |
| 261 | F | 33.9 | Very low | 38.5 | Very low | 204 Ų | 204 | 143 Ų | 143 | 90% | 0.895 | 75% | 0.745 | S | S | * | * | | | trans | -109.2 | 90.4 | 154 | -103.8 | -84.4 | 0 | 0 | 0 | 107.6 | | |
| 262 | N | 37.9 | Very low | 38.9 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 66% | 0.658 | 76% | 0.759 | S | S | * | * | | | trans | -69.1 | 131.5 | 152.4 | -77.2 | -18.1 | 0 | 0 | 0 | 107.1 | | |
| 263 | N | 38 | Very low | 38.7 | Very low | 142 Ų | 142 | 149.8 Ų | 149.8 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | | | | 172.8 | 104.7 | 125.4 | -84 | -13.4 | 0 | 0 | 0 | 110.3 | | |
| 264 | N | 38.9 | Very low | 38.8 | Very low | 151 Ų | 151 | 149.5 Ų | 149.5 | 81% | 0.807 | 77% | 0.765 | S | S | * | * | | | trans | 41.9 | 99.7 | 135.3 | -52.2 | -10.8 | 0 | 0 | 0 | 117.7 | | |
| 265 | N | 38.6 | Very low | 39.1 | Very low | 162 Ų | 162 | 151.1 Ų | 151.1 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | | | trans | -62.9 | 162.5 | 146.4 | -70.4 | -48.6 | 0 | 0 | 0 | 110.2 | | |
| 266 | H | 40.4 | Very low | 39.3 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | | | trans | 94.1 | 63 | 160.3 | -126.4 | 85 | 0 | 0 | 0 | 119.8 | | |
| 267 | H | 42.5 | Very low | 39.8 | Very low | 181 Ų | 181 | 150.6 Ų | 150.6 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | trans | -155.8 | 119.4 | 134.7 | -108.8 | 59 | 0 | 0 | 0 | 106.9 | | |
| 268 | H | 41.8 | Very low | 40.6 | Very low | 154 Ų | 154 | 147 Ų | 147 | 71% | 0.713 | 77% | 0.771 | S | S | * | * | | | | 66.9 | 100.8 | 68.9 | -133 | -75.2 | 0 | 0 | 0 | 113.4 | | |
| 269 | N | 40.8 | Very low | 40.8 | Very low | 114 Ų | 114 | 147 Ų | 147 | 61% | 0.61 | 77% | 0.765 | S | S | * | * | | | trans | 77.6 | 131.8 | 147.8 | -84.1 | 34.7 | 0 | 0 | 0 | 124.3 | | |
| 270 | D | 41.1 | Very low | 41.4 | Very low | 128 Ų | 128 | 147.5 Ų | 147.5 | 68% | 0.684 | 77% | 0.766 | S | S | * | * | | | trans | 93.4 | 133.2 | 132 | -68.4 | -30.2 | 0 | 0 | 0 | 123.2 | | |
| 271 | I | 42.3 | Very low | 41.6 | Very low | 141 Ų | 141 | 146.9 Ų | 146.9 | 72% | 0.723 | 76% | 0.763 | S | S | * | * | | | trans | 73.8 | 96.5 | 155.1 | -62.3 | 155.3 | 0 | 0 | 0 | 115.4 | | |
| 272 | K | 48.1 | Very low | 41.7 | Very low | 190 Ų | 190 | 141.9 Ų | 141.9 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | | | | 81.2 | 134.8 | 78.2 | -74.8 | 173.2 | -175.8 | 179.4 | 0 | 115 | | |
| 273 | E | 41.6 | Very low | 41.8 | Very low | 171 Ų | 171 | 141 Ų | 141 | 80% | 0.799 | 75% | 0.752 | S | S | * | * | | | trans | 115.7 | 90.1 | 158.8 | -58.6 | -155 | 147 | 0 | 0 | 114.4 | | |
| 274 | I | 45.1 | Very low | 41.9 | Very low | 150 Ų | 150 | 140.6 Ų | 140.6 | 77% | 0.769 | 76% | 0.757 | S | S | * | * | | | | 67.6 | 109.3 | 85.4 | -60.3 | 161 | 0 | 0 | 0 | 112.6 | | |
| 275 | T | 44.9 | Very low | 41.8 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | | | trans | -166.8 | 113.2 | 135.2 | -76.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 276 | S | 38.3 | Very low | 42 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | 54.7 | 109.3 | 150.3 | -53 | 0 | 0 | 0 | 0 | 122.4 | | |
| 277 | T | 44.4 | Very low | 41.8 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | | | trans | -108.1 | 167.6 | 148.1 | 57.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 278 | P | 49.1 | Very low | 41.5 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 76% | 0.76 | 74% | 0.743 | S | S | * | * | | | | -135.7 | 122.3 | 109.5 | 34.1 | -22.4 | 0 | 0 | 0 | 111.6 | | |
| 279 | I | 40.2 | Very low | 41.4 | Very low | 122 Ų | 122 | 139.5 Ų | 139.5 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | | | | 59 | 102.4 | 89.1 | -57.4 | 170.4 | 0 | 0 | 0 | 113.2 | | |
| 280 | I | 49.5 | Very low | 41.5 | Very low | 168 Ų | 168 | 139 Ų | 139 | 86% | 0.862 | 75% | 0.752 | S | S | * | * | | | trans | -125.7 | 102.3 | 146 | -57.1 | 178 | 0 | 0 | 0 | 106.4 | | |
| 281 | N | 36.3 | Very low | 41.3 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 67% | 0.674 | 76% | 0.764 | S | S | * | * | | | trans | -75.1 | 150.7 | 163.1 | -64.5 | -28.9 | 0 | 0 | 0 | 107.2 | | |
| 282 | S | 36.5 | Very low | 41.1 | Very low | 98 Ų | 98 | 138.1 Ų | 138.1 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | | | | -172.1 | 147.8 | 72.3 | -61.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 283 | T | 40.7 | Very low | 40.6 | Very low | 105 Ų | 105 | 138.5 Ų | 138.5 | 64% | 0.644 | 77% | 0.768 | S | S | * | * | | | trans | 54.1 | 116.7 | 146.2 | 53.7 | 0 | 0 | 0 | 0 | 120.8 | | |
| 284 | P | 40.1 | Very low | 40.3 | Very low | 134 Ų | 134 | 138 Ų | 138 | 87% | 0.87 | 77% | 0.771 | S | S | * | * | | | trans | -79.3 | 131.9 | 154.4 | 33.3 | -29.3 | 0 | 0 | 0 | 110 | | |
| 285 | Y | 36.1 | Very low | 40 | Very low | 218 Ų | 218 | 139.6 Ų | 139.6 | 86% | 0.855 | 78% | 0.775 | S | S | * | * | | | trans | -98.6 | 130.5 | 170.6 | -106 | -87.4 | 0 | 0 | 0 | 111.2 | | |
| 286 | N | 42 | Very low | 39.6 | Very low | 143 Ų | 143 | 144.3 Ų | 144.3 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | | | trans | -105.7 | 149.2 | 175.7 | -129.1 | -14.5 | 0 | 0 | 0 | 108.7 | | |
| 287 | M | 36.3 | Very low | 39.9 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 74% | 0.739 | 78% | 0.777 | S | S | * | * | | | trans | 73 | 123.5 | 156.2 | -62.4 | -67.7 | -90.2 | 0 | 0 | 120.8 | | |
| 288 | I | 37.2 | Very low | 39.5 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 68% | 0.682 | 78% | 0.775 | S | S | * | * | | | trans | 72.7 | 123.7 | 143.2 | -60.1 | 163.8 | 0 | 0 | 0 | 118.2 | | |
| 289 | N | 38.4 | Very low | 39.3 | Very low | 160 Ų | 160 | 145 Ų | 145 | 86% | 0.856 | 78% | 0.778 | S | S | * | * | | | trans | -150.8 | 158 | 145.6 | -115.9 | -4.3 | 0 | 0 | 0 | 109.5 | | |
| 290 | P | 44.3 | Very low | 39.1 | Very low | 102 Ų | 102 | 146.7 Ų | 146.7 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | | | | -133.5 | 175.8 | -119.3 | 35.7 | -16.2 | 0 | 0 | 0 | 114.7 | | |
| 291 | I | 35.3 | Very low | 38.6 | Very low | 183 Ų | 183 | 146.2 Ų | 146.2 | 94% | 0.938 | 78% | 0.781 | S | S | * | * | | | trans | -130 | 120.5 | 161.3 | -90.2 | 164.9 | 0 | 0 | 0 | 107.1 | | |
| 292 | G | 39.1 | Very low | 38.5 | Very low | 69 Ų | 69 | 147.4 Ų | 147.4 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | 179.6 | 66.9 | -168.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 293 | Q | 36.8 | Very low | 38.6 | Very low | 197 Ų | 197 | 146.7 Ų | 146.7 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | | | trans | 40.3 | 110.8 | 156.5 | -54.4 | -156.9 | -21.6 | 0 | 0 | 119.7 | | |
| 294 | D | 35.3 | Very low | 38.5 | Very low | 160 Ų | 160 | 148.5 Ų | 148.5 | 86% | 0.856 | 79% | 0.787 | S | S | * | * | | | trans | -71.7 | 135.9 | 156.3 | -74.3 | -59.9 | 0 | 0 | 0 | 111.1 | | |
| 295 | E | 40.1 | Very low | 38.3 | Very low | 184 Ų | 184 | 147.5 Ų | 147.5 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -144.7 | 135.1 | 146 | -95.7 | -57.3 | 163.5 | 0 | 0 | 108.9 | | |
| 296 | R | 35.1 | Very low | 38.6 | Very low | 227 Ų | 227 | 142.4 Ų | 142.4 | 86% | 0.857 | 78% | 0.776 | S | S | * | * | | | trans | -101.8 | 158.8 | -173.3 | -71 | 176.3 | 172.2 | 178.9 | -2.9 | 111.6 | | |
| 297 | P | 44.4 | Very low | 38.4 | Very low | 116 Ų | 116 | 140.6 Ų | 140.6 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | | | trans | -98.6 | 119.6 | 154.6 | 32.5 | -24.8 | 0 | 0 | 0 | 112.7 | | |
| 298 | V | 36.6 | Very low | 38.5 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | | | trans | 52 | 112.8 | 134 | -169.7 | 0 | 0 | 0 | 0 | 119.5 | | |
| 299 | T | 44.2 | Very low | 38.5 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | | | | -166.4 | 136.4 | 108.6 | 32.3 | 0 | 0 | 0 | 0 | 112.5 | | |
| 300 | H | 36.8 | Very low | 38.6 | Very low | 158 Ų | 158 | 138.2 Ų | 138.2 | 73% | 0.731 | 77% | 0.767 | S | S | * | * | | | trans | -39.8 | 142.5 | 174.9 | -48.1 | -96.8 | 0 | 0 | 0 | 117.1 | | |
| 301 | L | 38.2 | Very low | 38.4 | Very low | 157 Ų | 157 | 140.3 Ų | 140.3 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | | | | 177.8 | 154.4 | 98.6 | -87.2 | 173 | 0 | 0 | 0 | 112.6 | | |
| 302 | L | 35.3 | Very low | 38.6 | Very low | 152 Ų | 152 | 140.2 Ų | 140.2 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | | | trans | -23.9 | 157 | 167.6 | -79.5 | 61.5 | 0 | 0 | 0 | 117.9 | | |
| 303 | S | 39.2 | Very low | 38.5 | Very low | 82 Ų | 82 | 141.8 Ų | 141.8 | 57% | 0.573 | 76% | 0.761 | S | S | * | * | | | cis | 178.2 | 158.7 | -6 | 51.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 304 | N | 36.7 | Very low | 38.7 | Very low | 143 Ų | 143 | 137.6 Ų | 137.6 | 77% | 0.765 | 75% | 0.753 | S | S | * | * | | | trans | 69.5 | 146 | 154.4 | -62.8 | -4.3 | 0 | 0 | 0 | 117.4 | | |
| 305 | T | 37.6 | Very low | 39 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | | | cis | -166.1 | 150.8 | 2.1 | 11.4 | 0 | 0 | 0 | 0 | 110.2 | | |
| 306 | S | 40.7 | Very low | 39.3 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | | | trans | 54.9 | 145.5 | 151.6 | 56.2 | 0 | 0 | 0 | 0 | 120.4 | | |
| 307 | S | 39.6 | Very low | 39.4 | Very low | 105 Ų | 105 | 125.8 Ų | 125.8 | 73% | 0.734 | 74% | 0.736 | S | S | * | * | | | cis | -161.2 | 132.8 | 2.1 | 42.6 | 0 | 0 | 0 | 0 | 111.4 | | |
| 308 | S | 38.1 | Very low | 39.2 | Very low | 92 Ų | 92 | 131.5 Ų | 131.5 | 64% | 0.643 | 74% | 0.744 | S | S | * | * | | | | 35.4 | 121.8 | 123.5 | -164 | 0 | 0 | 0 | 0 | 121 | | |
| 309 | F | 36.3 | Very low | 39.5 | Very low | 209 Ų | 209 | 133.2 Ų | 133.2 | 92% | 0.917 | 75% | 0.75 | S | S | * | * | | | | -146.6 | 143 | 115.3 | -125.9 | -86.8 | 0 | 0 | 0 | 110.2 | | |
| 310 | T | 40.6 | Very low | 39.3 | Very low | 91 Ų | 91 | 132.3 Ų | 132.3 | 56% | 0.558 | 75% | 0.748 | S | S | * | * | | | trans | -109.4 | 176.4 | -162.3 | 40 | 0 | 0 | 0 | 0 | 114.4 | | |
| 311 | E | 40 | Very low | 39.5 | Very low | 146 Ų | 146 | 130 Ų | 130 | 68% | 0.682 | 75% | 0.75 | S | S | * | * | | | trans | 79.2 | 147.1 | 159.1 | -72.6 | 141.5 | -103.6 | 0 | 0 | 118.5 | | |
| 312 | F | 39.4 | Very low | 39.5 | Very low | 182 Ų | 182 | 132.3 Ų | 132.3 | 80% | 0.798 | 75% | 0.753 | S | S | * | * | | | cis | -135.4 | 136.8 | 1 | -115.1 | -58.9 | 0 | 0 | 0 | 113 | | |
| 313 | S | 38.1 | Very low | 39.8 | Very low | 101 Ų | 101 | 129.7 Ų | 129.7 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | -54.4 | 171 | 149.5 | -65.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 314 | S | 40.1 | Very low | 39.8 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | | | cis | 179.8 | 130.7 | -22.1 | -82.9 | 0 | 0 | 0 | 0 | 104.6 | | |
| 315 | D | 41.7 | Very low | 39.9 | Very low | 154 Ų | 154 | 136.7 Ų | 136.7 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | | | trans | -155 | 155.6 | 155.1 | -142.7 | -26.1 | 0 | 0 | 0 | 113.3 | | |
| 316 | S | 46 | Very low | 40 | Very low | 105 Ų | 105 | 138.3 Ų | 138.3 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | | | trans | -43.1 | 154.6 | 170.3 | 55.5 | 0 | 0 | 0 | 0 | 114.8 | | |
| 317 | G | 38.6 | Very low | 39.8 | Very low | 63 Ų | 63 | 142.8 Ų | 142.8 | 65% | 0.649 | 78% | 0.777 | S | S | * | * | | | cis | 123.2 | 91.2 | 12.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 318 | Y | 39.7 | Very low | 39.6 | Very low | 237 Ų | 237 | 145.3 Ų | 145.3 | 93% | 0.929 | 78% | 0.781 | S | S | * | * | | | trans | -151 | 121.1 | 166.6 | -107.2 | -77.6 | 0 | 0 | 0 | 110.2 | | |
| 319 | D | 42.6 | Very low | 39.6 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | | | trans | -98.2 | 121.7 | 170 | -179.9 | 11.1 | 0 | 0 | 0 | 108.8 | | |
| 320 | S | 41.1 | Very low | 39.9 | Very low | 113 Ų | 113 | 144.6 Ų | 144.6 | 79% | 0.79 | 78% | 0.777 | S | S | * | * | | | trans | -161.5 | 139.6 | 160.8 | -143.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 321 | S | 39.2 | Very low | 39.9 | Very low | 109 Ų | 109 | 147.9 Ų | 147.9 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | | | trans | -91.2 | 112.7 | -166.3 | -24 | 0 | 0 | 0 | 0 | 112.7 | | |
| 322 | K | 40 | Very low | 39.5 | Very low | 206 Ų | 206 | 145.7 Ų | 145.7 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | | | trans | 179.3 | 108.3 | 156.9 | -109.3 | 170.3 | 179.1 | -179.2 | 0 | 112.7 | | |
| 323 | S | 41 | Very low | 39.4 | Very low | 97 Ų | 97 | 144.1 Ų | 144.1 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | | | trans | -178.7 | 28.8 | 153.5 | 52 | 0 | 0 | 0 | 0 | 116 | L325 | S323-L325 PolarHBondContact O-N 2.86Š|
| 324 | Q | 38.4 | Very low | 39.3 | Very low | 205 Ų | 205 | 147.3 Ų | 147.3 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80 | 17.7 | 168.5 | -79.1 | -113.7 | -24.1 | 0 | 0 | 113.9 | | |
| 325 | L | 38.9 | Very low | 39.3 | Very low | 167 Ų | 167 | 153.2 Ų | 153.2 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -122.2 | 13.6 | -179.7 | -94 | 173.9 | 0 | 0 | 0 | 114.5 | S323 | S323-L325 PolarHBondContact O-N 2.86Š|
| 326 | E | 39.7 | Very low | 39.3 | Very low | 149 Ų | 149 | 150.7 Ų | 150.7 | 70% | 0.696 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -116 | 3.1 | -174.8 | -97.7 | -173.8 | 143.5 | 0 | 0 | 116.8 | S329 | E326-S329 PolarHBondContact O-OG 3.04Š|
| 327 | F | 36.8 | Very low | 39.1 | Very low | 205 Ų | 205 | 153 Ų | 153 | 90% | 0.899 | 81% | 0.805 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.1 | 6.2 | 174.5 | -139.8 | -96.3 | 0 | 0 | 0 | 114.7 | | |
| 328 | L | 36.3 | Very low | 39.4 | Very low | 157 Ų | 157 | 155.1 Ų | 155.1 | 82% | 0.822 | 81% | 0.807 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117 | 12.1 | 179.8 | -65.8 | 179 | 0 | 0 | 0 | 114.2 | | |
| 329 | S | 37.3 | Very low | 39.6 | Very low | 84 Ų | 84 | 149.2 Ų | 149.2 | 59% | 0.587 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -95.2 | 0.2 | 179.4 | 59.2 | 0 | 0 | 0 | 0 | 115 | E326 | E326-S329 PolarHBondContact O-OG 3.04Š|
| 330 | K | 42.1 | Very low | 39.2 | Very low | 203 Ų | 203 | 153.6 Ų | 153.6 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -110.8 | 11.5 | -178.6 | -84.7 | -178.3 | 175.9 | 175.2 | 0 | 115.9 | | |
| 331 | I | 40 | Very low | 39.3 | Very low | 159 Ų | 159 | 158 Ų | 158 | 82% | 0.815 | 80% | 0.801 | S | S | * | * | | | trans | -122.4 | 63.7 | 169.9 | -45.1 | 179 | 0 | 0 | 0 | 109.4 | | |
| 332 | S | 32.5 | Very low | 39.1 | Very low | 100 Ų | 100 | 160.8 Ų | 160.8 | 70% | 0.699 | 81% | 0.808 | S | S | * | * | | | trans | -136.6 | 79.5 | 170.5 | 175.1 | 0 | 0 | 0 | 0 | 109.1 | | |
| 333 | N | 37.7 | Very low | 39.1 | Very low | 150 Ų | 150 | 158 Ų | 158 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -164.7 | 143.8 | 156.6 | -91 | -35.2 | 0 | 0 | 0 | 109.7 | | |
| 334 | H | 36.2 | Very low | 38.9 | Very low | 167 Ų | 167 | 156.6 Ų | 156.6 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | | | trans | 67 | 65.2 | 173.7 | -64.5 | -76.9 | 0 | 0 | 0 | 119.8 | | |
| 335 | Y | 38.7 | Very low | 39 | Very low | 234 Ų | 234 | 153 Ų | 153 | 92% | 0.918 | 81% | 0.805 | S | S | * | * | | | trans | -136.8 | 90 | 135.8 | -74.2 | -68.3 | 0 | 0 | 0 | 110.4 | L337 | Y335-L337 PolarHBondContact O-N 3.47Š|
| 336 | A | 42.3 | Very low | 38.9 | Very low | 102 Ų | 102 | 152.7 Ų | 152.7 | 84% | 0.843 | 80% | 0.801 | S | S | * | * | | | trans | -82.4 | 106.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 337 | L | 42.3 | Very low | 39 | Very low | 153 Ų | 153 | 151.8 Ų | 151.8 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | | | trans | -86.1 | 128.6 | 168.1 | -70.4 | 169.7 | 0 | 0 | 0 | 109.1 | Y335 T339 | Y335-L337 PolarHBondContact O-N 3.47Å; L337-T339 PolarHBondContact O-N 3.41Å |
| 338 | P | 43.8 | Very low | 39.1 | Very low | 108 Ų | 108 | 147.9 Ų | 147.9 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | trans | -68.2 | 99.9 | 176 | -20.7 | 33.5 | 0 | 0 | 0 | 111.8 | W340 | P338-W340 PolarHBondContact O-N 3.39Š|
| 339 | T | 44.3 | Very low | 39.4 | Very low | 112 Ų | 112 | 147.6 Ų | 147.6 | 69% | 0.687 | 81% | 0.806 | S | S | * | * | | | trans | -70.1 | 107.1 | 167.9 | 40.6 | 0 | 0 | 0 | 0 | 110.7 | L337 Y341 | L337-T339 PolarHBondContact O-N 3.41Å; T339-Y341 HydrophobicContact CG2-CD2 4.3Å; T339-Y341 HydrophobicContact CG2-CE2 4.15Å |
| 340 | W | 34.2 | Very low | 39.2 | Very low | 245 Ų | 245 | 148.9 Ų | 148.9 | 93% | 0.928 | 82% | 0.815 | S | S | * | * | | | trans | -93.5 | 93.6 | 166 | -75.6 | 50.3 | 0 | 0 | 0 | 108.7 | P338 | P338-W340 PolarHBondContact O-N 3.39Š|
| 341 | Y | 42.9 | Very low | 39.1 | Very low | 205 Ų | 205 | 146 Ų | 146 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | | | trans | -109.7 | 140.2 | 169.7 | -82 | -76.4 | 0 | 0 | 0 | 110.9 | T339 | T339-Y341 HydrophobicContact CG2-CD2 4.3Å; T339-Y341 HydrophobicContact CG2-CE2 4.15Å |
| 342 | N | 35.2 | Very low | 39 | Very low | 169 Ų | 169 | 142.7 Ų | 142.7 | 90% | 0.904 | 81% | 0.805 | S | S | * | * | | | trans | -38.1 | 127.6 | 179.9 | -82 | -28.3 | 0 | 0 | 0 | 115.8 | | |
| 343 | V | 39.9 | Very low | 39.3 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | | | trans | -138.1 | 125.5 | 153.3 | -172.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 344 | G | 38.5 | Very low | 39.3 | Very low | 67 Ų | 67 | 144.5 Ų | 144.5 | 69% | 0.691 | 81% | 0.806 | S | S | * | * | | | cis | -164.4 | 177.1 | -3.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 345 | C | 38.9 | Very low | 39.5 | Very low | 130 Ų | 130 | 141 Ų | 141 | 88% | 0.878 | 80% | 0.801 | S | S | * | * | | | trans | -85.4 | 138.3 | 174.2 | -66.2 | 0 | 0 | 0 | 0 | 111.7 | | |
| 346 | M | 38.1 | Very low | 39.4 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 79% | 0.788 | 80% | 0.796 | S | S | * | * | | | trans | 24.5 | 144.5 | 147.9 | -56.9 | -69.3 | 94 | 0 | 0 | 120.4 | | |
| 347 | P | 41.9 | Very low | 39.5 | Very low | 130 Ų | 130 | 137.3 Ų | 137.3 | 84% | 0.844 | 79% | 0.788 | S | S | * | * | | | | -131.8 | 160.9 | 100.7 | 36.3 | -28.3 | 0 | 0 | 0 | 115.2 | | |
| 348 | T | 38.4 | Very low | 39.4 | Very low | 123 Ų | 123 | 137.4 Ų | 137.4 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | | | trans | -82.4 | 140.1 | -177.9 | 50.5 | 0 | 0 | 0 | 0 | 113.6 | | |
| 349 | T | 41.8 | Very low | 39.2 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 93% | 0.926 | 79% | 0.79 | S | S | * | * | | | trans | -146.4 | 152.7 | 146.3 | 43 | 0 | 0 | 0 | 0 | 111.1 | | |
| 350 | S | 32.8 | Very low | 39 | Very low | 110 Ų | 110 | 136.5 Ų | 136.5 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | | | trans | -124.7 | 132.2 | -165.2 | 52.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 351 | V | 40.3 | Very low | 39 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | | | trans | -174 | 144.5 | 151.6 | -95.6 | 0 | 0 | 0 | 0 | 107 | | |
| 352 | S | 37.6 | Very low | 38.8 | Very low | 91 Ų | 91 | 127.3 Ų | 127.3 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | | | cis | 166.8 | 129.1 | -22.9 | 47.5 | 0 | 0 | 0 | 0 | 105 | | |
| 353 | S | 39.4 | Very low | 39 | Very low | 99 Ų | 99 | 123.3 Ų | 123.3 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | | | trans | 69.8 | 144.4 | 163.5 | -39.3 | 0 | 0 | 0 | 0 | 116.1 | | |
| 354 | F | 38.2 | Very low | 38.8 | Very low | 188 Ų | 188 | 123.4 Ų | 123.4 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | | | cis | -138.9 | 144 | 21.3 | -90.3 | -92.3 | 0 | 0 | 0 | 113.5 | | |
| 355 | S | 40.9 | Very low | 38.6 | Very low | 95 Ų | 95 | 124.4 Ų | 124.4 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | | | trans | 34.5 | 148.3 | 131 | -55.3 | 0 | 0 | 0 | 0 | 122.8 | | |
| 356 | N | 35.2 | Very low | 38.5 | Very low | 154 Ų | 154 | 124.3 Ų | 124.3 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | | | cis | -170.2 | 168.8 | -28.2 | -119 | -2.1 | 0 | 0 | 0 | 108.2 | | |
| 357 | P | 44.7 | Very low | 38.5 | Very low | 104 Ų | 104 | 121.1 Ų | 121.1 | 68% | 0.675 | 74% | 0.741 | S | S | * | * | | | trans | -103.6 | -177 | -165.7 | 41.7 | -37.8 | 0 | 0 | 0 | 114.1 | | |
| 358 | L | 40 | Very low | 38.5 | Very low | 155 Ų | 155 | 123.5 Ų | 123.5 | 81% | 0.812 | 74% | 0.738 | S | S | * | * | | | trans | -170.6 | 127.8 | 140.7 | -117.9 | 69.5 | 0 | 0 | 0 | 107.9 | | |
| 359 | V | 40.2 | Very low | 38.2 | Very low | 122 Ų | 122 | 124.6 Ų | 124.6 | 74% | 0.739 | 74% | 0.739 | S | S | * | * | | | | 76.4 | 134.3 | 88.9 | 156.4 | 0 | 0 | 0 | 0 | 112.6 | | |
| 360 | S | 40.3 | Very low | 37.8 | Very low | 79 Ų | 79 | 126.5 Ų | 126.5 | 55% | 0.552 | 74% | 0.738 | S | S | * | * | | | cis | -176 | 157.7 | 2.4 | 49.9 | 0 | 0 | 0 | 0 | 112.8 | | |
| 361 | N | 34.3 | Very low | 37.8 | Very low | 154 Ų | 154 | 125.3 Ų | 125.3 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | | | trans | 57.7 | 157.1 | 144.4 | -52.9 | -7.8 | 0 | 0 | 0 | 118.5 | | |
| 362 | S | 37.7 | Very low | 37.5 | Very low | 102 Ų | 102 | 124.7 Ų | 124.7 | 71% | 0.713 | 73% | 0.726 | S | S | * | * | | | cis | -150.8 | 168.8 | 3.1 | -151.2 | 0 | 0 | 0 | 0 | 111.5 | | |
| 363 | S | 39 | Very low | 37.2 | Very low | 86 Ų | 86 | 127.2 Ų | 127.2 | 60% | 0.601 | 73% | 0.732 | S | S | * | * | | | trans | -5.6 | 150.3 | 150 | 60 | 0 | 0 | 0 | 0 | 119.1 | | |
| 364 | D | 37.4 | Very low | 37.1 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 80% | 0.797 | 74% | 0.735 | S | S | * | * | | | | -163.8 | 173.9 | 52.4 | -124.6 | -49.5 | 0 | 0 | 0 | 116.6 | | |
| 365 | S | 32.7 | Very low | 37.1 | Very low | 89 Ų | 89 | 127.2 Ų | 127.2 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | | | trans | -92.6 | 153.3 | -175.6 | 63.9 | 0 | 0 | 0 | 0 | 114.8 | | |
| 366 | T | 38.2 | Very low | 36.9 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | | | | 170.9 | 116.6 | 119.4 | 33.7 | 0 | 0 | 0 | 0 | 116.6 | | |
| 367 | S | 37.1 | Very low | 37.3 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 65% | 0.65 | 74% | 0.735 | S | S | * | * | | | | 67.8 | 137.9 | 128.3 | 96.4 | 0 | 0 | 0 | 0 | 124.6 | | |
| 368 | K | 41.8 | Very low | 37.3 | Very low | 180 Ų | 180 | 130.3 Ų | 130.3 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | | | trans | 83 | 101.2 | 143.6 | -69 | 165.8 | -175.7 | 172.9 | 0 | 121.7 | | |
| 369 | N | 32.1 | Very low | 37.3 | Very low | 146 Ų | 146 | 130.1 Ų | 130.1 | 78% | 0.781 | 74% | 0.741 | S | S | * | * | | | | 49.2 | 94.6 | 117.9 | -59.5 | -5.6 | 0 | 0 | 0 | 120.1 | | |
| 370 | Q | 33.3 | Very low | 37.4 | Very low | 191 Ų | 191 | 131.7 Ų | 131.7 | 89% | 0.893 | 74% | 0.74 | S | S | * | * | | | trans | -175.9 | 150 | 140.1 | -104.7 | 154.5 | 97.4 | 0 | 0 | 106.2 | | |
| 371 | S | 33.5 | Very low | 37.5 | Very low | 85 Ų | 85 | 139.9 Ų | 139.9 | 59% | 0.594 | 76% | 0.759 | S | S | * | * | | | cis | 171.1 | 121.9 | -14.4 | 45.5 | 0 | 0 | 0 | 0 | 104.2 | | |
| 372 | V | 33.7 | Very low | 37.8 | Very low | 129 Ų | 129 | 139.9 Ų | 139.9 | 78% | 0.782 | 76% | 0.759 | S | S | * | * | | | trans | 62.6 | 139.8 | 152.6 | -161.4 | 0 | 0 | 0 | 0 | 118.4 | | |
| 373 | L | 32.7 | Very low | 38.1 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | | | trans | 81.5 | 150 | 174.4 | -48.1 | -177.6 | 0 | 0 | 0 | 117.1 | | |
| 374 | N | 36.6 | Very low | 38.3 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | trans | 74 | 121.2 | 174.6 | -44.6 | -29.6 | 0 | 0 | 0 | 113.1 | | |
| 375 | N | 37.1 | Very low | 38.8 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | | | cis | -136.5 | 122.8 | 30.1 | -72.6 | -55 | 0 | 0 | 0 | 113.9 | S377 | N375-S377 PolarHBondContact O-N 3Š|
| 376 | V | 37.6 | Very low | 39.3 | Very low | 143 Ų | 143 | 148.8 Ų | 148.8 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | | | trans | -78.2 | 108.9 | 160.6 | 174.6 | 0 | 0 | 0 | 0 | 107.4 | | |
| 377 | S | 43.7 | Very low | 39.8 | Very low | 97 Ų | 97 | 149.8 Ų | 149.8 | 68% | 0.678 | 78% | 0.784 | S | S | * | * | | | trans | -148.1 | 9.8 | -177.2 | -48.6 | 0 | 0 | 0 | 0 | 115.5 | N375 | N375-S377 PolarHBondContact O-N 3Š|
| 378 | H | 44.5 | Very low | 40.2 | Very low | 177 Ų | 177 | 155.2 Ų | 155.2 | 82% | 0.819 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -135.5 | 19.3 | -171.3 | -153.2 | -81.1 | 0 | 0 | 0 | 114.8 | | |
| 379 | L | 41 | Very low | 40.1 | Very low | 151 Ų | 151 | 155.4 Ų | 155.4 | 79% | 0.791 | 80% | 0.798 | S | S | * | * | | | trans | -132.4 | 19.1 | -178.6 | -69.1 | 176.6 | 0 | 0 | 0 | 114.1 | | |
| 380 | Q | 41.5 | Very low | 40.9 | Very low | 155 Ų | 155 | 153 Ų | 153 | 72% | 0.724 | 79% | 0.792 | S | S | * | * | | | trans | -87 | -0.8 | -177.2 | -163.8 | 54.2 | 65 | 0 | 0 | 114.4 | | |
| 381 | W | 42.8 | Very low | 41.7 | Very low | 252 Ų | 252 | 154 Ų | 154 | 96% | 0.955 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -96 | 20 | -172.2 | -83.5 | 102 | 0 | 0 | 0 | 115.2 | | |
| 382 | L | 39.4 | Very low | 42.1 | Very low | 154 Ų | 154 | 157.4 Ų | 157.4 | 81% | 0.806 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -130.6 | 6.3 | -172 | -96.8 | 172 | 0 | 0 | 0 | 116.5 | | |
| 383 | L | 43.7 | Very low | 42.5 | Very low | 138 Ų | 138 | 159 Ų | 159 | 72% | 0.723 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -138.1 | 138 | 170 | -70.5 | 93.5 | 0 | 0 | 0 | 109.3 | | |
| 384 | N | 44.1 | Very low | 43.5 | Very low | 147 Ų | 147 | 155.6 Ų | 155.6 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | | | trans | 99.8 | 83.8 | -176.9 | -53.9 | -16.9 | 0 | 0 | 0 | 114.8 | | |
| 385 | D | 46.8 | Very low | 44 | Very low | 171 Ų | 171 | 159.3 Ų | 159.3 | 91% | 0.914 | 84% | 0.837 | S | S | * | * | | | trans | -157.1 | 41.8 | 143.6 | -100.6 | -24.2 | 0 | 0 | 0 | 110.9 | N387 | D385-N387 PolarHBondContact O-N 3.5Å; D385-N387 VanDerWaalsContact O-N 3.14Å |
| 386 | D | 44.6 | Very low | 44.3 | Very low | 157 Ų | 157 | 160.2 Ų | 160.2 | 84% | 0.84 | 84% | 0.84 | S | S | * | * | | | trans | -79.3 | 80.9 | 166.7 | -75.3 | -47.8 | 0 | 0 | 0 | 109.7 | | |
| 387 | N | 49.2 | Very low | 44.7 | Very low | 147 Ų | 147 | 161.1 Ų | 161.1 | 79% | 0.786 | 84% | 0.839 | S | S | * | * | | | trans | 174.3 | 104.2 | 155.2 | -101.2 | -61.3 | 0 | 0 | 0 | 112.3 | D385 | D385-N387 PolarHBondContact O-N 3.5Å; D385-N387 VanDerWaalsContact O-N 3.14Å |
| 388 | Y | 44.8 | Very low | 44.7 | Very low | 207 Ų | 207 | 164.6 Ų | 164.6 | 81% | 0.812 | 85% | 0.848 | S | S | * | * | | | | -177.9 | 79.9 | 119.5 | -126.4 | -102.3 | 0 | 0 | 0 | 112.6 | | |
| 389 | M | 39.1 | Very low | 44.7 | Very low | 184 Ų | 184 | 163.9 Ų | 163.9 | 91% | 0.906 | 85% | 0.85 | S | S | * | * | | | trans | -88.7 | 102.1 | 158.5 | -84.3 | -73.9 | 129.1 | 0 | 0 | 108.6 | | |
| 390 | S | 48.7 | Very low | 45 | Very low | 96 Ų | 96 | 164.7 Ų | 164.7 | 67% | 0.671 | 85% | 0.853 | S | S | * | * | | | trans | 177.2 | 100.6 | 158.2 | -86.1 | 0 | 0 | 0 | 0 | 113.2 | | |
| 391 | K | 49.5 | Very low | 45.2 | Very low | 211 Ų | 211 | 165.3 Ų | 165.3 | 92% | 0.917 | 86% | 0.862 | S | S | * | * | | | | 171.1 | 99.5 | 127.1 | -95.7 | 172.1 | 179.5 | -179.4 | 0 | 111.5 | | |
| 392 | L | 42.8 | Very low | 45.4 | Very low | 158 Ų | 158 | 159.1 Ų | 159.1 | 83% | 0.827 | 86% | 0.855 | S | S | * | * | | | trans | -91.5 | 154.1 | 153.4 | -72.3 | 165.5 | 0 | 0 | 0 | 108.6 | | |
| 393 | N | 43.2 | Very low | 45.8 | Very low | 163 Ų | 163 | 159.5 Ų | 159.5 | 87% | 0.872 | 86% | 0.859 | S | S | * | * | | | trans | 80.1 | 136 | 163 | -52.9 | -19.6 | 0 | 0 | 0 | 119.3 | | |
| 394 | G | 52.5 | Low | 46 | Very low | 73 Ų | 73 | 161.3 Ų | 161.3 | 75% | 0.753 | 87% | 0.871 | S | S | * | * | | | trans | 90.2 | 114 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 395 | T | 46.7 | Very low | 46.2 | Very low | 222 Ų | 222 | 162.6 Ų | 162.6 | 100% | 1.362 | 88% | 0.878 | S | S | * | * | | | cis | -149.2 | 0 | 9.1 | 32.3 | 0 | 0 | 0 | 0 | 110.1 | | |