| 1 | M | 35.1 | Very low | 36.7 | Very low | 234 Ų | 234 | 144 Ų | 144 | 100% | 1.153 | 80% | 0.799 | S | S | * | * | | | | 0 | 144.8 | 0 | -83.1 | 146 | 54.8 | 0 | 0 | 108.9 | | |
| 2 | V | 36.7 | Very low | 36 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | 38.1 | 98.2 | 150.9 | -173.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 3 | S | 40.2 | Very low | 36.1 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | | 61.7 | 161 | 125.1 | -48.8 | 0 | 0 | 0 | 0 | 120 | | |
| 4 | K | 46.5 | Very low | 35.8 | Very low | 200 Ų | 200 | 138.4 Ų | 138.4 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | | | cis | -150.6 | 143.2 | 18.7 | -156 | 170.8 | -178.2 | -179.3 | 0 | 112 | | |
| 5 | D | 48.4 | Very low | 35.9 | Very low | 121 Ų | 121 | 141.1 Ų | 141.1 | 65% | 0.647 | 79% | 0.793 | S | S | * | * | | | trans | -88.7 | 165.6 | 175.1 | -157.4 | -41 | 0 | 0 | 0 | 110.9 | | |
| 6 | T | 42 | Very low | 35.6 | Very low | 140 Ų | 140 | 140.3 Ų | 140.3 | 86% | 0.859 | 80% | 0.799 | S | S | * | * | | | trans | 136.1 | 128.9 | 165.5 | 44 | 0 | 0 | 0 | 0 | 111.6 | | |
| 7 | G | 33.8 | Very low | 35.4 | Very low | 63 Ų | 63 | 142.3 Ų | 142.3 | 65% | 0.649 | 80% | 0.8 | S | S | * | * | | | cis | -152.4 | 151 | -13.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 8 | K | 35.2 | Very low | 35.5 | Very low | 186 Ų | 186 | 140.6 Ų | 140.6 | 81% | 0.809 | 79% | 0.793 | S | S | * | * | | | | 74 | 134.4 | 54.3 | -80.2 | -169.4 | 175.7 | 177.1 | 0 | 115.3 | | |
| 9 | C | 26.1 | Very low | 35.8 | Very low | 112 Ų | 112 | 142.8 Ų | 142.8 | 76% | 0.757 | 80% | 0.796 | S | S | * | * | | | trans | 84.3 | 145.1 | 160.9 | -63.2 | 0 | 0 | 0 | 0 | 119.1 | | |
| 10 | I | 30.3 | Very low | 35.6 | Very low | 137 Ų | 137 | 141.7 Ų | 141.7 | 70% | 0.703 | 80% | 0.799 | S | S | * | * | | | cis | -168.6 | 144.1 | -30.6 | -130.7 | 168.5 | 0 | 0 | 0 | 109.8 | | |
| 11 | L | 30.1 | Very low | 35.4 | Very low | 152 Ų | 152 | 139.4 Ų | 139.4 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | | | trans | 55.7 | 178.2 | 167.8 | -61.8 | 169.6 | 0 | 0 | 0 | 114.8 | | |
| 12 | T | 27.7 | Very low | 35.4 | Very low | 114 Ų | 114 | 132.9 Ų | 132.9 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | | | cis | -143.4 | 172.1 | -2.3 | -24.7 | 0 | 0 | 0 | 0 | 109.7 | | |
| 13 | T | 37.9 | Very low | 35.2 | Very low | 129 Ų | 129 | 132.6 Ų | 132.6 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | | | trans | -54.3 | 143.4 | 164 | 47.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 14 | S | 31.1 | Very low | 35.1 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | | | trans | -153.3 | 145.9 | 158.4 | -59 | 0 | 0 | 0 | 0 | 110.4 | | |
| 15 | E | 37.1 | Very low | 34.7 | Very low | 179 Ų | 179 | 130.5 Ų | 130.5 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | | | trans | -80.5 | 151.9 | 176.1 | 54.4 | -92.2 | 70.6 | 0 | 0 | 113.3 | | |
| 16 | S | 31.5 | Very low | 34.4 | Very low | 128 Ų | 128 | 132.7 Ų | 132.7 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | | | trans | -163.3 | 153.9 | 149.4 | -152.8 | 0 | 0 | 0 | 0 | 111.5 | | |
| 17 | E | 32.8 | Very low | 34.3 | Very low | 175 Ų | 175 | 132.3 Ų | 132.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -126.9 | 172.3 | -176.1 | -162.4 | -169.3 | 128.7 | 0 | 0 | 109.5 | | |
| 18 | V | 37 | Very low | 34.6 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 68% | 0.679 | 79% | 0.789 | S | S | * | * | | | trans | 78.3 | 93.5 | 163.4 | -167.2 | 0 | 0 | 0 | 0 | 118.4 | | |
| 19 | E | 40.7 | Very low | 34.5 | Very low | 182 Ų | 182 | 135 Ų | 135 | 85% | 0.85 | 78% | 0.783 | S | S | * | * | | | | 49.9 | 129.4 | 118 | -156.8 | 175.7 | 138.5 | 0 | 0 | 122.1 | | |
| 20 | S | 32.4 | Very low | 35.2 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | | | trans | -158.9 | 153.5 | 154.7 | -86.6 | 0 | 0 | 0 | 0 | 114.1 | | |
| 21 | A | 30.8 | Very low | 35.6 | Very low | 94 Ų | 94 | 137.5 Ų | 137.5 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | | | trans | -24.7 | 136.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 22 | A | 34.7 | Very low | 36.4 | Very low | 96 Ų | 96 | 137.9 Ų | 137.9 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | | | | 70.8 | 86.9 | 54.7 | 0 | 0 | 0 | 0 | 0 | 115 | | |
| 23 | C | 32.1 | Very low | 37.2 | Very low | 122 Ų | 122 | 136.9 Ų | 136.9 | 82% | 0.824 | 78% | 0.784 | S | S | * | * | | | trans | -167.3 | 147.5 | 162.6 | -95.3 | 0 | 0 | 0 | 0 | 106.9 | | |
| 24 | L | 38.9 | Very low | 37.7 | Very low | 168 Ų | 168 | 137 Ų | 137 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | | | cis | -131.8 | 137.1 | 8.3 | -64.6 | 165.7 | 0 | 0 | 0 | 110.4 | | |
| 25 | A | 38.9 | Very low | 38.3 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | | | trans | -111.6 | 127.6 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | E27 | A25-E27 PolarHBondContact O-N 3.49Š|
| 26 | L | 40.6 | Very low | 38.7 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 87% | 0.874 | 78% | 0.779 | S | S | * | * | | | trans | -83.9 | 98.8 | -166.3 | -143.8 | 170.5 | 0 | 0 | 0 | 111.2 | M28 | L26-M28 PolarHBondContact O-N 3.09Š|
| 27 | E | 41.6 | Very low | 39.6 | Very low | 133 Ų | 133 | 141.2 Ų | 141.2 | 62% | 0.621 | 78% | 0.776 | S | S | * | * | | | trans | -80.6 | 98.7 | -172.5 | -162 | -164 | 150.5 | 0 | 0 | 112.7 | A25 K29 | A25-E27 PolarHBondContact O-N 3.49Å; E27-K29 HydrophobicContact CG-CG 4.17Å; E27-K29 PolarHBondContact O-N 3.2Å; E27-K29 WeakPolarHBondContact OE1-CG 3.32Å; E27-K29 IonicContact OE1-NZ 2.72Å; E27-K29 PolarHBondContact OE1-NZ 2.87Å; E27-K29 WeakPolarHBondContact OE2-CE 3.49Å; E27-K29 IonicContact OE2-NZ 2.64Å; E27-K29 PolarHBondContact OE2-NZ 3.37Å |
| 28 | M | 39.1 | Very low | 40.2 | Very low | 150 Ų | 150 | 137.6 Ų | 137.6 | 74% | 0.739 | 76% | 0.761 | S | S | * | * | | | trans | -70.9 | 90.5 | 171.1 | -77 | -178.1 | 63.2 | 0 | 0 | 111.7 | L26 Y30 | L26-M28 PolarHBondContact O-N 3.09Å; M28-Y30 HydrophobicContact CE-CD2 4.5Å; M28-Y30 HydrophobicContact CE-CE2 3.95Å; M28-Y30 PolarHBondContact O-N 2.96Å |
| 29 | K | 33.9 | Very low | 41.2 | Very low | 156 Ų | 156 | 141.6 Ų | 141.6 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | | | trans | -74.5 | 83.1 | 179.5 | -64.6 | -177.8 | -169.8 | -76.2 | 0 | 112.9 | E27 A31 | E27-K29 HydrophobicContact CG-CG 4.17Å; E27-K29 PolarHBondContact O-N 3.2Å; E27-K29 WeakPolarHBondContact OE1-CG 3.32Å; E27-K29 IonicContact OE1-NZ 2.72Å; E27-K29 PolarHBondContact OE1-NZ 2.87Å; E27-K29 WeakPolarHBondContact OE2-CE 3.49Å; E27-K29 IonicContact OE2-NZ 2.64Å; E27-K29 PolarHBondContact OE2-NZ 3.37Å; K29-A31 PolarHBondContact O-N 3.29Å |
| 30 | Y | 40 | Very low | 42 | Very low | 196 Ų | 196 | 142.2 Ų | 142.2 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | | | trans | -79.6 | 109.5 | 160 | -90.4 | -85.7 | 0 | 0 | 0 | 110.1 | M28 L32 | M28-Y30 HydrophobicContact CE-CD2 4.5Å; M28-Y30 HydrophobicContact CE-CE2 3.95Å; M28-Y30 PolarHBondContact O-N 2.96Å; Y30-L32 PolarHBondContact O-N 3.16Å |
| 31 | A | 39.5 | Very low | 42.7 | Very low | 104 Ų | 104 | 145.9 Ų | 145.9 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | trans | -67.5 | 115.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | K29 | K29-A31 PolarHBondContact O-N 3.29Š|
| 32 | L | 45.8 | Very low | 43.6 | Very low | 160 Ų | 160 | 148.9 Ų | 148.9 | 84% | 0.838 | 77% | 0.768 | S | S | * | * | | | trans | -86.3 | 122.2 | 174.1 | -69.2 | 175.3 | 0 | 0 | 0 | 110.5 | Y30 | Y30-L32 PolarHBondContact O-N 3.16Š|
| 33 | D | 44.9 | Very low | 44.5 | Very low | 94 Ų | 94 | 153 Ų | 153 | 50% | 0.503 | 77% | 0.768 | S | S | . | * | | | trans | -47.6 | 119.7 | 170.9 | 166.2 | 19.2 | 0 | 0 | 0 | 111.8 | N35 R36 | D33-N35 PolarHBondContact O-N 3.21Å; D33-N35 PolarHBondContact OD1-N 3.23Å; D33-R36 IonicContact OD2-NE 2.66Å |
| 34 | P | 48.9 | Very low | 45.8 | Very low | 132 Ų | 132 | 151.5 Ų | 151.5 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.6 | -19.9 | -179.6 | -23.1 | 34 | 0 | 0 | 0 | 114.9 | | |
| 35 | N | 42.6 | Very low | 46.9 | Very low | 135 Ų | 135 | 150.3 Ų | 150.3 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.1 | 30.8 | -166.2 | -152.1 | -3.2 | 0 | 0 | 0 | 114.7 | D33 | D33-N35 PolarHBondContact O-N 3.21Å; D33-N35 PolarHBondContact OD1-N 3.23Å |
| 36 | R | 45.3 | Very low | 48 | Very low | 191 Ų | 191 | 154.4 Ų | 154.4 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | | | trans | -102 | 106.1 | 165.8 | -70 | -170.8 | 174.8 | -130.9 | -3.1 | 111 | D33 I38 | D33-R36 IonicContact OD2-NE 2.66Å; R36-I38 VanDerWaalsContact C-N 3.25Å; R36-I38 HydrophobicContact CB-CD1 4.48Å; R36-I38 HydrophobicContact CB-CG1 4.17Å; R36-I38 PolarHBondContact O-N 3.35Å |
| 37 | Q | 51.3 | Low | 49 | Very low | 179 Ų | 179 | 150.8 Ų | 150.8 | 84% | 0.836 | 75% | 0.745 | S | S | * | * | | | trans | -67.8 | 76.2 | 172.7 | -65.8 | -171.7 | 10.1 | 0 | 0 | 111.9 | K39 | Q37-K39 VanDerWaalsContact C-N 3.3Å; Q37-K39 PolarHBondContact O-N 2.93Å |
| 38 | I | 45 | Very low | 50.3 | Low | 98 Ų | 98 | 152.2 Ų | 152.2 | 50% | 0.503 | 75% | 0.745 | S | S | . | * | | | trans | -76.8 | 83.9 | 179.1 | -58.2 | 177.6 | 0 | 0 | 0 | 109.6 | R36 K40 R41 | R36-I38 VanDerWaalsContact C-N 3.25Å; R36-I38 HydrophobicContact CB-CD1 4.48Å; R36-I38 HydrophobicContact CB-CG1 4.17Å; R36-I38 PolarHBondContact O-N 3.35Å; I38-K40 PolarHBondContact O-N 3.27Å; I38-K40 VanDerWaalsContact O-N 3.15Å; I38-R41 HydrophobicContact CG2-CG 4.24Å |
| 39 | K | 57.4 | Low | 51.3 | Low | 197 Ų | 197 | 153.4 Ų | 153.4 | 86% | 0.857 | 75% | 0.746 | S | S | * | * | | | trans | -66.1 | 107.5 | -173.5 | -158.5 | 168.3 | -170.8 | 168.8 | 0 | 111.6 | Q37 | Q37-K39 VanDerWaalsContact C-N 3.3Å; Q37-K39 PolarHBondContact O-N 2.93Å |
| 40 | K | 58.5 | Low | 53.2 | Low | 195 Ų | 195 | 152.9 Ų | 152.9 | 85% | 0.848 | 74% | 0.744 | S | S | * | * | | | trans | 59 | 72.5 | 162.7 | -161.5 | 178.1 | -175.7 | 177.3 | 0 | 115.7 | I38 | I38-K40 PolarHBondContact O-N 3.27Å; I38-K40 VanDerWaalsContact O-N 3.15Å |
| 41 | R | 46.8 | Very low | 54.6 | Low | 197 Ų | 197 | 145.9 Ų | 145.9 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | | | trans | -63.4 | 141.7 | 155.9 | -59.4 | -171.2 | -172.7 | 108.6 | -7.6 | 109.2 | I38 K43 | I38-R41 HydrophobicContact CG2-CG 4.24Å; R41-K43 PolarHBondContact O-N 2.78Å |
| 42 | N | 49.9 | Very low | 56.1 | Low | 157 Ų | 157 | 144.2 Ų | 144.2 | 84% | 0.84 | 70% | 0.696 | S | S | * | * | | | trans | -79.1 | 122.1 | -174.5 | -153.7 | -17.9 | 0 | 0 | 0 | 110.5 | A44 | N42-A44 PolarHBondContact O-N 2.91Å; N42-A44 VanDerWaalsContact O-N 3.11Å |
| 43 | K | 53.4 | Low | 57.2 | Low | 182 Ų | 182 | 140.1 Ų | 140.1 | 79% | 0.791 | 68% | 0.68 | S | S | * | * | | | trans | -82.2 | 90.1 | -179.9 | -171.1 | 178.9 | -177.5 | -178.3 | 0 | 108.9 | R41 L45 | R41-K43 PolarHBondContact O-N 2.78Å; K43-L45 PolarHBondContact O-N 3.39Å; K43-L45 VanDerWaalsContact O-N 3.08Å |
| 44 | A | 59.9 | Low | 58.4 | Low | 92 Ų | 92 | 141 Ų | 141 | 76% | 0.76 | 68% | 0.681 | S | S | * | * | | | trans | -57.8 | 113.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | N42 Q46 | N42-A44 PolarHBondContact O-N 2.91Å; N42-A44 VanDerWaalsContact O-N 3.11Å; A44-Q46 PolarHBondContact O-N 2.9Å; A44-Q46 VanDerWaalsContact O-N 3.11Å |
| 45 | L | 62.2 | Low | 59.6 | Low | 143 Ų | 143 | 137 Ų | 137 | 75% | 0.749 | 66% | 0.659 | S | S | * | * | | | trans | -71.8 | 101.9 | 169.3 | -86.1 | 158.7 | 0 | 0 | 0 | 107.3 | K43 V47 | K43-L45 PolarHBondContact O-N 3.39Å; K43-L45 VanDerWaalsContact O-N 3.08Å; L45-V47 PolarHBondContact O-N 2.94Å |
| 46 | Q | 60.4 | Low | 60.9 | Low | 184 Ų | 184 | 136.6 Ų | 136.6 | 86% | 0.86 | 65% | 0.653 | S | S | * | * | | | trans | -73.4 | 72.3 | 172.6 | -170.1 | 175.7 | 54.4 | 0 | 0 | 108.8 | A44 R48 | A44-Q46 PolarHBondContact O-N 2.9Å; A44-Q46 VanDerWaalsContact O-N 3.11Å; Q46-R48 PolarHBondContact O-N 2.93Å |
| 47 | V | 61.7 | Low | 61.9 | Low | 91 Ų | 91 | 130.5 Ų | 130.5 | 55% | 0.552 | 64% | 0.635 | S | S | * | * | | | trans | -57.3 | 121.1 | 172.3 | -78.1 | 0 | 0 | 0 | 0 | 108.8 | L45 I52 | L45-V47 PolarHBondContact O-N 2.94Å; V47-I52 HydrophobicContact CB-CG1 4.38Å; V47-I52 HydrophobicContact CG2-CD1 4.28Å; V47-I52 HydrophobicContact CG2-CG1 4.48Å |
| 48 | R | 69.9 | Low | 62.8 | Low | 163 Ų | 163 | 128.1 Ų | 128.1 | 62% | 0.615 | 62% | 0.623 | S | S | * | * | | | trans | -81.1 | 154.4 | 174.7 | -57.2 | 169.7 | -58.5 | 165.1 | 10.9 | 107.6 | Q46 K50 D51 I52 | Q46-R48 PolarHBondContact O-N 2.93Å; R48-K50 PolarHBondContact O-N 3.35Å; R48-D51 IonicContact CZ-OD1 3.48Å; R48-D51 PolarHBondContact N-OD2 3.11Å; R48-D51 IonicContact NE-OD1 3.26Å; R48-D51 PolarHBondContact NE-OD1 3.44Å; R48-D51 IonicContact NE-OD2 3.57Å; R48-D51 IonicContact NH2-OD1 2.83Å; R48-D51 PolarHBondContact NH2-OD1 3.35Å; R48-D51 WeakPolarHBondContact O-CB 3.34Å; R48-D51 PolarHBondContact O-N 3.33Å; R48-I52 PolarHBondContact O-N 3.48Å |
| 49 | F | 60.7 | Low | 63.6 | Low | 175 Ų | 175 | 130.3 Ų | 130.3 | 77% | 0.768 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -54.9 | -30.1 | 178.6 | -95.5 | -89.8 | 0 | 0 | 0 | 113.6 | I52 C53 | F49-I52 PolarHBondContact O-N 3.13Å; F49-C53 PolarHBondContact O-N 3.48Å; F49-C53 VanDerWaalsContact O-N 3.14Å; F49-C53 PolarHBondContact O-SG 2.88Å; F49-C53 VanDerWaalsContact O-SG 3.34Å |
| 50 | K | 72.2 | Confident | 63.7 | Low | 146 Ų | 146 | 128.3 Ų | 128.3 | 64% | 0.635 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -55.5 | -53.4 | 172.1 | 178.4 | 66.2 | 69.1 | 170.5 | 0 | 111.4 | R48 I52 C53 E54 | R48-K50 PolarHBondContact O-N 3.35Å; K50-I52 PolarHBondContact O-N 3.31Å; K50-C53 PolarHBondContact O-N 2.63Å; K50-C53 VanDerWaalsContact O-N 3.15Å; K50-E54 WeakPolarHBondContact O-CB 3.43Å; K50-E54 PolarHBondContact O-N 2.85Å |
| 51 | D | 70.8 | Confident | 63.6 | Low | 48 Ų | 48 | 122.9 Ų | 122.9 | 26% | 0.257 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62 | -31.3 | -175.3 | -34.2 | -24.9 | 0 | 0 | 0 | 111.5 | R48 A55 | R48-D51 IonicContact CZ-OD1 3.48Å; R48-D51 PolarHBondContact N-OD2 3.11Å; R48-D51 IonicContact NE-OD1 3.26Å; R48-D51 PolarHBondContact NE-OD1 3.44Å; R48-D51 IonicContact NE-OD2 3.57Å; R48-D51 IonicContact NH2-OD1 2.83Å; R48-D51 PolarHBondContact NH2-OD1 3.35Å; R48-D51 WeakPolarHBondContact O-CB 3.34Å; R48-D51 PolarHBondContact O-N 3.33Å; D51-A55 PolarHBondContact O-N 2.98Å |
| 52 | I | 69.8 | Low | 64.2 | Low | 70 Ų | 70 | 118.3 Ų | 118.3 | 36% | 0.359 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -73.1 | -45.8 | 175.7 | -59.1 | 174.3 | 0 | 0 | 0 | 111.3 | V47 R48 F49 K50 E54 Q56 | V47-I52 HydrophobicContact CB-CG1 4.38Å; V47-I52 HydrophobicContact CG2-CD1 4.28Å; V47-I52 HydrophobicContact CG2-CG1 4.48Å; R48-I52 PolarHBondContact O-N 3.48Å; F49-I52 PolarHBondContact O-N 3.13Å; K50-I52 PolarHBondContact O-N 3.31Å; I52-E54 VanDerWaalsContact C-N 3.3Å; I52-E54 PolarHBondContact O-N 2.95Å; I52-Q56 WeakPolarHBondContact O-CG 3.46Å; I52-Q56 PolarHBondContact O-N 3.03Å; I52-Q56 VanDerWaalsContact O-N 3.11Å |
| 53 | C | 68.6 | Low | 64.4 | Low | 74 Ų | 74 | 117.6 Ų | 117.6 | 50% | 0.5 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.4 | -34.9 | 177.5 | -66.4 | 0 | 0 | 0 | 0 | 112.2 | F49 K50 Q56 N57 | F49-C53 PolarHBondContact O-N 3.48Å; F49-C53 VanDerWaalsContact O-N 3.14Å; F49-C53 PolarHBondContact O-SG 2.88Å; F49-C53 VanDerWaalsContact O-SG 3.34Å; K50-C53 PolarHBondContact O-N 2.63Å; K50-C53 VanDerWaalsContact O-N 3.15Å; C53-Q56 PolarHBondContact O-N 2.91Å; C53-N57 WeakPolarHBondContact O-CB 3.18Å; C53-N57 PolarHBondContact O-N 3.04Å |
| 54 | E | 71.5 | Confident | 64.4 | Low | 112 Ų | 112 | 115.1 Ų | 115.1 | 52% | 0.523 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65 | -51.2 | 177.8 | -166 | 156 | -140.5 | 0 | 0 | 110.9 | K50 I52 Q56 N57 E58 | K50-E54 WeakPolarHBondContact O-CB 3.43Å; K50-E54 PolarHBondContact O-N 2.85Å; I52-E54 VanDerWaalsContact C-N 3.3Å; I52-E54 PolarHBondContact O-N 2.95Å; E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 3.04Å; E54-N57 WeakPolarHBondContact O-CA 3.28Å; E54-N57 WeakPolarHBondContact O-CB 3.45Å; E54-N57 PolarHBondContact O-N 3.39Å; E54-E58 PolarHBondContact O-N 3.28Å |
| 55 | A | 73 | Confident | 63.9 | Low | 49 Ų | 49 | 115.9 Ų | 115.9 | 41% | 0.405 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -61.6 | -33.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D51 N57 Q59 | D51-A55 PolarHBondContact O-N 2.98Å; A55-N57 VanDerWaalsContact C-N 3.33Å; A55-Q59 PolarHBondContact O-N 3.04Å |
| 56 | Q | 70.4 | Confident | 63.3 | Low | 126 Ų | 126 | 113.5 Ų | 113.5 | 59% | 0.589 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -71.3 | -27.4 | 172.5 | -75.4 | -174.3 | -7.9 | 0 | 0 | 112.9 | I52 C53 E54 R60 | I52-Q56 WeakPolarHBondContact O-CG 3.46Å; I52-Q56 PolarHBondContact O-N 3.03Å; I52-Q56 VanDerWaalsContact O-N 3.11Å; C53-Q56 PolarHBondContact O-N 2.91Å; E54-Q56 VanDerWaalsContact C-N 3.31Å; E54-Q56 PolarHBondContact O-N 3.04Å; Q56-R60 PolarHBondContact O-N 3.22Å |
| 57 | N | 67.1 | Low | 62.7 | Low | 63 Ų | 63 | 107.8 Ų | 107.8 | 34% | 0.337 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -75.9 | -47.1 | 175.1 | -159.8 | 73.1 | 0 | 0 | 0 | 111.3 | C53 E54 A55 Q59 R60 D61 | C53-N57 WeakPolarHBondContact O-CB 3.18Å; C53-N57 PolarHBondContact O-N 3.04Å; E54-N57 WeakPolarHBondContact O-CA 3.28Å; E54-N57 WeakPolarHBondContact O-CB 3.45Å; E54-N57 PolarHBondContact O-N 3.39Å; A55-N57 VanDerWaalsContact C-N 3.33Å; N57-Q59 PolarHBondContact O-N 3.04Å; N57-R60 PolarHBondContact O-N 3.05Å; N57-R60 PolarHBondContact OD1-NH2 3.16Å; N57-D61 PolarHBondContact ND2-OD2 2.93Å; N57-D61 PolarHBondContact O-N 2.93Å |
| 58 | E | 69.8 | Low | 62 | Low | 128 Ų | 128 | 112.3 Ų | 112.3 | 60% | 0.598 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -54.2 | -38.6 | 175.1 | -69 | -176.1 | 136.3 | 0 | 0 | 112.6 | E54 D61 T62 | E54-E58 PolarHBondContact O-N 3.28Å; E58-D61 PolarHBondContact O-N 3.13Å; E58-T62 VanDerWaalsContact O-CB 3.3Å; E58-T62 WeakPolarHBondContact O-CB 3.36Å; E58-T62 PolarHBondContact O-N 2.62Å; E58-T62 PolarHBondContact O-OG1 2.86Å |
| 59 | Q | 61.5 | Low | 60.3 | Low | 145 Ų | 145 | 113 Ų | 113 | 68% | 0.678 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -66.2 | -35.3 | 174.8 | -77.8 | -160.8 | -12.6 | 0 | 0 | 113.7 | A55 N57 Q63 | A55-Q59 PolarHBondContact O-N 3.04Å; N57-Q59 PolarHBondContact O-N 3.04Å; Q59-Q63 WeakPolarHBondContact O-CG 3.11Å; Q59-Q63 PolarHBondContact O-N 3.14Å |
| 60 | R | 60.2 | Low | 59.2 | Low | 155 Ų | 155 | 108.1 Ų | 108.1 | 59% | 0.585 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.3 | -41.7 | 175.3 | -68.2 | -172.1 | -54.9 | 160.6 | 8.3 | 111.4 | Q56 N57 T62 Q63 L64 | Q56-R60 PolarHBondContact O-N 3.22Å; N57-R60 PolarHBondContact O-N 3.05Å; N57-R60 PolarHBondContact OD1-NH2 3.16Å; R60-T62 VanDerWaalsContact C-N 3.3Å; R60-T62 PolarHBondContact O-N 2.98Å; R60-Q63 WeakPolarHBondContact O-CB 3.44Å; R60-Q63 PolarHBondContact O-N 3.19Å; R60-Q63 VanDerWaalsContact O-N 3.17Å; R60-L64 WeakPolarHBondContact O-CG 3.42Å; R60-L64 PolarHBondContact O-N 3.33Å |
| 61 | D | 56.1 | Low | 57.8 | Low | 81 Ų | 81 | 108.5 Ų | 108.5 | 43% | 0.433 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -67.4 | -34.3 | 179.2 | -64.3 | -16.7 | 0 | 0 | 0 | 111.2 | N57 E58 L64 S65 | N57-D61 PolarHBondContact ND2-OD2 2.93Å; N57-D61 PolarHBondContact O-N 2.93Å; E58-D61 PolarHBondContact O-N 3.13Å; D61-L64 PolarHBondContact O-N 3.2Å; D61-S65 VanDerWaalsContact O-CB 3.23Å; D61-S65 WeakPolarHBondContact O-CB 3.23Å; D61-S65 PolarHBondContact O-N 3.31Å |
| 62 | T | 60 | Low | 56.8 | Low | 101 Ų | 101 | 114 Ų | 114 | 62% | 0.62 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.3 | -40.3 | 171.2 | -57.6 | 0 | 0 | 0 | 0 | 112.3 | E58 R60 S66 | E58-T62 VanDerWaalsContact O-CB 3.3Å; E58-T62 WeakPolarHBondContact O-CB 3.36Å; E58-T62 PolarHBondContact O-N 2.62Å; E58-T62 PolarHBondContact O-OG1 2.86Å; R60-T62 VanDerWaalsContact C-N 3.3Å; R60-T62 PolarHBondContact O-N 2.98Å; T62-S66 PolarHBondContact O-N 3.48Å |
| 63 | Q | 54 | Low | 55.4 | Low | 141 Ų | 141 | 122.6 Ų | 122.6 | 66% | 0.659 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.5 | -47.8 | 174.3 | -69.7 | -87.2 | 9.7 | 0 | 0 | 110.9 | Q59 R60 S65 S66 | Q59-Q63 WeakPolarHBondContact O-CG 3.11Å; Q59-Q63 PolarHBondContact O-N 3.14Å; R60-Q63 WeakPolarHBondContact O-CB 3.44Å; R60-Q63 PolarHBondContact O-N 3.19Å; R60-Q63 VanDerWaalsContact O-N 3.17Å; Q63-S65 PolarHBondContact O-N 3.05Å; Q63-S66 WeakPolarHBondContact O-CB 3.42Å; Q63-S66 PolarHBondContact O-N 3.01Å; Q63-S66 PolarHBondContact O-OG 3.46Å |
| 64 | L | 51.7 | Low | 54.3 | Low | 130 Ų | 130 | 127.8 Ų | 127.8 | 68% | 0.681 | 66% | 0.664 | S | S | * | * | H | α-helix | trans | -65.2 | -39.2 | -179.6 | -68 | 169.6 | 0 | 0 | 0 | 112.3 | R60 D61 S66 G67 | R60-L64 WeakPolarHBondContact O-CG 3.42Å; R60-L64 PolarHBondContact O-N 3.33Å; D61-L64 PolarHBondContact O-N 3.2Å; L64-S66 PolarHBondContact O-N 3Å; L64-G67 PolarHBondContact O-N 2.93Å |
| 65 | S | 49.4 | Very low | 52.8 | Low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -65.8 | -15.5 | 175.9 | -172.9 | 0 | 0 | 0 | 0 | 113.8 | D61 Q63 G67 | D61-S65 VanDerWaalsContact O-CB 3.23Å; D61-S65 WeakPolarHBondContact O-CB 3.23Å; D61-S65 PolarHBondContact O-N 3.31Å; Q63-S65 PolarHBondContact O-N 3.05Å; S65-G67 VanDerWaalsContact C-N 3.32Å |
| 66 | S | 50.8 | Low | 51.4 | Low | 93 Ų | 93 | 133.2 Ų | 133.2 | 65% | 0.65 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -10.7 | 173.2 | 78 | 0 | 0 | 0 | 0 | 113.6 | T62 Q63 L64 | T62-S66 PolarHBondContact O-N 3.48Å; Q63-S66 WeakPolarHBondContact O-CB 3.42Å; Q63-S66 PolarHBondContact O-N 3.01Å; Q63-S66 PolarHBondContact O-OG 3.46Å; L64-S66 PolarHBondContact O-N 3Å |
| 67 | G | 47.1 | Very low | 50 | Low | 64 Ų | 64 | 133.4 Ų | 133.4 | 66% | 0.66 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -97.3 | 21.3 | -163.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | L64 S65 | L64-G67 PolarHBondContact O-N 2.93Å; S65-G67 VanDerWaalsContact C-N 3.32Å |
| 68 | Q | 47 | Very low | 48.6 | Very low | 185 Ų | 185 | 136.9 Ų | 136.9 | 86% | 0.864 | 73% | 0.73 | S | S | * | * | | | trans | -149 | 72.3 | -175.5 | -153.7 | 175.8 | 48.8 | 0 | 0 | 117 | | |
| 69 | L | 35.1 | Very low | 47.4 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 94% | 0.937 | 74% | 0.738 | S | S | * | * | | | trans | -159.9 | 133 | 146.6 | -166 | 63.4 | 0 | 0 | 0 | 113.9 | | |
| 70 | G | 37.2 | Very low | 46.1 | Very low | 72 Ų | 72 | 134.8 Ų | 134.8 | 74% | 0.742 | 75% | 0.745 | S | S | * | * | | | trans | 88.7 | 127.6 | 144 | 0 | 0 | 0 | 0 | 0 | 118.7 | | |
| 71 | E | 43.2 | Very low | 45.3 | Very low | 154 Ų | 154 | 138.8 Ų | 138.8 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | | | trans | -69 | 157.6 | 166.5 | -86.2 | -158.3 | 92 | 0 | 0 | 113.8 | | |
| 72 | K | 48.5 | Very low | 44.5 | Very low | 163 Ų | 163 | 139.4 Ų | 139.4 | 71% | 0.709 | 78% | 0.776 | S | S | * | * | | | trans | 55.1 | 105 | 150.3 | -68.1 | 162.6 | 179.2 | 129.7 | 0 | 117.7 | | |
| 73 | R | 42.1 | Very low | 43.7 | Very low | 251 Ų | 251 | 138.6 Ų | 138.6 | 95% | 0.947 | 78% | 0.78 | S | S | * | * | | | | -164 | 155.3 | 103.2 | -106.3 | 174.7 | -169.5 | -154.6 | 2.7 | 113.8 | | |
| 74 | E | 45.2 | Very low | 43.1 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | | | trans | -72.1 | 132.8 | 174.6 | -178.4 | -168.1 | 162.6 | 0 | 0 | 111.5 | | |
| 75 | A | 39 | Very low | 43 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | | | trans | -149.6 | 142.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | | |
| 76 | K | 43.9 | Very low | 43.1 | Very low | 178 Ų | 178 | 148.2 Ų | 148.2 | 77% | 0.774 | 79% | 0.79 | S | S | * | * | | | trans | -74.1 | 149.2 | -172.3 | -67.8 | 168.8 | -178.9 | 171.5 | 0 | 112.3 | V78 | K76-V78 PolarHBondContact O-N 2.91Å; K76-V78 VanDerWaalsContact O-N 3.16Å |
| 77 | P | 41.3 | Very low | 43 | Very low | 130 Ų | 130 | 153.2 Ų | 153.2 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | | | trans | -67.8 | 113.1 | 176.6 | 27.9 | -34.4 | 0 | 0 | 0 | 111.1 | S79 | P77-S79 PolarHBondContact O-N 3.49Š|
| 78 | V | 38.2 | Very low | 42.7 | Very low | 136 Ų | 136 | 158.3 Ų | 158.3 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | | | trans | -79 | 116.2 | 169.5 | 177.7 | 0 | 0 | 0 | 0 | 108.5 | K76 C80 | K76-V78 PolarHBondContact O-N 2.91Å; K76-V78 VanDerWaalsContact O-N 3.16Å; V78-C80 PolarHBondContact O-N 3.38Å |
| 79 | S | 45 | Very low | 43.2 | Very low | 108 Ų | 108 | 155.3 Ų | 155.3 | 76% | 0.755 | 80% | 0.799 | S | S | * | * | | | trans | -67 | 96 | 178.4 | 59 | 0 | 0 | 0 | 0 | 111.1 | P77 R81 | P77-S79 PolarHBondContact O-N 3.49Å; S79-R81 PolarHBondContact O-N 3.31Å |
| 80 | C | 32.3 | Very low | 43.9 | Very low | 122 Ų | 122 | 152 Ų | 152 | 82% | 0.824 | 79% | 0.786 | S | S | * | * | | | trans | -65 | 109.1 | 174.6 | -172.1 | 0 | 0 | 0 | 0 | 109.9 | V78 A82 | V78-C80 PolarHBondContact O-N 3.38Å; C80-A82 PolarHBondContact O-N 2.93Å |
| 81 | R | 44.6 | Very low | 44.2 | Very low | 238 Ų | 238 | 154.2 Ų | 154.2 | 90% | 0.898 | 79% | 0.788 | S | S | * | * | | | trans | -63.4 | 101.1 | 171 | -96 | -174.6 | 166.2 | -170.8 | -2.2 | 109 | S79 A83 | S79-R81 PolarHBondContact O-N 3.31Å; R81-A83 PolarHBondContact O-N 3.38Å |
| 82 | A | 38.8 | Very low | 44.4 | Very low | 95 Ų | 95 | 150.8 Ų | 150.8 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | | | trans | -57.3 | 108.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | C80 Y84 | C80-A82 PolarHBondContact O-N 2.93Å; A82-Y84 PolarHBondContact O-N 3.47Å |
| 83 | A | 42.8 | Very low | 44.4 | Very low | 84 Ų | 84 | 154.6 Ų | 154.6 | 69% | 0.694 | 80% | 0.796 | S | S | * | * | | | trans | -68 | 108.8 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | R81 R85 | R81-A83 PolarHBondContact O-N 3.38Å; A83-R85 PolarHBondContact O-N 3.07Å |
| 84 | Y | 42.8 | Very low | 44.8 | Very low | 200 Ų | 200 | 153.6 Ų | 153.6 | 78% | 0.784 | 79% | 0.792 | S | S | * | * | | | trans | -60.4 | 92.4 | -176.7 | -177.1 | -107.8 | 0 | 0 | 0 | 111.7 | A82 K86 | A82-Y84 PolarHBondContact O-N 3.47Å; Y84-K86 HydrophobicContact CD1-CD 4.39Å; Y84-K86 HydrophobicContact CD1-CG 3.57Å; Y84-K86 HydrophobicContact CE1-CD 4.26Å; Y84-K86 HydrophobicContact CE1-CG 3.48Å; Y84-K86 VanDerWaalsContact CE1-CG 3.48Å; Y84-K86 PolarHBondContact O-N 3.06Å |
| 85 | R | 49.8 | Very low | 45.2 | Very low | 217 Ų | 217 | 149.8 Ų | 149.8 | 82% | 0.819 | 79% | 0.786 | S | S | * | * | | | trans | -70.4 | 88.8 | 179.9 | -74.7 | -70 | -170.4 | -174.7 | 1.2 | 110.5 | A83 Y87 | A83-R85 PolarHBondContact O-N 3.07Å; R85-Y87 PolarHBondContact O-N 3.39Å |
| 86 | K | 51.2 | Low | 45.7 | Very low | 164 Ų | 164 | 151.2 Ų | 151.2 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | | | trans | -65.1 | 72.9 | 171.2 | -71.2 | -175.1 | 175.7 | -179.1 | 0 | 112.9 | Y84 | Y84-K86 HydrophobicContact CD1-CD 4.39Å; Y84-K86 HydrophobicContact CD1-CG 3.57Å; Y84-K86 HydrophobicContact CE1-CD 4.26Å; Y84-K86 HydrophobicContact CE1-CG 3.48Å; Y84-K86 VanDerWaalsContact CE1-CG 3.48Å; Y84-K86 PolarHBondContact O-N 3.06Å |
| 87 | Y | 47.8 | Very low | 46 | Very low | 198 Ų | 198 | 147.2 Ų | 147.2 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | | | trans | -140.2 | 60.2 | 162.1 | -70.9 | -63.9 | 0 | 0 | 0 | 111.2 | R85 T89 | R85-Y87 PolarHBondContact O-N 3.39Å; Y87-T89 PolarHBondContact O-N 3.02Å |
| 88 | M | 41.6 | Very low | 46.1 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 84% | 0.842 | 76% | 0.756 | S | S | * | * | | | trans | -73.5 | 67.5 | 163.5 | -79.4 | -80.6 | 97.4 | 0 | 0 | 110.4 | V90 | M88-V90 PolarHBondContact O-N 3.03Š|
| 89 | T | 56.6 | Low | 46.6 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 75% | 0.748 | 75% | 0.747 | S | S | * | * | | | trans | -77 | 79.4 | 165.5 | -51.1 | 0 | 0 | 0 | 0 | 107.8 | Y87 | Y87-T89 PolarHBondContact O-N 3.02Š|
| 90 | V | 50.8 | Low | 46.9 | Very low | 109 Ų | 109 | 145.4 Ų | 145.4 | 66% | 0.661 | 75% | 0.749 | S | S | * | * | | | trans | -50.3 | 128.3 | 175.6 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | M88 A92 | M88-V90 PolarHBondContact O-N 3.03Å; V90-A92 PolarHBondContact O-N 3.38Å |
| 91 | P | 43.8 | Very low | 48.1 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | | | trans | -59.3 | 101.9 | 169.4 | -22.9 | 34.3 | 0 | 0 | 0 | 108.6 | R93 | P91-R93 PolarHBondContact O-N 3.37Š|
| 92 | A | 46.9 | Very low | 48.5 | Very low | 82 Ų | 82 | 140.6 Ų | 140.6 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | | | trans | -54.3 | 128.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | V90 R94 | V90-A92 PolarHBondContact O-N 3.38Å; A92-R94 PolarHBondContact O-N 3.4Å |
| 93 | R | 47.8 | Very low | 49.2 | Very low | 244 Ų | 244 | 141.9 Ų | 141.9 | 92% | 0.921 | 73% | 0.731 | S | S | * | * | | | trans | -49.7 | 101.6 | -176.5 | -73.1 | 179.1 | 174.5 | -109.8 | -2.6 | 109.7 | P91 S95 | P91-R93 PolarHBondContact O-N 3.37Å; R93-S95 PolarHBondContact O-N 2.97Å |
| 94 | R | 51.1 | Low | 49.3 | Very low | 230 Ų | 230 | 141 Ų | 141 | 87% | 0.868 | 73% | 0.731 | S | S | * | * | | | trans | -76.5 | 80.1 | 175.6 | -66.4 | -169.2 | -176.6 | -145.5 | 1.7 | 108.2 | A92 I96 | A92-R94 PolarHBondContact O-N 3.4Å; R94-I96 WeakPolarHBondContact O-CG1 3.41Å; R94-I96 PolarHBondContact O-N 3.05Å |
| 95 | S | 52.5 | Low | 49.5 | Very low | 103 Ų | 103 | 137.3 Ų | 137.3 | 72% | 0.72 | 73% | 0.729 | S | S | * | * | | | trans | -53.2 | 107.2 | 161.4 | 50.6 | 0 | 0 | 0 | 0 | 107.6 | R93 P97 | R93-S95 PolarHBondContact O-N 2.97Å; S95-P97 WeakPolarHBondContact O-CD 3.37Å; S95-P97 WeakPolarHBondContact O-CG 3.41Å; S95-P97 VanDerWaalsContact O-N 3.14Å |
| 96 | I | 49.9 | Very low | 49.5 | Very low | 126 Ų | 126 | 136.3 Ų | 136.3 | 65% | 0.646 | 73% | 0.734 | S | S | * | * | | | trans | -71.8 | 106.2 | -169.1 | -52.7 | 178.3 | 0 | 0 | 0 | 108.1 | R94 N98 V99 | R94-I96 WeakPolarHBondContact O-CG1 3.41Å; R94-I96 PolarHBondContact O-N 3.05Å; I96-N98 PolarHBondContact O-N 3.07Å; I96-V99 HydrophobicContact CB-CG2 4.39Å; I96-V99 HydrophobicContact CG2-CG2 3.64Å |
| 97 | P | 49.6 | Very low | 49.4 | Very low | 94 Ų | 94 | 133.6 Ų | 133.6 | 61% | 0.61 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -4.3 | -159.3 | -19 | 33.3 | 0 | 0 | 0 | 115.8 | S95 | S95-P97 WeakPolarHBondContact O-CD 3.37Å; S95-P97 WeakPolarHBondContact O-CG 3.41Å; S95-P97 VanDerWaalsContact O-N 3.14Å |
| 98 | N | 44.7 | Very low | 49.3 | Very low | 99 Ų | 99 | 126.8 Ų | 126.8 | 53% | 0.529 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -132.9 | -6.8 | -161.2 | -69 | -35.6 | 0 | 0 | 0 | 115.5 | I96 T100 K101 | I96-N98 PolarHBondContact O-N 3.07Å; N98-T100 PolarHBondContact O-N 3.12Å; N98-K101 PolarHBondContact O-N 3.43Å |
| 99 | V | 47.4 | Very low | 50 | Low | 104 Ų | 104 | 124.2 Ų | 124.2 | 63% | 0.63 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -24.1 | 178.7 | 169.5 | 0 | 0 | 0 | 0 | 111.9 | I96 K101 | I96-V99 HydrophobicContact CB-CG2 4.39Å; I96-V99 HydrophobicContact CG2-CG2 3.64Å; V99-K101 VanDerWaalsContact C-N 3.26Å; V99-K101 PolarHBondContact O-N 3.12Å |
| 100 | T | 51.3 | Low | 49.8 | Very low | 132 Ų | 132 | 122.2 Ų | 122.2 | 81% | 0.81 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 11.1 | 175.6 | 49.5 | 0 | 0 | 0 | 0 | 114.7 | N98 | N98-T100 PolarHBondContact O-N 3.12Š|
| 101 | K | 59.3 | Low | 49.9 | Very low | 161 Ų | 161 | 121.9 Ų | 121.9 | 70% | 0.7 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -124.8 | -17.9 | -173.3 | -68.5 | -178.1 | -178.6 | 167.8 | 0 | 116.5 | N98 V99 | N98-K101 PolarHBondContact O-N 3.43Å; V99-K101 VanDerWaalsContact C-N 3.26Å; V99-K101 PolarHBondContact O-N 3.12Å |
| 102 | S | 51.5 | Low | 50.7 | Low | 98 Ų | 98 | 123.8 Ų | 123.8 | 69% | 0.685 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -107.7 | -6.6 | -167.3 | 56.7 | 0 | 0 | 0 | 0 | 115.7 | | |
| 103 | T | 53.9 | Low | 51.2 | Low | 122 Ų | 122 | 128.5 Ų | 128.5 | 75% | 0.748 | 69% | 0.688 | S | S | * | * | | | trans | -134.7 | 45.2 | -178.1 | -35.1 | 0 | 0 | 0 | 0 | 111.2 | V105 | T103-V105 PolarHBondContact O-N 3.17Š|
| 104 | G | 44.7 | Very low | 51.3 | Low | 67 Ų | 67 | 121.2 Ų | 121.2 | 69% | 0.691 | 67% | 0.673 | S | S | * | * | | | trans | -73 | 116.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q106 | G104-Q106 PolarHBondContact O-N 2.94Š|
| 105 | V | 47.5 | Very low | 51.2 | Low | 121 Ų | 121 | 117.1 Ų | 117.1 | 73% | 0.733 | 66% | 0.659 | S | S | * | * | | | trans | -60.8 | 120.4 | 166.9 | 175.2 | 0 | 0 | 0 | 0 | 107.2 | T103 T107 | T103-V105 PolarHBondContact O-N 3.17Å; V105-T107 HydrophobicContact CG1-CG2 3.93Å; V105-T107 PolarHBondContact O-N 2.86Å |
| 106 | Q | 49.7 | Very low | 51 | Low | 197 Ų | 197 | 120.8 Ų | 120.8 | 92% | 0.921 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | 55.2 | -159.5 | -164.4 | 178.6 | -18 | 0 | 0 | 112.5 | G104 | G104-Q106 PolarHBondContact O-N 2.94Š|
| 107 | T | 49.7 | Very low | 51 | Low | 107 Ų | 107 | 120 Ų | 120 | 66% | 0.656 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | -13.8 | -171.3 | 49.5 | 0 | 0 | 0 | 0 | 115.4 | V105 | V105-T107 HydrophobicContact CG1-CG2 3.93Å; V105-T107 PolarHBondContact O-N 2.86Å |
| 108 | S | 45.6 | Very low | 50.5 | Low | 55 Ų | 55 | 123.8 Ų | 123.8 | 39% | 0.385 | 67% | 0.673 | S | S | . | * | S | Bend | trans | -129.3 | 144 | -174.8 | -51.9 | 0 | 0 | 0 | 0 | 112.5 | D423 | S108-D423 WeakPolarHBondContact CB-OD2 3.43Å; S108-D423 PolarHBondContact OG-OD2 3.4Å |
| 109 | P | 55.4 | Low | 50.4 | Low | 117 Ų | 117 | 125.2 Ų | 125.2 | 76% | 0.76 | 69% | 0.688 | S | S | * | * | | | trans | -66 | 165.4 | -178.4 | -22.8 | 34.9 | 0 | 0 | 0 | 115.5 | L111 | P109-L111 PolarHBondContact O-N 3.29Š|
| 110 | D | 51.7 | Low | 50.5 | Low | 80 Ų | 80 | 128.9 Ų | 128.9 | 43% | 0.428 | 70% | 0.703 | S | S | . | * | | | trans | -55.5 | 102.8 | -177.1 | -173.8 | 5.4 | 0 | 0 | 0 | 113.1 | K112 K113 | D110-K112 PolarHBondContact O-N 2.71Å; D110-K112 VanDerWaalsContact OD1-CG 3.28Å; D110-K112 WeakPolarHBondContact OD1-CG 3.42Å; D110-K112 PolarHBondContact OD1-N 2.72Å; D110-K112 IonicContact OD1-NZ 2.86Å; D110-K112 PolarHBondContact OD1-NZ 3.27Å; D110-K112 IonicContact OD2-NZ 2.63Å; D110-K112 PolarHBondContact OD2-NZ 3.33Å; D110-K113 PolarHBondContact O-N 2.74Å |
| 111 | L | 54.8 | Low | 50.3 | Low | 102 Ų | 102 | 127.7 Ų | 127.7 | 53% | 0.534 | 69% | 0.691 | S | S | . | * | G | 310 helix | trans | -52.6 | -21 | -177.3 | -68.9 | 171.5 | 0 | 0 | 0 | 114.4 | P109 K113 C114 | P109-L111 PolarHBondContact O-N 3.29Å; L111-K113 PolarHBondContact O-N 3.24Å; L111-K113 VanDerWaalsContact O-N 3.16Å; L111-C114 PolarHBondContact O-N 2.91Å |
| 112 | K | 59.5 | Low | 50.1 | Low | 159 Ų | 159 | 131.6 Ų | 131.6 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | G | 310 helix | trans | -56.9 | -26.9 | 174.6 | -65.5 | 177.3 | -148.3 | 119.4 | 0 | 113.5 | D110 | D110-K112 PolarHBondContact O-N 2.71Å; D110-K112 VanDerWaalsContact OD1-CG 3.28Å; D110-K112 WeakPolarHBondContact OD1-CG 3.42Å; D110-K112 PolarHBondContact OD1-N 2.72Å; D110-K112 IonicContact OD1-NZ 2.86Å; D110-K112 PolarHBondContact OD1-NZ 3.27Å; D110-K112 IonicContact OD2-NZ 2.63Å; D110-K112 PolarHBondContact OD2-NZ 3.33Å |
| 113 | K | 57.7 | Low | 50 | Low | 181 Ų | 181 | 135.2 Ų | 135.2 | 79% | 0.787 | 71% | 0.705 | S | S | * | * | G | 310 helix | trans | -82.4 | -19.9 | -177.5 | -64.9 | -172 | 178.7 | -176.8 | 0 | 113.8 | D110 L111 | D110-K113 PolarHBondContact O-N 2.74Å; L111-K113 PolarHBondContact O-N 3.24Å; L111-K113 VanDerWaalsContact O-N 3.16Å |
| 114 | C | 50.3 | Low | 49.6 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 61% | 0.608 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -11.6 | -173.2 | -59.7 | 0 | 0 | 0 | 0 | 114.3 | L111 | L111-C114 PolarHBondContact O-N 2.91Š|
| 115 | Y | 47.4 | Very low | 49.4 | Very low | 144 Ų | 144 | 139.2 Ų | 139.2 | 57% | 0.565 | 71% | 0.714 | S | S | * | * | | | trans | -134.6 | 55.8 | -171.4 | -65.3 | -74.2 | 0 | 0 | 0 | 113.7 | T117 | Y115-T117 VanDerWaalsContact C-N 3.29Å; Y115-T117 PolarHBondContact O-N 2.81Å |
| 116 | Q | 49.6 | Very low | 48.8 | Very low | 181 Ų | 181 | 140.8 Ų | 140.8 | 85% | 0.846 | 72% | 0.719 | S | S | * | * | | | trans | -90.4 | 34.6 | 176.1 | -160.3 | 167.5 | -9.8 | 0 | 0 | 113.5 | | |
| 117 | T | 48.7 | Very low | 48.6 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 66% | 0.663 | 71% | 0.713 | S | S | * | * | | | trans | -134.7 | 33.3 | -169.5 | 46.8 | 0 | 0 | 0 | 0 | 115.5 | Y115 | Y115-T117 VanDerWaalsContact C-N 3.29Å; Y115-T117 PolarHBondContact O-N 2.81Å |
| 118 | F | 40.1 | Very low | 48.1 | Very low | 175 Ų | 175 | 143 Ų | 143 | 77% | 0.768 | 72% | 0.722 | S | S | * | * | | | trans | -128.6 | 105 | 166.3 | -72.8 | -69.2 | 0 | 0 | 0 | 112.4 | L120 | F118-L120 PolarHBondContact O-N 3.15Å; F118-L120 VanDerWaalsContact O-N 3.14Å |
| 119 | P | 43.5 | Very low | 47.4 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 83% | 0.831 | 74% | 0.742 | S | S | * | * | | | trans | -67.5 | 107.5 | 177.2 | -22.3 | 34.6 | 0 | 0 | 0 | 112.9 | D121 | P119-D121 PolarHBondContact O-N 3.37Š|
| 120 | L | 48.4 | Very low | 46.5 | Very low | 182 Ų | 182 | 148.4 Ų | 148.4 | 95% | 0.953 | 75% | 0.749 | S | S | * | * | | | trans | -79.5 | 49 | 171.1 | -83.1 | 168.3 | 0 | 0 | 0 | 112.6 | F118 | F118-L120 PolarHBondContact O-N 3.15Å; F118-L120 VanDerWaalsContact O-N 3.14Å |
| 121 | D | 47.6 | Very low | 45.9 | Very low | 106 Ų | 106 | 150.7 Ų | 150.7 | 57% | 0.567 | 77% | 0.768 | S | S | * | * | | | trans | -101.2 | 83.1 | 170.8 | -166.5 | 10.1 | 0 | 0 | 0 | 112.3 | P119 K123 | P119-D121 PolarHBondContact O-N 3.37Å; D121-K123 WeakPolarHBondContact OD1-CA 3.23Å; D121-K123 WeakPolarHBondContact OD1-CG 3.13Å; D121-K123 PolarHBondContact OD1-N 3.48Å; D121-K123 WeakPolarHBondContact OD2-CE 3.22Å |
| 122 | R | 55.5 | Low | 44.8 | Very low | 243 Ų | 243 | 151 Ų | 151 | 92% | 0.917 | 79% | 0.785 | S | S | * | * | | | trans | -97.5 | 83.1 | 154.5 | -71.1 | -173.6 | 68.3 | 121 | -0.2 | 108.3 | K124 | R122-K124 PolarHBondContact O-N 2.89Š|
| 123 | K | 47.7 | Very low | 43.5 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 76% | 0.757 | 79% | 0.791 | S | S | * | * | | | trans | -42.5 | 108.1 | 179.5 | -77.3 | -167.7 | 174.9 | 170.1 | 0 | 112.1 | D121 G125 | D121-K123 WeakPolarHBondContact OD1-CA 3.23Å; D121-K123 WeakPolarHBondContact OD1-CG 3.13Å; D121-K123 PolarHBondContact OD1-N 3.48Å; D121-K123 WeakPolarHBondContact OD2-CE 3.22Å; K123-G125 PolarHBondContact O-N 3.22Å; K123-G125 VanDerWaalsContact O-N 3.17Å |
| 124 | K | 46.8 | Very low | 42.2 | Very low | 199 Ų | 199 | 146.9 Ų | 146.9 | 87% | 0.865 | 79% | 0.793 | S | S | * | * | | | trans | -67.3 | 109.3 | 172.3 | -178.7 | 179.8 | 179.1 | -178.8 | 0 | 108.2 | R122 N126 | R122-K124 PolarHBondContact O-N 2.89Å; K124-N126 PolarHBondContact O-N 2.92Å; K124-N126 VanDerWaalsContact O-N 3.12Å |
| 125 | G | 40.8 | Very low | 41.7 | Very low | 74 Ų | 74 | 147.2 Ų | 147.2 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | | | trans | -54.7 | 116.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | K123 | K123-G125 PolarHBondContact O-N 3.22Å; K123-G125 VanDerWaalsContact O-N 3.17Å |
| 126 | N | 33.7 | Very low | 40.8 | Very low | 155 Ų | 155 | 149.8 Ų | 149.8 | 83% | 0.829 | 81% | 0.811 | S | S | * | * | | | trans | -97.2 | 109.6 | 180 | -171.3 | 10.7 | 0 | 0 | 0 | 110 | K124 | K124-N126 PolarHBondContact O-N 2.92Å; K124-N126 VanDerWaalsContact O-N 3.12Å |
| 127 | L | 46.3 | Very low | 40.1 | Very low | 155 Ų | 155 | 150.1 Ų | 150.1 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | | | trans | -85.4 | 107.4 | 175.1 | -72.7 | 167.4 | 0 | 0 | 0 | 110.3 | | |
| 128 | K | 38.1 | Very low | 39.2 | Very low | 194 Ų | 194 | 149.2 Ų | 149.2 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | | | trans | -178.4 | 160.9 | 142.6 | -99.8 | 147.3 | -166.3 | 179.6 | 0 | 114.4 | | |
| 129 | S | 31.7 | Very low | 39 | Very low | 115 Ų | 115 | 149.4 Ų | 149.4 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | | | trans | 56.3 | 102.7 | 165.4 | 53.9 | 0 | 0 | 0 | 0 | 118.9 | | |
| 130 | L | 35.8 | Very low | 38.4 | Very low | 172 Ų | 172 | 150.1 Ų | 150.1 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | | | trans | -89.9 | 141.1 | 146.7 | -64.4 | 168.8 | 0 | 0 | 0 | 109 | | |
| 131 | P | 39.5 | Very low | 37.7 | Very low | 127 Ų | 127 | 148.6 Ų | 148.6 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | | | trans | -83.5 | 163.6 | 153.1 | 35.1 | -31.1 | 0 | 0 | 0 | 110.6 | | |
| 132 | A | 31.3 | Very low | 37 | Very low | 109 Ų | 109 | 146.8 Ų | 146.8 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | | | trans | -105 | 127.2 | -170 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 133 | A | 33.8 | Very low | 35.8 | Very low | 98 Ų | 98 | 144.3 Ų | 144.3 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | | | trans | -174.2 | 147.4 | 154.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | | |
| 134 | D | 29.2 | Very low | 34.9 | Very low | 156 Ų | 156 | 142.5 Ų | 142.5 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | | | cis | -143.2 | 172.7 | -2.4 | -151.3 | -22.9 | 0 | 0 | 0 | 109.7 | | |
| 135 | S | 39.7 | Very low | 34.3 | Very low | 96 Ų | 96 | 140.3 Ų | 140.3 | 67% | 0.671 | 80% | 0.796 | S | S | * | * | | | trans | -95.5 | 142.5 | -179 | -59.8 | 0 | 0 | 0 | 0 | 112.8 | | |
| 136 | F | 29.8 | Very low | 33.8 | Very low | 199 Ų | 199 | 142.8 Ų | 142.8 | 87% | 0.873 | 79% | 0.792 | S | S | * | * | | | trans | -173.2 | 160.9 | 134.4 | -101.6 | -62.4 | 0 | 0 | 0 | 114.1 | | |
| 137 | K | 34.3 | Very low | 33.8 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 82% | 0.817 | 78% | 0.779 | S | S | * | * | | | trans | -32.9 | 156.9 | 176.2 | -65.9 | 168.4 | 175.2 | 177.6 | 0 | 116.3 | | |
| 138 | S | 30.5 | Very low | 33.1 | Very low | 89 Ų | 89 | 139.8 Ų | 139.8 | 62% | 0.622 | 78% | 0.777 | S | S | * | * | | | | -171.7 | 158.1 | 50.1 | -165.5 | 0 | 0 | 0 | 0 | 114 | | |
| 139 | Q | 34.6 | Very low | 32.9 | Very low | 178 Ų | 178 | 136 Ų | 136 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | 43.1 | 119.8 | 156.7 | -70.7 | 154.2 | -31.9 | 0 | 0 | 119.3 | | |
| 140 | N | 31.3 | Very low | 33 | Very low | 144 Ų | 144 | 138 Ų | 138 | 77% | 0.77 | 76% | 0.757 | S | S | * | * | | | cis | 88.5 | 145 | 32.7 | -158.2 | 22.7 | 0 | 0 | 0 | 115.8 | | |
| 141 | N | 33.6 | Very low | 32.7 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | | | trans | 74.4 | 129.2 | -167.7 | -45.7 | -30.7 | 0 | 0 | 0 | 112.6 | | |
| 142 | G | 33.9 | Very low | 32.4 | Very low | 69 Ų | 69 | 138.1 Ų | 138.1 | 71% | 0.711 | 75% | 0.746 | S | S | * | * | | | cis | 106.6 | 134.2 | 17.4 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 143 | F | 29.3 | Very low | 32.4 | Very low | 191 Ų | 191 | 137 Ų | 137 | 84% | 0.838 | 74% | 0.737 | S | S | * | * | | | cis | -139.5 | 147.8 | 15.1 | -96.4 | -117.8 | 0 | 0 | 0 | 108 | | |
| 144 | L | 29.9 | Very low | 32.1 | Very low | 135 Ų | 135 | 135.6 Ų | 135.6 | 71% | 0.707 | 73% | 0.732 | S | S | * | * | | | | 86.4 | 110.5 | 59.9 | -170.7 | 76.4 | 0 | 0 | 0 | 115.1 | | |
| 145 | M | 33.2 | Very low | 32.8 | Very low | 153 Ų | 153 | 134 Ų | 134 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | | | trans | 63.6 | 160.5 | 154.9 | -63.6 | -88.4 | 84.9 | 0 | 0 | 119.3 | | |
| 146 | D | 29.8 | Very low | 32.3 | Very low | 127 Ų | 127 | 136.8 Ų | 136.8 | 68% | 0.679 | 73% | 0.734 | S | S | * | * | | | cis | -168.3 | 176.1 | -33.2 | -164.3 | -120.4 | 0 | 0 | 0 | 110.2 | | |
| 147 | A | 34.6 | Very low | 32.3 | Very low | 67 Ų | 67 | 135.4 Ų | 135.4 | 55% | 0.554 | 73% | 0.73 | S | S | * | * | | | trans | 74.7 | 138.8 | 148.1 | 0 | 0 | 0 | 0 | 0 | 122.2 | | |
| 148 | K | 32 | Very low | 32.3 | Very low | 180 Ų | 180 | 130.7 Ų | 130.7 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | | | trans | 67.2 | 148.6 | 144.4 | -79.8 | 169.2 | 160 | -80 | 0 | 118.7 | | |
| 149 | E | 32.5 | Very low | 32.5 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 54% | 0.537 | 74% | 0.738 | S | S | . | * | | | cis | -167.7 | 168.4 | -19 | -154.7 | -176.2 | 119.4 | 0 | 0 | 108.7 | | |
| 150 | K | 34.3 | Very low | 32.6 | Very low | 155 Ų | 155 | 134.7 Ų | 134.7 | 67% | 0.674 | 74% | 0.743 | S | S | * | * | | | trans | 65.5 | 112.8 | 151.8 | -92.1 | -179.8 | 177.2 | 102.7 | 0 | 121.1 | | |
| 151 | N | 30.7 | Very low | 33.2 | Very low | 137 Ų | 137 | 133 Ų | 133 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | | | | 66.9 | 160.6 | 112.6 | -74.8 | 15.2 | 0 | 0 | 0 | 123.9 | | |
| 152 | E | 31.7 | Very low | 33 | Very low | 166 Ų | 166 | 132.1 Ų | 132.1 | 78% | 0.776 | 74% | 0.744 | S | S | * | * | | | trans | 76.1 | 110.1 | 161.9 | -66.7 | -59.5 | 80.7 | 0 | 0 | 120.7 | | |
| 153 | A | 31.5 | Very low | 32.9 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 70% | 0.702 | 75% | 0.749 | S | S | * | * | | | | 50 | 121 | 123.6 | 0 | 0 | 0 | 0 | 0 | 121.5 | | |
| 154 | G | 29 | Very low | 33.1 | Very low | 68 Ų | 68 | 129 Ų | 129 | 70% | 0.701 | 76% | 0.755 | S | S | * | * | | | trans | -78.5 | -178.1 | 140.2 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 155 | P | 43.6 | Very low | 33.2 | Very low | 124 Ų | 124 | 126.3 Ų | 126.3 | 81% | 0.805 | 76% | 0.759 | S | S | * | * | | | | -150.5 | -158.5 | 54.1 | 41.9 | -20.9 | 0 | 0 | 0 | 115.1 | | |
| 156 | M | 29.2 | Very low | 33.3 | Very low | 153 Ų | 153 | 128.7 Ų | 128.7 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | | | trans | 75.4 | 114.4 | 160.9 | -124.1 | 147 | -179.3 | 0 | 0 | 116 | | |
| 157 | E | 30.1 | Very low | 33.5 | Very low | 170 Ų | 170 | 128.5 Ų | 128.5 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | | | | 58.4 | 137.7 | 85.1 | -83.5 | -161.6 | 116.8 | 0 | 0 | 115.3 | | |
| 158 | A | 34.1 | Very low | 33.5 | Very low | 89 Ų | 89 | 134.5 Ų | 134.5 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | | | cis | -160.9 | 144.8 | -9.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 159 | A | 33.5 | Very low | 33.8 | Very low | 105 Ų | 105 | 134.6 Ų | 134.6 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | | | trans | -160 | 146.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | | |
| 160 | R | 37 | Very low | 33.9 | Very low | 246 Ų | 246 | 136.2 Ų | 136.2 | 93% | 0.928 | 79% | 0.791 | S | S | * | * | | | trans | -134.2 | 167.5 | 164.4 | -96.6 | -166.3 | -179.1 | -157 | 4.1 | 106.6 | | |
| 161 | P | 44.8 | Very low | 34.1 | Very low | 108 Ų | 108 | 134.5 Ų | 134.5 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | cis | -139.3 | 177.7 | 19.5 | 43.1 | -25.3 | 0 | 0 | 0 | 117.3 | | |
| 162 | C | 28.1 | Very low | 34 | Very low | 131 Ų | 131 | 132.1 Ų | 132.1 | 89% | 0.885 | 79% | 0.793 | S | S | * | * | | | trans | 59.2 | 108.9 | 151.5 | -67.5 | 0 | 0 | 0 | 0 | 121.2 | | |
| 163 | G | 31.2 | Very low | 34.1 | Very low | 80 Ų | 80 | 131.3 Ų | 131.3 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | | | trans | -161.2 | 139.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 164 | A | 34.1 | Very low | 34.1 | Very low | 116 Ų | 116 | 132.4 Ų | 132.4 | 96% | 0.959 | 79% | 0.791 | S | S | * | * | | | trans | -74.2 | 148.8 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 165 | G | 31.4 | Very low | 34.2 | Very low | 77 Ų | 77 | 137.6 Ų | 137.6 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | | | trans | -174 | 63.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 118.5 | | |
| 166 | R | 36.8 | Very low | 33.7 | Very low | 203 Ų | 203 | 139.9 Ų | 139.9 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | | | trans | 27.9 | 107.1 | 151.6 | -161.4 | -178.5 | -55.6 | -97.6 | 1.3 | 119.1 | Y168 | R166-Y168 WeakPolarHBondContact CD-OH 3.34Å; R166-Y168 HydrophobicContact CG-CE2 3.96Å |
| 167 | V | 33.7 | Very low | 33.7 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | | | trans | -70.2 | 134.9 | 167.7 | 177.3 | 0 | 0 | 0 | 0 | 111.5 | K169 | V167-K169 HydrophobicContact CG1-CG 4.17Š|
| 168 | Y | 35.3 | Very low | 33.7 | Very low | 192 Ų | 192 | 136.4 Ų | 136.4 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | | | trans | -109.1 | 129.7 | 159.9 | -74.9 | -87.3 | 0 | 0 | 0 | 109.9 | R166 | R166-Y168 WeakPolarHBondContact CD-OH 3.34Å; R166-Y168 HydrophobicContact CG-CE2 3.96Å |
| 169 | K | 38.2 | Very low | 33.7 | Very low | 182 Ų | 182 | 140 Ų | 140 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | | | trans | -103.8 | 131.1 | 174.8 | -64.7 | 176.9 | 180 | 176.5 | 0 | 108.8 | V167 | V167-K169 HydrophobicContact CG1-CG 4.17Š|
| 170 | T | 34.3 | Very low | 33.5 | Very low | 149 Ų | 149 | 141.5 Ų | 141.5 | 91% | 0.914 | 78% | 0.784 | S | S | * | * | | | trans | -108.1 | 103.5 | 168.6 | -49.8 | 0 | 0 | 0 | 0 | 108.2 | | |
| 171 | T | 36.9 | Very low | 33.2 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 74% | 0.736 | 77% | 0.773 | S | S | * | * | | | trans | -90.6 | 140.8 | -178 | -51.8 | 0 | 0 | 0 | 0 | 110.3 | | |
| 172 | A | 30.4 | Very low | 32.7 | Very low | 87 Ų | 87 | 137.9 Ų | 137.9 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | | | trans | -70.3 | 138.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 173 | L | 32.6 | Very low | 32.8 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 78% | 0.78 | 77% | 0.774 | S | S | * | * | | | trans | -86.6 | 114 | 172.1 | -80.8 | 165.3 | 0 | 0 | 0 | 110.1 | F175 | L173-F175 HydrophobicContact CB-CE2 4.26Å; L173-F175 HydrophobicContact CD1-CE2 4.42Å; L173-F175 HydrophobicContact CD2-CE2 4.37Å |
| 174 | V | 32.3 | Very low | 33.1 | Very low | 107 Ų | 107 | 137.5 Ų | 137.5 | 65% | 0.648 | 77% | 0.773 | S | S | * | * | | | trans | -103 | 121.3 | 163.3 | 179.1 | 0 | 0 | 0 | 0 | 107.1 | | |
| 175 | F | 29.9 | Very low | 33 | Very low | 178 Ų | 178 | 140 Ų | 140 | 78% | 0.781 | 77% | 0.77 | S | S | * | * | | | trans | -95.3 | 112.2 | 171 | -81.6 | -84.5 | 0 | 0 | 0 | 109.7 | L173 | L173-F175 HydrophobicContact CB-CE2 4.26Å; L173-F175 HydrophobicContact CD1-CE2 4.42Å; L173-F175 HydrophobicContact CD2-CE2 4.37Å |
| 176 | H | 33.3 | Very low | 33.3 | Very low | 172 Ų | 172 | 144.4 Ų | 144.4 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | trans | -101.2 | 139.6 | 158.1 | -67.8 | -78.1 | 0 | 0 | 0 | 108.3 | | |
| 177 | S | 30.6 | Very low | 33.6 | Very low | 121 Ų | 121 | 140 Ų | 140 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | | | trans | -138.8 | 120.3 | 169.3 | 56.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 178 | N | 29.8 | Very low | 33.5 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 68% | 0.684 | 77% | 0.774 | S | S | * | * | | | trans | -148.5 | 148.6 | 176.5 | -173.1 | 32.6 | 0 | 0 | 0 | 109.1 | | |
| 179 | E | 33 | Very low | 33.3 | Very low | 164 Ų | 164 | 136.3 Ų | 136.3 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | | | trans | 60.2 | 153.8 | 170.3 | -74.8 | 147 | -155.7 | 0 | 0 | 118.2 | | |
| 180 | H | 30.1 | Very low | 32.9 | Very low | 138 Ų | 138 | 134.7 Ų | 134.7 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | | | cis | -176.4 | 141.7 | -24.9 | 168.8 | -130.7 | 0 | 0 | 0 | 108.5 | | |
| 181 | M | 29.9 | Very low | 32.9 | Very low | 143 Ų | 143 | 134.5 Ų | 134.5 | 70% | 0.704 | 77% | 0.771 | S | S | * | * | | | trans | 163.4 | 157.7 | 133.5 | -84.1 | -92.2 | 41.7 | 0 | 0 | 113.3 | | |
| 182 | N | 34 | Very low | 32.5 | Very low | 135 Ų | 135 | 134.1 Ų | 134.1 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | | | trans | -99.5 | 149 | 179.9 | -55.6 | -78.6 | 0 | 0 | 0 | 112.2 | | |
| 183 | A | 30.1 | Very low | 32.6 | Very low | 107 Ų | 107 | 134.2 Ų | 134.2 | 88% | 0.884 | 77% | 0.773 | S | S | * | * | | | trans | -160.6 | 155.4 | 143 | 0 | 0 | 0 | 0 | 0 | 109.9 | | |
| 184 | A | 38.8 | Very low | 32.9 | Very low | 96 Ų | 96 | 135.8 Ų | 135.8 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | | | trans | -84.3 | 157.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | | |
| 185 | D | 32.3 | Very low | 32.8 | Very low | 168 Ų | 168 | 135.5 Ų | 135.5 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | | | | -154 | 160.8 | 119.6 | -129.2 | -32.5 | 0 | 0 | 0 | 111.5 | | |
| 186 | Q | 36.4 | Very low | 33.2 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | | | trans | -145.8 | 146.1 | -178 | -166.8 | -170.2 | 94.5 | 0 | 0 | 111.1 | | |
| 187 | P | 43.6 | Very low | 33.1 | Very low | 110 Ų | 110 | 134 Ų | 134 | 71% | 0.714 | 79% | 0.785 | S | S | * | * | | | trans | -139.8 | 158.8 | 131.8 | 36.2 | -23.7 | 0 | 0 | 0 | 115 | | |
| 188 | L | 32.4 | Very low | 33.2 | Very low | 170 Ų | 170 | 133.6 Ų | 133.6 | 89% | 0.89 | 78% | 0.782 | S | S | * | * | | | trans | 6.8 | 136.7 | 152.9 | -70.2 | 68.5 | 0 | 0 | 0 | 117.2 | | |
| 189 | G | 29.8 | Very low | 33.7 | Very low | 70 Ų | 70 | 133 Ų | 133 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | | | cis | 159.2 | 155.9 | 17 | 0 | 0 | 0 | 0 | 0 | 106.5 | | |
| 190 | V | 31.2 | Very low | 33.6 | Very low | 148 Ų | 148 | 133.8 Ų | 133.8 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | | | | -154.6 | 135 | 68.9 | 155.5 | 0 | 0 | 0 | 0 | 110.8 | | |
| 191 | N | 33.1 | Very low | 33.6 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | | | trans | -42.7 | 162 | 162.9 | -69.6 | -22.4 | 0 | 0 | 0 | 114.1 | | |
| 192 | C | 30 | Very low | 33.8 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 76% | 0.764 | 81% | 0.81 | S | S | * | * | | | cis | -174.1 | 171.3 | -1.8 | -106.1 | 0 | 0 | 0 | 0 | 105.9 | | |
| 193 | A | 32.1 | Very low | 33.5 | Very low | 89 Ų | 89 | 135.8 Ų | 135.8 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | | | cis | -158 | 160.9 | -13.6 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 194 | E | 37.9 | Very low | 33.5 | Very low | 181 Ų | 181 | 141.8 Ų | 141.8 | 85% | 0.846 | 82% | 0.816 | S | S | * | * | | | trans | -72.2 | 161.1 | 163.2 | -59.5 | 165.1 | 101.9 | 0 | 0 | 111.5 | | |
| 195 | S | 30.6 | Very low | 33 | Very low | 102 Ų | 102 | 140.7 Ų | 140.7 | 71% | 0.713 | 81% | 0.814 | S | S | * | * | | | trans | -166.9 | 104.2 | 137.2 | -86.3 | 0 | 0 | 0 | 0 | 111.7 | K197 | S195-K197 PolarHBondContact O-N 2.96Š|
| 196 | C | 39.3 | Very low | 32.8 | Very low | 133 Ų | 133 | 142.3 Ų | 142.3 | 90% | 0.899 | 82% | 0.816 | S | S | * | * | | | trans | -70.5 | 122.7 | 158.3 | -68.1 | 0 | 0 | 0 | 0 | 109.4 | | |
| 197 | K | 29.3 | Very low | 32.6 | Very low | 185 Ų | 185 | 139 Ų | 139 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | | | trans | -145.2 | 115.1 | 164.5 | -69.1 | -169.9 | -179.3 | 178.9 | 0 | 111.6 | S195 | S195-K197 PolarHBondContact O-N 2.96Š|
| 198 | S | 33.2 | Very low | 31.9 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 79% | 0.79 | 83% | 0.826 | S | S | * | * | | | trans | -88.3 | 161.5 | 134.7 | 63.2 | 0 | 0 | 0 | 0 | 107.5 | | |
| 199 | P | 40.2 | Very low | 32 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 75% | 0.753 | 82% | 0.822 | S | S | * | * | | | | -139.7 | -161.9 | 73.7 | 39.5 | -21.5 | 0 | 0 | 0 | 113.7 | | |
| 200 | E | 31.1 | Very low | 31.9 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 84% | 0.841 | 83% | 0.831 | S | S | * | * | | | trans | -63.9 | 148 | -172.4 | -54.6 | 150.5 | 108.7 | 0 | 0 | 115.3 | | |
| 201 | L | 31.2 | Very low | 31.7 | Very low | 173 Ų | 173 | 144.2 Ų | 144.2 | 91% | 0.906 | 83% | 0.827 | S | S | * | * | | | | -159.9 | 161.1 | 118.6 | -146.9 | 66.7 | 0 | 0 | 0 | 112.2 | | |
| 202 | L | 33.3 | Very low | 31.4 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 87% | 0.874 | 83% | 0.83 | S | S | * | * | | | trans | -80.5 | 148.5 | 179.7 | -63.9 | 159.5 | 0 | 0 | 0 | 113 | | |
| 203 | S | 27 | Very low | 31.2 | Very low | 118 Ų | 118 | 142.5 Ų | 142.5 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | | | trans | -153.5 | 141.8 | 145.7 | -169.2 | 0 | 0 | 0 | 0 | 111.4 | | |
| 204 | Y | 30.3 | Very low | 31 | Very low | 233 Ų | 233 | 149.3 Ų | 149.3 | 91% | 0.914 | 84% | 0.84 | S | S | * | * | | | trans | -74.4 | 162.5 | 166.2 | -98.9 | -121.8 | 0 | 0 | 0 | 110.5 | | |
| 205 | G | 29 | Very low | 32 | Very low | 72 Ų | 72 | 145.2 Ų | 145.2 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | | | trans | -177.3 | 37.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 206 | E | 27.4 | Very low | 32.9 | Very low | 202 Ų | 202 | 145.9 Ų | 145.9 | 94% | 0.944 | 83% | 0.831 | S | S | * | * | | | trans | 65.1 | 148.7 | 152.4 | -158 | 155.2 | -139 | 0 | 0 | 120 | | |
| 207 | A | 32.4 | Very low | 32.3 | Very low | 100 Ų | 100 | 143.8 Ų | 143.8 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | | | trans | -133 | 139.4 | 178 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 208 | A | 30.4 | Very low | 32.2 | Very low | 107 Ų | 107 | 143.4 Ų | 143.4 | 88% | 0.884 | 82% | 0.819 | S | S | * | * | | | trans | -131.7 | 120.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 209 | L | 33.5 | Very low | 32.1 | Very low | 156 Ų | 156 | 145.7 Ų | 145.7 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | | | trans | -88.2 | 144.1 | 172.2 | -71.3 | 164.2 | 0 | 0 | 0 | 110.6 | | |
| 210 | Q | 28.6 | Very low | 32.3 | Very low | 194 Ų | 194 | 145 Ų | 145 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | | | | -165.7 | 165.1 | 128.5 | -110.7 | 160.7 | 101.6 | 0 | 0 | 113.2 | | |
| 211 | N | 26 | Very low | 32.3 | Very low | 151 Ų | 151 | 141.3 Ų | 141.3 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | trans | -127.2 | 165.3 | -168 | -90.6 | -68.6 | 0 | 0 | 0 | 112.3 | | |
| 212 | S | 26.9 | Very low | 32.2 | Very low | 121 Ų | 121 | 142.8 Ų | 142.8 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | | | trans | 87.4 | 111.3 | 149 | -158.7 | 0 | 0 | 0 | 0 | 120.6 | | |
| 213 | A | 26.4 | Very low | 32.1 | Very low | 100 Ų | 100 | 142.3 Ų | 142.3 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | | | trans | -156.7 | 152.7 | 136.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 214 | R | 27.7 | Very low | 32.4 | Very low | 231 Ų | 231 | 144 Ų | 144 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | | | trans | -161.5 | 176.6 | -173.4 | -148.4 | -155.7 | 163 | 168.5 | -3 | 112.2 | | |
| 215 | P | 57.5 | Low | 32.3 | Very low | 96 Ų | 96 | 140.8 Ų | 140.8 | 62% | 0.623 | 78% | 0.783 | S | S | * | * | | | | -90 | -127.5 | -94.1 | 41.9 | -25.8 | 0 | 0 | 0 | 110 | | |
| 216 | P | 50 | Low | 32.1 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | | | cis | -81.4 | -160.8 | -5.8 | 42.7 | -40.6 | 0 | 0 | 0 | 110.6 | | |
| 217 | S | 26.8 | Very low | 32.3 | Very low | 88 Ų | 88 | 142.1 Ų | 142.1 | 62% | 0.615 | 78% | 0.78 | S | S | * | * | | | cis | -150.7 | -164.6 | -5.6 | -139.1 | 0 | 0 | 0 | 0 | 107.9 | | |
| 218 | E | 28.3 | Very low | 32.1 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 83% | 0.827 | 78% | 0.776 | S | S | * | * | | | cis | -153.8 | 175.8 | 4.8 | -151.9 | 105.6 | -99.5 | 0 | 0 | 108.9 | | |
| 219 | E | 30.6 | Very low | 32.3 | Very low | 162 Ų | 162 | 144.7 Ų | 144.7 | 76% | 0.757 | 77% | 0.77 | S | S | * | * | | | trans | -149.2 | 160 | 176.1 | -165.9 | 174 | 173.4 | 0 | 0 | 111.2 | | |
| 220 | P | 43.5 | Very low | 32.3 | Very low | 100 Ų | 100 | 144 Ų | 144 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | | | | -143.9 | 155.8 | 127.7 | 37.1 | -23.1 | 0 | 0 | 0 | 116.9 | | |
| 221 | D | 30.4 | Very low | 32.3 | Very low | 104 Ų | 104 | 140.7 Ų | 140.7 | 56% | 0.556 | 75% | 0.751 | S | S | * | * | | | trans | -121.3 | 148.5 | -178 | 167 | 43.4 | 0 | 0 | 0 | 111.7 | | |
| 222 | Y | 30.5 | Very low | 32.4 | Very low | 204 Ų | 204 | 143 Ų | 143 | 80% | 0.8 | 75% | 0.748 | S | S | * | * | | | trans | -147.7 | 139.2 | 171.8 | -50.4 | -68.6 | 0 | 0 | 0 | 113.4 | | |
| 223 | Q | 31.6 | Very low | 32.4 | Very low | 156 Ų | 156 | 143.2 Ų | 143.2 | 73% | 0.729 | 74% | 0.74 | S | S | * | * | | | trans | -122.8 | 167.2 | -178.2 | -56.8 | 171.2 | 22 | 0 | 0 | 112.1 | | |
| 224 | L | 31.4 | Very low | 32.6 | Very low | 154 Ų | 154 | 147.7 Ų | 147.7 | 81% | 0.806 | 74% | 0.735 | S | S | * | * | | | trans | 144.7 | 116.7 | 132.2 | -79.2 | 147.9 | 0 | 0 | 0 | 117.3 | | |
| 225 | L | 28.1 | Very low | 33.4 | Very low | 165 Ų | 165 | 142.4 Ų | 142.4 | 86% | 0.864 | 73% | 0.731 | S | S | * | * | | | | 56.5 | 134.3 | 120.4 | -159.3 | 72.7 | 0 | 0 | 0 | 123.4 | | |
| 226 | G | 25.8 | Very low | 32 | Very low | 73 Ų | 73 | 143.5 Ų | 143.5 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | | | trans | -159.2 | 148.6 | 158.7 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 227 | R | 31.3 | Very low | 31 | Very low | 229 Ų | 229 | 142.8 Ų | 142.8 | 86% | 0.864 | 73% | 0.729 | S | S | * | * | | | trans | -160.5 | 131.8 | -168.7 | -171.1 | -131.9 | -108.2 | -83.7 | 7.5 | 116.5 | | |
| 228 | A | 29.1 | Very low | 31.2 | Very low | 90 Ų | 90 | 146.2 Ų | 146.2 | 74% | 0.744 | 74% | 0.736 | S | S | * | * | | | trans | -162.4 | 150.4 | 157.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 229 | K | 34.6 | Very low | 31.4 | Very low | 171 Ų | 171 | 146 Ų | 146 | 74% | 0.743 | 74% | 0.735 | S | S | * | * | | | cis | 76.2 | 139.3 | 34.9 | -72.8 | -157.7 | 170.4 | -164 | 0 | 114 | | |
| 230 | Q | 33.6 | Very low | 31.9 | Very low | 141 Ų | 141 | 143.6 Ų | 143.6 | 66% | 0.659 | 73% | 0.733 | S | S | * | * | | | cis | -162.3 | 159.6 | 13.3 | -143.3 | 178.4 | -61.2 | 0 | 0 | 113.7 | | |
| 231 | D | 27.8 | Very low | 31.2 | Very low | 125 Ų | 125 | 143 Ų | 143 | 67% | 0.668 | 74% | 0.737 | S | S | * | * | | | trans | 49.7 | 162 | 143.5 | -86.3 | -38.7 | 0 | 0 | 0 | 122.5 | | |
| 232 | R | 29 | Very low | 32 | Very low | 199 Ų | 199 | 143.9 Ų | 143.9 | 75% | 0.751 | 75% | 0.748 | S | S | * | * | | | cis | -159.5 | 173.4 | 5.8 | -141.2 | 175.4 | 125.9 | 140.7 | -0.2 | 114.5 | | |
| 233 | D | 25.7 | Very low | 33 | Very low | 127 Ų | 127 | 139.6 Ų | 139.6 | 68% | 0.679 | 75% | 0.745 | S | S | * | * | | | trans | 96 | 140.4 | 141.5 | -76 | -41.9 | 0 | 0 | 0 | 124.7 | | |
| 234 | R | 31.9 | Very low | 33 | Very low | 193 Ų | 193 | 136.3 Ų | 136.3 | 73% | 0.728 | 75% | 0.745 | S | S | * | * | | | trans | -157.4 | 133.5 | 176.3 | -179.3 | -151.2 | 110.4 | -141 | 6.5 | 109.9 | N236 | R234-N236 PolarHBondContact NH2-OD1 3.02Š|
| 235 | P | 43.8 | Very low | 33.1 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | | | trans | -142.8 | 179.9 | 138.5 | 34.6 | -18.5 | 0 | 0 | 0 | 112.6 | | |
| 236 | N | 27.4 | Very low | 33 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 64% | 0.636 | 74% | 0.737 | S | S | * | * | | | cis | -166.3 | -176.7 | -46.9 | -162.8 | 47.4 | 0 | 0 | 0 | 108.2 | R234 | R234-N236 PolarHBondContact NH2-OD1 3.02Š|
| 237 | S | 28.9 | Very low | 33.5 | Very low | 100 Ų | 100 | 139.9 Ų | 139.9 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | | | trans | 95.6 | 149.8 | 172.7 | -171.8 | 0 | 0 | 0 | 0 | 116.3 | | |
| 238 | E | 31 | Very low | 33.5 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 75% | 0.748 | 74% | 0.738 | S | S | * | * | | | cis | -171 | 116.9 | -32.6 | -160 | 150.1 | 102.4 | 0 | 0 | 110.8 | | |
| 239 | E | 32.8 | Very low | 33.6 | Very low | 173 Ų | 173 | 139.5 Ų | 139.5 | 81% | 0.808 | 74% | 0.742 | S | S | * | * | | | trans | 69.4 | -172.5 | 138.1 | -129.1 | -166.6 | 80.7 | 0 | 0 | 122.7 | | |
| 240 | P | 41.1 | Very low | 33.5 | Very low | 112 Ų | 112 | 141.1 Ų | 141.1 | 73% | 0.727 | 75% | 0.749 | S | S | * | * | | | | -101.7 | -175.7 | -99.1 | 38.3 | -32.9 | 0 | 0 | 0 | 119.6 | | |
| 241 | A | 29.3 | Very low | 33.5 | Very low | 88 Ų | 88 | 139.8 Ų | 139.8 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | -94.2 | -160.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 242 | P | 48.3 | Very low | 33.8 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | | | cis | -133 | -119.7 | 3.3 | 30.2 | -1.8 | 0 | 0 | 0 | 117.2 | | |
| 243 | P | 51.7 | Low | 33.9 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 74% | 0.74 | 76% | 0.762 | S | S | * | * | | | | -129.2 | -173.9 | -99.9 | 39 | -20.7 | 0 | 0 | 0 | 118.9 | | |
| 244 | A | 29.7 | Very low | 34.1 | Very low | 88 Ų | 88 | 137.5 Ų | 137.5 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | 116.7 | 162.1 | 133.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | | |
| 245 | L | 33.8 | Very low | 33.9 | Very low | 174 Ų | 174 | 134.6 Ų | 134.6 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | | | trans | 74 | 143.3 | 173.3 | -64.5 | 164.3 | 0 | 0 | 0 | 118.9 | | |
| 246 | G | 27 | Very low | 33.6 | Very low | 58 Ų | 58 | 135.3 Ų | 135.3 | 60% | 0.598 | 77% | 0.769 | S | S | * | * | | | cis | 140.4 | 96.7 | -15.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 247 | R | 35.8 | Very low | 33.7 | Very low | 235 Ų | 235 | 140.2 Ų | 140.2 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | | | trans | 178.7 | 133.4 | 157.3 | -104.4 | 160.6 | -112.2 | -110.5 | 2.5 | 108.7 | | |
| 248 | V | 31.2 | Very low | 33.9 | Very low | 122 Ų | 122 | 139.3 Ų | 139.3 | 74% | 0.739 | 78% | 0.778 | S | S | * | * | | | cis | 102.1 | 98 | 24.6 | 176.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 249 | F | 31.8 | Very low | 34.5 | Very low | 189 Ų | 189 | 137.3 Ų | 137.3 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | | | trans | 23.8 | 141.2 | 158.7 | -56.1 | -72.6 | 0 | 0 | 0 | 123.6 | | |
| 250 | K | 32.3 | Very low | 34.3 | Very low | 205 Ų | 205 | 133.4 Ų | 133.4 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | | | | -150.6 | 151.7 | 111.8 | -125 | -173.1 | 179.4 | -165.5 | 0 | 113.1 | | |
| 251 | T | 33.9 | Very low | 33.8 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | | | trans | -122.9 | 145.5 | -178.9 | -56.5 | 0 | 0 | 0 | 0 | 109.2 | | |
| 252 | E | 33.1 | Very low | 33.7 | Very low | 191 Ų | 191 | 137.6 Ų | 137.6 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | | | trans | -142.7 | 163.5 | 158 | -155.3 | 162.1 | 115.2 | 0 | 0 | 110.3 | | |
| 253 | V | 31.4 | Very low | 32.8 | Very low | 129 Ų | 129 | 136.3 Ų | 136.3 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | | | trans | -113.6 | 158.1 | -155.8 | 172.9 | 0 | 0 | 0 | 0 | 112.5 | | |
| 254 | A | 30.4 | Very low | 31.8 | Very low | 83 Ų | 83 | 142.1 Ų | 142.1 | 69% | 0.686 | 80% | 0.796 | S | S | * | * | | | trans | -60.4 | 159.4 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 255 | T | 28.1 | Very low | 31.7 | Very low | 133 Ų | 133 | 141.7 Ų | 141.7 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | | | trans | -151.4 | 141.2 | 138.5 | -1.6 | 0 | 0 | 0 | 0 | 110 | | |
| 256 | V | 37.3 | Very low | 32 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | | | trans | -116.9 | 118.8 | 174.7 | 173.5 | 0 | 0 | 0 | 0 | 108 | | |
| 257 | Y | 28.8 | Very low | 32.3 | Very low | 222 Ų | 222 | 144.6 Ų | 144.6 | 87% | 0.871 | 80% | 0.796 | S | S | * | * | | | trans | -146.4 | 137.2 | 168.4 | -102 | -85.7 | 0 | 0 | 0 | 111.1 | | |
| 258 | A | 33 | Very low | 32.5 | Very low | 81 Ų | 81 | 139.6 Ų | 139.6 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | | | trans | -107.9 | -178.2 | 158 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 259 | P | 44.7 | Very low | 32.4 | Very low | 118 Ų | 118 | 136.4 Ų | 136.4 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | | | cis | -145.3 | 176.4 | 8.8 | 44.5 | -25.6 | 0 | 0 | 0 | 117.6 | | |
| 260 | A | 28.7 | Very low | 32.2 | Very low | 91 Ų | 91 | 135.5 Ų | 135.5 | 75% | 0.752 | 79% | 0.789 | S | S | * | * | | | trans | 62.4 | 141.7 | 137.8 | 0 | 0 | 0 | 0 | 0 | 125.6 | | |
| 261 | L | 30.2 | Very low | 32.2 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 89% | 0.885 | 78% | 0.778 | S | S | * | * | | | trans | 99 | 141 | 135.5 | -137.2 | 75.1 | 0 | 0 | 0 | 121.7 | | |
| 262 | S | 26.8 | Very low | 32.1 | Very low | 119 Ų | 119 | 131.5 Ų | 131.5 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | | | trans | 74.8 | 149.4 | 169.8 | -114 | 0 | 0 | 0 | 0 | 117.7 | | |
| 263 | A | 28.6 | Very low | 32.1 | Very low | 94 Ų | 94 | 128.1 Ų | 128.1 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | | | cis | -146.2 | 170.1 | 6.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | | |
| 264 | R | 30.7 | Very low | 32.1 | Very low | 235 Ų | 235 | 126.4 Ų | 126.4 | 89% | 0.887 | 78% | 0.777 | S | S | * | * | | | trans | -47.8 | 139.2 | -178.9 | -84.8 | -87 | -171.5 | 162.5 | -0.8 | 120.1 | | |
| 265 | A | 28.5 | Very low | 32.1 | Very low | 79 Ų | 79 | 127 Ų | 127 | 65% | 0.653 | 78% | 0.783 | S | S | * | * | | | | 63.5 | 166.1 | 121.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | | |
| 266 | P | 39.6 | Very low | 32.2 | Very low | 124 Ų | 124 | 125.4 Ų | 125.4 | 81% | 0.805 | 78% | 0.782 | S | S | * | * | | | cis | -134.4 | 169.8 | 10.3 | 42.9 | -25.6 | 0 | 0 | 0 | 119.2 | | |
| 267 | E | 34 | Very low | 31.9 | Very low | 170 Ų | 170 | 124.4 Ų | 124.4 | 79% | 0.794 | 78% | 0.782 | S | S | * | * | | | trans | -74.1 | 155 | 166.1 | -70.4 | -77 | 129.4 | 0 | 0 | 112.2 | | |
| 268 | P | 39.8 | Very low | 32.2 | Very low | 129 Ų | 129 | 121.8 Ų | 121.8 | 84% | 0.838 | 78% | 0.777 | S | S | * | * | | | | -144.8 | 173.2 | 80.9 | 38.9 | -22 | 0 | 0 | 0 | 114.8 | | |
| 269 | G | 27.8 | Very low | 31.9 | Very low | 55 Ų | 55 | 130 Ų | 130 | 57% | 0.567 | 79% | 0.791 | S | S | * | * | | | cis | 152.5 | 163.7 | -2.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 270 | L | 28.7 | Very low | 31.2 | Very low | 171 Ų | 171 | 128.4 Ų | 128.4 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | | | trans | 85.2 | 123.9 | -174.6 | -53.5 | 165.9 | 0 | 0 | 0 | 114.8 | | |
| 271 | S | 31.1 | Very low | 31.4 | Very low | 93 Ų | 93 | 132.1 Ų | 132.1 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | | | cis | 96.6 | 132.1 | 39.2 | -76.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 272 | N | 32.5 | Very low | 31.2 | Very low | 140 Ų | 140 | 129.6 Ų | 129.6 | 75% | 0.749 | 78% | 0.784 | S | S | * | * | | | cis | -158.5 | 166.7 | 5.9 | -90.5 | -22.8 | 0 | 0 | 0 | 112.2 | | |
| 273 | S | 32.6 | Very low | 31.7 | Very low | 119 Ų | 119 | 130.1 Ų | 130.1 | 83% | 0.832 | 79% | 0.785 | S | S | * | * | | | trans | 73.9 | 145.3 | 153.4 | -66.7 | 0 | 0 | 0 | 0 | 120.3 | | |
| 274 | A | 32.7 | Very low | 31.7 | Very low | 94 Ų | 94 | 130.1 Ų | 130.1 | 78% | 0.777 | 79% | 0.785 | S | S | * | * | | | cis | -167.2 | 174.5 | -12.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 275 | A | 30.5 | Very low | 31.8 | Very low | 96 Ų | 96 | 126.2 Ų | 126.2 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | | | trans | 97.5 | 95.1 | 156.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | | |
| 276 | A | 30.5 | Very low | 32.1 | Very low | 98 Ų | 98 | 129.4 Ų | 129.4 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | | | trans | 60.5 | 151.7 | 135.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | | |
| 277 | S | 30.8 | Very low | 31.6 | Very low | 116 Ų | 116 | 129 Ų | 129 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | cis | -137.6 | 163.6 | 14.6 | -72.9 | 0 | 0 | 0 | 0 | 113.7 | | |
| 278 | Q | 33.7 | Very low | 31.3 | Very low | 167 Ų | 167 | 129.1 Ų | 129.1 | 78% | 0.78 | 76% | 0.763 | S | S | * | * | | | trans | -105.7 | 140.1 | -178.5 | 171.5 | -169.9 | 16.7 | 0 | 0 | 111.3 | | |
| 279 | W | 27.1 | Very low | 30.8 | Very low | 253 Ų | 253 | 131.1 Ų | 131.1 | 96% | 0.958 | 75% | 0.754 | S | S | * | * | | | trans | -139.9 | 146.1 | 158.3 | -81.3 | 89.6 | 0 | 0 | 0 | 109.7 | | |
| 280 | S | 31.4 | Very low | 31 | Very low | 85 Ų | 85 | 138.1 Ų | 138.1 | 59% | 0.594 | 76% | 0.763 | S | S | * | * | | | trans | -147.9 | 132.6 | -163.7 | 172.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 281 | L | 31.5 | Very low | 30.9 | Very low | 169 Ų | 169 | 134.8 Ų | 134.8 | 89% | 0.885 | 76% | 0.761 | S | S | * | * | | | trans | 36.3 | 142.7 | 148.2 | -65.1 | 166.8 | 0 | 0 | 0 | 122 | | |
| 282 | C | 27.3 | Very low | 31 | Very low | 116 Ų | 116 | 137.2 Ų | 137.2 | 78% | 0.784 | 77% | 0.772 | S | S | * | * | | | trans | -70 | 160.9 | 174.9 | -49.1 | 0 | 0 | 0 | 0 | 113.7 | | |
| 283 | P | 36.6 | Very low | 31 | Very low | 130 Ų | 130 | 138 Ų | 138 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | | | trans | -73.2 | 167.1 | 158.5 | 34 | -35.3 | 0 | 0 | 0 | 112 | | |
| 284 | A | 28.5 | Very low | 30.9 | Very low | 93 Ų | 93 | 140.1 Ų | 140.1 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | | | trans | -138.5 | -153.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 285 | D | 33 | Very low | 30.6 | Very low | 154 Ų | 154 | 142.9 Ų | 142.9 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | | | trans | 71.7 | 142 | 176.8 | -86.4 | -141.3 | 0 | 0 | 0 | 117.2 | | |
| 286 | E | 34.2 | Very low | 30.5 | Very low | 145 Ų | 145 | 141.7 Ų | 141.7 | 68% | 0.678 | 77% | 0.771 | S | S | * | * | | | cis | -161.6 | 177.1 | -15.6 | -136 | -72.4 | 87.9 | 0 | 0 | 110.1 | | |
| 287 | E | 28.7 | Very low | 30.6 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 54% | 0.537 | 77% | 0.774 | S | S | . | * | | | trans | 103.7 | 75.9 | 147.3 | -154.2 | 159.2 | -152.7 | 0 | 0 | 119 | | |
| 288 | R | 28.4 | Very low | 30.4 | Very low | 174 Ų | 174 | 148.6 Ų | 148.6 | 66% | 0.657 | 78% | 0.778 | S | S | * | * | | | | 59.4 | 130.1 | 112.7 | -163.5 | -168.9 | -144.7 | 160.4 | 13.4 | 118.5 | | |
| 289 | R | 29 | Very low | 30.1 | Very low | 170 Ų | 170 | 144.7 Ų | 144.7 | 64% | 0.642 | 77% | 0.774 | S | S | * | * | | | | 176.2 | 118.8 | 91.4 | -164.8 | 168.9 | -60.9 | -164.1 | 0.7 | 114.5 | | |
| 290 | R | 31.4 | Very low | 30.7 | Very low | 202 Ų | 202 | 138.1 Ų | 138.1 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | | | trans | 41.6 | 117.3 | 155.8 | -74 | -173.8 | -84.7 | -92 | 7.4 | 119.9 | | |
| 291 | A | 26.9 | Very low | 30.4 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 156.2 | 148.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 292 | T | 34.8 | Very low | 30.1 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 136.4 | 171.8 | -56.5 | 0 | 0 | 0 | 0 | 110 | | |
| 293 | H | 30.8 | Very low | 30.3 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -94.1 | 140.8 | -177.1 | 177 | -98.9 | 0 | 0 | 0 | 111.3 | | |
| 294 | L | 31.1 | Very low | 29.9 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | | | trans | -169.8 | 159.2 | 136.6 | -104.4 | 169.1 | 0 | 0 | 0 | 111 | | |
| 295 | N | 27.6 | Very low | 30.1 | Very low | 152 Ų | 152 | 143.4 Ų | 143.4 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | trans | -124.9 | 140.1 | -172.7 | -161.2 | -4.3 | 0 | 0 | 0 | 108.7 | | |
| 296 | G | 26.3 | Very low | 30 | Very low | 71 Ų | 71 | 140.3 Ų | 140.3 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | | | trans | -165.2 | 122.7 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 297 | L | 33.1 | Very low | 29.7 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 89% | 0.885 | 78% | 0.783 | S | S | * | * | | | trans | -77.9 | 135.7 | 179 | -65.3 | 143.6 | 0 | 0 | 0 | 111.4 | | |
| 298 | Q | 27.8 | Very low | 29.8 | Very low | 190 Ų | 190 | 139.4 Ų | 139.4 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | | | | 168.9 | 134.7 | 118.5 | -92.2 | 172.2 | 29.1 | 0 | 0 | 113.4 | | |
| 299 | A | 27.2 | Very low | 30.6 | Very low | 85 Ų | 85 | 137 Ų | 137 | 70% | 0.702 | 80% | 0.801 | S | S | * | * | | | trans | -96.1 | 169.5 | 141.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | | |
| 300 | P | 38.7 | Very low | 31.3 | Very low | 115 Ų | 115 | 134 Ų | 134 | 75% | 0.747 | 80% | 0.804 | S | S | * | * | | | cis | -139.2 | -177.1 | 16.4 | 43.7 | -26.6 | 0 | 0 | 0 | 115.2 | | |
| 301 | S | 25.3 | Very low | 31.3 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 81% | 0.808 | S | S | * | * | | | | 173.3 | 143.6 | 116.1 | -73.6 | 0 | 0 | 0 | 0 | 112 | | |
| 302 | E | 26.5 | Very low | 31.5 | Very low | 186 Ų | 186 | 135.9 Ų | 135.9 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | | | trans | -80.8 | 147.1 | 165 | -61.7 | 165.1 | 92.7 | 0 | 0 | 110.6 | | |
| 303 | T | 31.4 | Very low | 31.2 | Very low | 142 Ų | 142 | 134.8 Ų | 134.8 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | | | trans | -139.9 | 114.5 | 143.9 | -34.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 304 | A | 27.9 | Very low | 31.2 | Very low | 85 Ų | 85 | 134.9 Ų | 134.9 | 70% | 0.702 | 81% | 0.808 | S | S | * | * | | | trans | -81.1 | 150.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 305 | L | 32.2 | Very low | 31.3 | Very low | 179 Ų | 179 | 132.8 Ų | 132.8 | 94% | 0.937 | 81% | 0.807 | S | S | * | * | | | trans | -146.4 | 142.8 | 143.8 | -135.3 | 91.5 | 0 | 0 | 0 | 108.7 | | |
| 306 | A | 30.9 | Very low | 31.9 | Very low | 90 Ų | 90 | 131.5 Ų | 131.5 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | | | trans | -110.9 | 145.8 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 307 | C | 27.5 | Very low | 32.3 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 88% | 0.878 | 82% | 0.816 | S | S | * | * | | | trans | -178.9 | 158.3 | 134 | -96.5 | 0 | 0 | 0 | 0 | 113.7 | | |
| 308 | S | 31.2 | Very low | 32 | Very low | 111 Ų | 111 | 135.4 Ų | 135.4 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | | | trans | -159 | 173.2 | 170.3 | -62.6 | 0 | 0 | 0 | 0 | 106.8 | | |
| 309 | P | 45.8 | Very low | 32.2 | Very low | 123 Ų | 123 | 131.3 Ų | 131.3 | 80% | 0.799 | 81% | 0.806 | S | S | * | * | | | cis | -104.5 | -123.9 | -8.2 | 43.8 | -29.6 | 0 | 0 | 0 | 107.6 | | |
| 310 | P | 43.2 | Very low | 32.3 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 70% | 0.701 | 81% | 0.814 | S | S | * | * | | | cis | -111.9 | -176.6 | -7.4 | 42.7 | -30.3 | 0 | 0 | 0 | 114 | | |
| 311 | M | 31.7 | Very low | 32 | Very low | 171 Ų | 171 | 138.7 Ų | 138.7 | 84% | 0.842 | 82% | 0.816 | S | S | * | * | | | trans | -86.4 | 155.4 | 157.2 | -65.2 | 173.2 | 169.6 | 0 | 0 | 110.9 | | |
| 312 | Q | 30.1 | Very low | 32.6 | Very low | 172 Ų | 172 | 139.2 Ų | 139.2 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | | | trans | -139.4 | 132.7 | 145.2 | -67.3 | -167 | 17.2 | 0 | 0 | 109.7 | | |
| 313 | C | 28.8 | Very low | 32.7 | Very low | 120 Ų | 120 | 135 Ų | 135 | 81% | 0.811 | 81% | 0.808 | S | S | * | * | | | trans | -103.5 | 128.2 | 171 | -64.4 | 0 | 0 | 0 | 0 | 108.7 | | |
| 314 | L | 30.2 | Very low | 32.7 | Very low | 159 Ų | 159 | 137 Ų | 137 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | | | trans | -137.6 | 125.5 | 167.5 | -72.2 | 176.3 | 0 | 0 | 0 | 109.1 | | |
| 315 | S | 33.3 | Very low | 32.7 | Very low | 120 Ų | 120 | 138.7 Ų | 138.7 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | | | trans | -90.3 | 144.1 | 170.6 | -59.3 | 0 | 0 | 0 | 0 | 109.7 | | |
| 316 | P | 41 | Very low | 32.6 | Very low | 124 Ų | 124 | 139 Ų | 139 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | | | trans | -86.2 | 104.6 | 162.9 | 32.4 | -27.8 | 0 | 0 | 0 | 109.6 | | |
| 317 | E | 33.8 | Very low | 32.7 | Very low | 198 Ų | 198 | 140.3 Ų | 140.3 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | | | trans | -80.7 | 135.9 | 157.2 | -175.3 | 161.9 | 70 | 0 | 0 | 108.2 | | |
| 318 | C | 28.2 | Very low | 33.5 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | | | trans | -147 | 136 | 179.5 | -169.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 319 | S | 31 | Very low | 33.9 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | trans | -144.7 | 173.2 | -176.5 | -168.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 320 | E | 29.4 | Very low | 33.2 | Very low | 185 Ų | 185 | 138 Ų | 138 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | | | trans | 76.2 | 96.4 | 167.6 | -49.6 | -156.3 | 115.2 | 0 | 0 | 117.6 | | |
| 321 | Q | 32.7 | Very low | 32.7 | Very low | 170 Ų | 170 | 141.7 Ų | 141.7 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | -61.8 | 157.7 | 144.7 | -118.1 | 177.5 | -74.2 | 0 | 0 | 109.6 | | |
| 322 | P | 36.8 | Very low | 32.6 | Very low | 121 Ų | 121 | 136.2 Ų | 136.2 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | | | | -143.8 | 158.8 | 66 | 37.4 | -19.2 | 0 | 0 | 0 | 116.7 | | |
| 323 | S | 30.3 | Very low | 32.7 | Very low | 97 Ų | 97 | 136 Ų | 136 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | | | trans | -88.5 | 145.1 | 171.2 | 33.9 | 0 | 0 | 0 | 0 | 111.5 | | |
| 324 | Q | 31.3 | Very low | 33.1 | Very low | 185 Ų | 185 | 138.3 Ų | 138.3 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | | | trans | -127.1 | 137.1 | 167.1 | -76 | -163 | 66.5 | 0 | 0 | 111.7 | | |
| 325 | T | 27 | Very low | 33.5 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 74% | 0.742 | 80% | 0.799 | S | S | * | * | | | trans | -82.4 | 135.2 | 178 | -56.7 | 0 | 0 | 0 | 0 | 110.9 | | |
| 326 | H | 30.6 | Very low | 33.5 | Very low | 184 Ų | 184 | 135.2 Ų | 135.2 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | | | trans | -151.5 | 127.2 | 150.2 | -100.4 | -68.1 | 0 | 0 | 0 | 112.3 | | |
| 327 | T | 32.6 | Very low | 33.9 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 73% | 0.73 | 79% | 0.788 | S | S | * | * | | | trans | -96.2 | 158 | 173.2 | -22.7 | 0 | 0 | 0 | 0 | 110.4 | | |
| 328 | P | 43.7 | Very low | 33.8 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | -131.5 | 147.8 | 136.4 | 35.7 | -26 | 0 | 0 | 0 | 113.2 | | |
| 329 | P | 40.4 | Very low | 34 | Very low | 130 Ų | 130 | 130.6 Ų | 130.6 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | | | trans | -79 | 154.6 | 171.9 | 34.1 | -34.6 | 0 | 0 | 0 | 111.7 | | |
| 330 | G | 30.9 | Very low | 34.5 | Very low | 74 Ų | 74 | 132.3 Ų | 132.3 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | | | trans | -106.6 | 176.7 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | | |
| 331 | L | 34 | Very low | 34.8 | Very low | 184 Ų | 184 | 128.3 Ų | 128.3 | 96% | 0.963 | 79% | 0.787 | S | S | * | * | | | trans | -156 | 143 | 166.6 | -145.4 | 91.4 | 0 | 0 | 0 | 109.8 | | |
| 332 | G | 29.1 | Very low | 35.2 | Very low | 57 Ų | 57 | 125.3 Ų | 125.3 | 59% | 0.588 | 79% | 0.792 | S | S | * | * | | | trans | 105.3 | 102.8 | 157.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | | |
| 333 | N | 30.9 | Very low | 35 | Very low | 168 Ų | 168 | 123 Ų | 123 | 90% | 0.898 | 79% | 0.79 | S | S | * | * | | | trans | 74.6 | 121.6 | 135.7 | -50.8 | -29.5 | 0 | 0 | 0 | 122 | | |
| 334 | Q | 37.1 | Very low | 35.8 | Very low | 168 Ų | 168 | 128.3 Ų | 128.3 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | | | trans | -63.6 | 168.9 | 156.7 | -79.2 | -81.8 | 34.2 | 0 | 0 | 112 | | |
| 335 | P | 40.5 | Very low | 36.4 | Very low | 118 Ų | 118 | 127 Ų | 127 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | | | cis | -137.3 | 171.4 | 25.7 | 41.7 | -23 | 0 | 0 | 0 | 119 | | |
| 336 | S | 32.5 | Very low | 37.2 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 66% | 0.664 | 80% | 0.803 | S | S | * | * | | | trans | -68.9 | 166.1 | 169.5 | 60 | 0 | 0 | 0 | 0 | 114.6 | | |
| 337 | P | 48.6 | Very low | 38 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | | | | -147.3 | 148.4 | 100 | 38.2 | -23.2 | 0 | 0 | 0 | 117.9 | | |
| 338 | T | 32.2 | Very low | 38.9 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | | | trans | 40.9 | 115.7 | 138 | -47.9 | 0 | 0 | 0 | 0 | 122.1 | | |
| 339 | A | 32.9 | Very low | 39.4 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | | | trans | -150.6 | 152.5 | 135.8 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 340 | V | 40.2 | Very low | 40.2 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | | | trans | -118.4 | 132.2 | -178.1 | 174.7 | 0 | 0 | 0 | 0 | 110.3 | | |
| 341 | A | 36.6 | Very low | 41.2 | Very low | 101 Ų | 101 | 128.1 Ų | 128.1 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | | | trans | -149.7 | 128.2 | 157.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | | |
| 342 | A | 42.1 | Very low | 42.2 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 88% | 0.884 | 76% | 0.756 | S | S | * | * | | | trans | -91.4 | 145.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | | |
| 343 | G | 32.4 | Very low | 43.5 | Very low | 73 Ų | 73 | 127.7 Ų | 127.7 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | trans | -164.1 | 123.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | E345 | G343-E345 PolarHBondContact O-N 3.41Å; G343-E345 VanDerWaalsContact O-N 3.16Å |
| 344 | E | 46.2 | Very low | 44.9 | Very low | 209 Ų | 209 | 125.3 Ų | 125.3 | 98% | 0.977 | 74% | 0.742 | S | S | * | * | | | trans | -88.5 | 70.9 | -170.8 | -66.5 | 159.1 | 101.5 | 0 | 0 | 111.8 | | |
| 345 | E | 43.8 | Very low | 46.1 | Very low | 156 Ų | 156 | 120.9 Ų | 120.9 | 73% | 0.729 | 73% | 0.727 | S | S | * | * | | | trans | -131 | 78.3 | 179.3 | -161 | 171.9 | -175.4 | 0 | 0 | 113.2 | G343 | G343-E345 PolarHBondContact O-N 3.41Å; G343-E345 VanDerWaalsContact O-N 3.16Å |
| 346 | C | 43.9 | Very low | 47.4 | Very low | 125 Ų | 125 | 120 Ų | 120 | 85% | 0.845 | 72% | 0.719 | S | S | * | * | | | trans | -137.2 | 34.6 | 170.2 | -81.3 | 0 | 0 | 0 | 0 | 112.1 | | |
| 347 | Q | 48.2 | Very low | 49.9 | Very low | 197 Ų | 197 | 120.9 Ų | 120.9 | 92% | 0.921 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -125.5 | -2.3 | 175.9 | -65.9 | -166.8 | 37.2 | 0 | 0 | 114.6 | | |
| 348 | Q | 50.3 | Low | 51.8 | Low | 122 Ų | 122 | 120 Ų | 120 | 57% | 0.57 | 71% | 0.705 | S | S | * | * | | | trans | -118.2 | 52.4 | -171.4 | -162.8 | 102.8 | 74.2 | 0 | 0 | 113 | H352 | Q348-H352 PolarHBondContact NE2-CD2 3.4Š|
| 349 | I | 54.7 | Low | 54.5 | Low | 162 Ų | 162 | 120.7 Ų | 120.7 | 83% | 0.831 | 70% | 0.696 | S | S | * | * | | | trans | -120 | 36.5 | 172.5 | -34.1 | -179 | 0 | 0 | 0 | 111.5 | | |
| 350 | V | 57.2 | Low | 57.3 | Low | 95 Ų | 95 | 118.4 Ų | 118.4 | 58% | 0.576 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -126.3 | 126.3 | 164.7 | 178.8 | 0 | 0 | 0 | 0 | 107.2 | H352 V355 | V350-H352 PolarHBondContact O-N 3.31Å; V350-V355 HydrophobicContact CG1-CG2 4.2Å |
| 351 | P | 51.4 | Low | 59.8 | Low | 64 Ų | 64 | 116.8 Ų | 116.8 | 42% | 0.416 | 66% | 0.66 | S | S | . | * | | | trans | -62 | 109.2 | 177.4 | -22.8 | 34.3 | 0 | 0 | 0 | 111.2 | T353 E354 | P351-T353 PolarHBondContact O-N 3.06Å; P351-E354 HydrophobicContact CB-CG 4.21Å; P351-E354 PolarHBondContact O-N 3.33Å |
| 352 | H | 54.8 | Low | 62.6 | Low | 126 Ų | 126 | 116.9 Ų | 116.9 | 58% | 0.583 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -57.2 | -25.6 | 178.1 | -103.3 | -34.4 | 0 | 0 | 0 | 112.9 | Q348 V350 E354 V355 V356 | Q348-H352 PolarHBondContact NE2-CD2 3.4Å; V350-H352 PolarHBondContact O-N 3.31Å; H352-E354 PolarHBondContact O-N 2.99Å; H352-V355 PolarHBondContact O-N 3.06Å; H352-V356 WeakPolarHBondContact O-CG2 3.46Å; H352-V356 PolarHBondContact O-N 3.31Å |
| 353 | T | 57.6 | Low | 65.1 | Low | 106 Ų | 106 | 116 Ų | 116 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -56.8 | -42.9 | 174.3 | 43.9 | 0 | 0 | 0 | 0 | 113.2 | P351 V356 D357 | P351-T353 PolarHBondContact O-N 3.06Å; T353-V356 PolarHBondContact O-N 3.28Å; T353-D357 PolarHBondContact O-N 2.98Å |
| 354 | E | 60.7 | Low | 68 | Low | 117 Ų | 117 | 118.8 Ų | 118.8 | 55% | 0.547 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.6 | -39 | -179.1 | -66.9 | 173.8 | -170 | 0 | 0 | 111.2 | P351 H352 V356 D357 L358 | P351-E354 HydrophobicContact CB-CG 4.21Å; P351-E354 PolarHBondContact O-N 3.33Å; H352-E354 PolarHBondContact O-N 2.99Å; E354-V356 VanDerWaalsContact C-N 3.34Å; E354-D357 PolarHBondContact O-N 3.3Å; E354-L358 WeakPolarHBondContact O-CB 3.49Å; E354-L358 WeakPolarHBondContact O-CG 3.45Å; E354-L358 PolarHBondContact O-N 2.83Å |
| 355 | V | 61.8 | Low | 70.4 | Confident | 76 Ų | 76 | 113.7 Ų | 113.7 | 46% | 0.461 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -67.8 | -35.4 | 177.4 | -174.3 | 0 | 0 | 0 | 0 | 111.4 | V350 H352 K359 | V350-V355 HydrophobicContact CG1-CG2 4.2Å; H352-V355 PolarHBondContact O-N 3.06Å; V355-K359 VanDerWaalsContact O-CB 3.25Å; V355-K359 WeakPolarHBondContact O-CB 3.39Å; V355-K359 PolarHBondContact O-N 3.41Å |
| 356 | V | 68.3 | Low | 72.9 | Confident | 98 Ų | 98 | 111.1 Ų | 111.1 | 59% | 0.594 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69 | -40.9 | 175.2 | 169.2 | 0 | 0 | 0 | 0 | 111.4 | H352 T353 E354 K359 A360 | H352-V356 WeakPolarHBondContact O-CG2 3.46Å; H352-V356 PolarHBondContact O-N 3.31Å; T353-V356 PolarHBondContact O-N 3.28Å; E354-V356 VanDerWaalsContact C-N 3.34Å; V356-K359 PolarHBondContact O-N 2.98Å; V356-A360 PolarHBondContact O-N 3.07Å |
| 357 | D | 83.9 | Confident | 75.4 | Confident | 114 Ų | 114 | 109.9 Ų | 109.9 | 61% | 0.61 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -69 | -45.5 | 177.8 | -165.7 | 45 | 0 | 0 | 0 | 111.9 | T353 E354 K359 A360 Q361 | T353-D357 PolarHBondContact O-N 2.98Å; E354-D357 PolarHBondContact O-N 3.3Å; D357-K359 VanDerWaalsContact C-N 3.27Å; D357-K359 PolarHBondContact O-N 3.06Å; D357-A360 CarbonylContact O-C 3.51Å; D357-A360 WeakPolarHBondContact O-CB 3.46Å; D357-A360 PolarHBondContact O-N 3.41Å; D357-Q361 PolarHBondContact O-N 2.89Å |
| 358 | L | 89.4 | Confident | 77.7 | Confident | 96 Ų | 96 | 106.1 Ų | 106.1 | 50% | 0.503 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.6 | -38.7 | 171.8 | -81.8 | 162.1 | 0 | 0 | 0 | 112.4 | E354 Q361 L362 | E354-L358 WeakPolarHBondContact O-CB 3.49Å; E354-L358 WeakPolarHBondContact O-CG 3.45Å; E354-L358 PolarHBondContact O-N 2.83Å; L358-Q361 PolarHBondContact O-N 3.33Å; L358-L362 WeakPolarHBondContact O-CG 3.09Å; L358-L362 PolarHBondContact O-N 3.41Å |
| 359 | K | 87.4 | Confident | 79.9 | Confident | 148 Ų | 148 | 105.2 Ų | 105.2 | 64% | 0.643 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -66.8 | -39.6 | 174.4 | -175.2 | 173.8 | -178.9 | 175.8 | 0 | 112 | V355 V356 D357 L362 Q363 | V355-K359 VanDerWaalsContact O-CB 3.25Å; V355-K359 WeakPolarHBondContact O-CB 3.39Å; V355-K359 PolarHBondContact O-N 3.41Å; V356-K359 PolarHBondContact O-N 2.98Å; D357-K359 VanDerWaalsContact C-N 3.27Å; D357-K359 PolarHBondContact O-N 3.06Å; K359-L362 PolarHBondContact O-N 2.95Å; K359-Q363 WeakPolarHBondContact O-CB 3.47Å; K359-Q363 PolarHBondContact O-N 2.86Å |
| 360 | A | 92.2 | Very high | 81.9 | Confident | 54 Ų | 54 | 100.7 Ų | 100.7 | 45% | 0.446 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | V356 D357 Q363 M364 | V356-A360 PolarHBondContact O-N 3.07Å; D357-A360 CarbonylContact O-C 3.51Å; D357-A360 WeakPolarHBondContact O-CB 3.46Å; D357-A360 PolarHBondContact O-N 3.41Å; A360-Q363 PolarHBondContact O-N 3.46Å; A360-M364 WeakPolarHBondContact O-CB 3.37Å; A360-M364 PolarHBondContact O-N 3.23Å |
| 361 | Q | 93.6 | Very high | 83.9 | Confident | 106 Ų | 106 | 99.3 Ų | 99.3 | 50% | 0.495 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 174.7 | -173.3 | -176.2 | 2.5 | 0 | 0 | 112.1 | D357 L358 M364 M365 | D357-Q361 PolarHBondContact O-N 2.89Å; L358-Q361 PolarHBondContact O-N 3.33Å; Q361-M364 WeakPolarHBondContact O-CB 3.38Å; Q361-M364 PolarHBondContact O-N 3.49Å; Q361-M365 PolarHBondContact O-N 2.95Å |
| 362 | L | 93.8 | Very high | 86 | Confident | 104 Ų | 104 | 98.6 Ų | 98.6 | 55% | 0.545 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.8 | -46 | 174 | -75.1 | 168.6 | 0 | 0 | 0 | 111.2 | L358 K359 M364 M365 E366 | L358-L362 WeakPolarHBondContact O-CG 3.09Å; L358-L362 PolarHBondContact O-N 3.41Å; K359-L362 PolarHBondContact O-N 2.95Å; L362-M364 VanDerWaalsContact C-N 3.27Å; L362-M364 PolarHBondContact O-N 2.75Å; L362-M365 WeakPolarHBondContact O-CB 3.42Å; L362-M365 PolarHBondContact O-N 3.3Å; L362-M365 VanDerWaalsContact O-N 3.07Å; L362-E366 WeakPolarHBondContact O-CG 3.21Å; L362-E366 PolarHBondContact O-N 3.21Å |
| 363 | Q | 94.6 | Very high | 88.1 | Confident | 87 Ų | 87 | 99.1 Ų | 99.1 | 41% | 0.407 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.5 | -36.1 | 176.8 | -162.7 | 68.5 | 82.3 | 0 | 0 | 112.3 | K359 A360 E366 N367 | K359-Q363 WeakPolarHBondContact O-CB 3.47Å; K359-Q363 PolarHBondContact O-N 2.86Å; A360-Q363 PolarHBondContact O-N 3.46Å; Q363-E366 PolarHBondContact NE2-OE2 3.32Å; Q363-N367 WeakPolarHBondContact O-CB 3.35Å; Q363-N367 PolarHBondContact O-N 3.21Å; Q363-N367 PolarHBondContact O-ND2 3.41Å; Q363-N367 VanDerWaalsContact O-ND2 3.15Å |
| 364 | M | 94.5 | Very high | 90 | Very high | 133 Ų | 133 | 100.4 Ų | 100.4 | 66% | 0.655 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.8 | -43.4 | 172.9 | -171.4 | -164.5 | -58.7 | 0 | 0 | 111.6 | A360 Q361 L362 N367 L368 | A360-M364 WeakPolarHBondContact O-CB 3.37Å; A360-M364 PolarHBondContact O-N 3.23Å; Q361-M364 WeakPolarHBondContact O-CB 3.38Å; Q361-M364 PolarHBondContact O-N 3.49Å; L362-M364 VanDerWaalsContact C-N 3.27Å; L362-M364 PolarHBondContact O-N 2.75Å; M364-N367 PolarHBondContact O-N 2.94Å; M364-L368 WeakPolarHBondContact O-CB 3.38Å; M364-L368 PolarHBondContact O-N 3.24Å |
| 365 | M | 96.9 | Very high | 91.7 | Very high | 101 Ų | 101 | 98.4 Ų | 98.4 | 50% | 0.498 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.8 | -44.1 | 175 | -84.2 | -178.2 | 54.7 | 0 | 0 | 112.3 | Q361 L362 N367 L368 I369 | Q361-M365 PolarHBondContact O-N 2.95Å; L362-M365 WeakPolarHBondContact O-CB 3.42Å; L362-M365 PolarHBondContact O-N 3.3Å; L362-M365 VanDerWaalsContact O-N 3.07Å; M365-N367 VanDerWaalsContact C-N 3.34Å; M365-N367 PolarHBondContact O-N 3.47Å; M365-L368 PolarHBondContact O-N 2.87Å; M365-I369 WeakPolarHBondContact O-CB 3.48Å; M365-I369 WeakPolarHBondContact O-CD1 3.39Å; M365-I369 VanDerWaalsContact O-CG1 3.23Å; M365-I369 WeakPolarHBondContact O-CG1 3.38Å; M365-I369 PolarHBondContact O-N 3.49Å |
| 366 | E | 95.3 | Very high | 93.3 | Very high | 103 Ų | 103 | 99.3 Ų | 99.3 | 48% | 0.481 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 175.8 | -72 | 173.4 | -174.9 | 0 | 0 | 111.9 | L362 Q363 I369 S370 | L362-E366 WeakPolarHBondContact O-CG 3.21Å; L362-E366 PolarHBondContact O-N 3.21Å; Q363-E366 PolarHBondContact NE2-OE2 3.32Å; E366-I369 PolarHBondContact O-N 2.92Å; E366-S370 WeakPolarHBondContact O-CB 3.11Å; E366-S370 PolarHBondContact O-N 3.45Å; E366-S370 PolarHBondContact O-OG 3.08Å |
| 367 | N | 96 | Very high | 94.7 | Very high | 98 Ų | 98 | 102.2 Ų | 102.2 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -41.8 | 176.2 | -71.7 | -23.9 | 0 | 0 | 0 | 111.9 | Q363 M364 M365 S370 S371 | Q363-N367 WeakPolarHBondContact O-CB 3.35Å; Q363-N367 PolarHBondContact O-N 3.21Å; Q363-N367 PolarHBondContact O-ND2 3.41Å; Q363-N367 VanDerWaalsContact O-ND2 3.15Å; M364-N367 PolarHBondContact O-N 2.94Å; M365-N367 VanDerWaalsContact C-N 3.34Å; M365-N367 PolarHBondContact O-N 3.47Å; N367-S370 PolarHBondContact O-N 2.84Å; N367-S371 VanDerWaalsContact O-CB 3.28Å; N367-S371 WeakPolarHBondContact O-CB 3.42Å; N367-S371 PolarHBondContact O-N 3.17Å |
| 368 | L | 96.9 | Very high | 95.4 | Very high | 118 Ų | 118 | 101 Ų | 101 | 62% | 0.618 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.3 | -43.5 | 176.5 | -179.8 | 63.1 | 0 | 0 | 0 | 111.8 | M364 M365 S371 S372 | M364-L368 WeakPolarHBondContact O-CB 3.38Å; M364-L368 PolarHBondContact O-N 3.24Å; M365-L368 PolarHBondContact O-N 2.87Å; L368-S371 PolarHBondContact O-N 2.73Å; L368-S372 VanDerWaalsContact O-CB 3.31Å; L368-S372 WeakPolarHBondContact O-CB 3.25Å; L368-S372 PolarHBondContact O-N 3.47Å; L368-S372 PolarHBondContact O-OG 3.26Å |
| 369 | I | 96.5 | Very high | 95.8 | Very high | 103 Ų | 103 | 101.2 Ų | 101.2 | 53% | 0.528 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.8 | -48.7 | 176.4 | -70.7 | 163.7 | 0 | 0 | 0 | 109.7 | M365 E366 S371 S372 Q373 | M365-I369 WeakPolarHBondContact O-CB 3.48Å; M365-I369 WeakPolarHBondContact O-CD1 3.39Å; M365-I369 VanDerWaalsContact O-CG1 3.23Å; M365-I369 WeakPolarHBondContact O-CG1 3.38Å; M365-I369 PolarHBondContact O-N 3.49Å; E366-I369 PolarHBondContact O-N 2.92Å; I369-S371 PolarHBondContact O-N 3.19Å; I369-S372 PolarHBondContact O-N 3.48Å; I369-S372 PolarHBondContact O-OG 2.92Å; I369-Q373 PolarHBondContact O-N 2.9Å |
| 370 | S | 97.7 | Very high | 96.1 | Very high | 67 Ų | 67 | 99.2 Ų | 99.2 | 47% | 0.469 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 178.4 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | E366 N367 S372 Q373 E374 | E366-S370 WeakPolarHBondContact O-CB 3.11Å; E366-S370 PolarHBondContact O-N 3.45Å; E366-S370 PolarHBondContact O-OG 3.08Å; N367-S370 PolarHBondContact O-N 2.84Å; S370-S372 VanDerWaalsContact C-N 3.34Å; S370-S372 PolarHBondContact O-N 3.48Å; S370-Q373 WeakPolarHBondContact O-CB 3.33Å; S370-Q373 PolarHBondContact O-N 3.45Å; S370-E374 PolarHBondContact O-N 2.86Å |
| 371 | S | 97.6 | Very high | 96.3 | Very high | 66 Ų | 66 | 98 Ų | 98 | 46% | 0.462 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64 | -37.2 | 175.9 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | N367 L368 I369 T375 | N367-S371 VanDerWaalsContact O-CB 3.28Å; N367-S371 WeakPolarHBondContact O-CB 3.42Å; N367-S371 PolarHBondContact O-N 3.17Å; L368-S371 PolarHBondContact O-N 2.73Å; I369-S371 PolarHBondContact O-N 3.19Å; S371-T375 WeakPolarHBondContact O-CB 3.18Å; S371-T375 PolarHBondContact O-N 3.45Å; S371-T375 PolarHBondContact O-OG1 3.15Å |
| 372 | S | 97.3 | Very high | 96.5 | Very high | 50 Ų | 50 | 96.4 Ų | 96.4 | 35% | 0.35 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.4 | -38.4 | 174.7 | 80.5 | 0 | 0 | 0 | 0 | 112 | L368 I369 S370 T375 I376 | L368-S372 VanDerWaalsContact O-CB 3.31Å; L368-S372 WeakPolarHBondContact O-CB 3.25Å; L368-S372 PolarHBondContact O-N 3.47Å; L368-S372 PolarHBondContact O-OG 3.26Å; I369-S372 PolarHBondContact O-N 3.48Å; I369-S372 PolarHBondContact O-OG 2.92Å; S370-S372 VanDerWaalsContact C-N 3.34Å; S370-S372 PolarHBondContact O-N 3.48Å; S372-T375 PolarHBondContact O-N 3.01Å; S372-I376 WeakPolarHBondContact O-CB 3.35Å; S372-I376 WeakPolarHBondContact O-CD1 3.29Å; S372-I376 WeakPolarHBondContact O-CG1 3.49Å; S372-I376 PolarHBondContact O-N 3Å |
| 373 | Q | 97.6 | Very high | 96.4 | Very high | 137 Ų | 137 | 95.3 Ų | 95.3 | 64% | 0.64 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.6 | -44.4 | 176.4 | -170 | -170.4 | 42.4 | 0 | 0 | 111.1 | I369 S370 I376 K377 | I369-Q373 PolarHBondContact O-N 2.9Å; S370-Q373 WeakPolarHBondContact O-CB 3.33Å; S370-Q373 PolarHBondContact O-N 3.45Å; Q373-I376 PolarHBondContact O-N 3.23Å; Q373-K377 VanDerWaalsContact O-CB 3.26Å; Q373-K377 WeakPolarHBondContact O-CB 3.28Å; Q373-K377 PolarHBondContact O-N 3.5Å |
| 374 | E | 97.3 | Very high | 96.3 | Very high | 133 Ų | 133 | 97.8 Ų | 97.8 | 62% | 0.621 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -44.9 | 174.2 | -177.3 | 165.6 | -138.4 | 0 | 0 | 111.7 | S370 I376 K377 V378 | S370-E374 PolarHBondContact O-N 2.86Å; E374-I376 PolarHBondContact O-N 3.32Å; E374-K377 WeakPolarHBondContact O-CB 3.37Å; E374-K377 PolarHBondContact O-N 3.03Å; E374-K377 VanDerWaalsContact O-N 3.17Å; E374-V378 WeakPolarHBondContact O-CG2 3.34Å; E374-V378 PolarHBondContact O-N 3.47Å |
| 375 | T | 97.8 | Very high | 96.1 | Very high | 74 Ų | 74 | 98.3 Ų | 98.3 | 45% | 0.454 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.6 | -46.5 | 176.1 | -58.9 | 0 | 0 | 0 | 0 | 111.5 | S371 S372 K377 V378 L379 | S371-T375 WeakPolarHBondContact O-CB 3.18Å; S371-T375 PolarHBondContact O-N 3.45Å; S371-T375 PolarHBondContact O-OG1 3.15Å; S372-T375 PolarHBondContact O-N 3.01Å; T375-K377 PolarHBondContact O-N 2.85Å; T375-V378 PolarHBondContact O-N 2.75Å; T375-L379 HydrophobicContact CG2-CD1 4.04Å; T375-L379 WeakPolarHBondContact O-CB 3.3Å; T375-L379 VanDerWaalsContact O-CG 3.28Å; T375-L379 WeakPolarHBondContact O-CG 3.49Å; T375-L379 PolarHBondContact O-N 2.89Å |
| 376 | I | 95.6 | Very high | 95.8 | Very high | 96 Ų | 96 | 99.3 Ų | 99.3 | 49% | 0.492 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 176 | -71.2 | 163.3 | 0 | 0 | 0 | 110.7 | S372 Q373 E374 V378 L379 L380 | S372-I376 WeakPolarHBondContact O-CB 3.35Å; S372-I376 WeakPolarHBondContact O-CD1 3.29Å; S372-I376 WeakPolarHBondContact O-CG1 3.49Å; S372-I376 PolarHBondContact O-N 3Å; Q373-I376 PolarHBondContact O-N 3.23Å; E374-I376 PolarHBondContact O-N 3.32Å; I376-V378 PolarHBondContact O-N 3.31Å; I376-L379 PolarHBondContact O-N 3.03Å; I376-L380 HydrophobicContact CG2-CD1 3.79Å; I376-L380 HydrophobicContact CG2-CG 4.27Å; I376-L380 WeakPolarHBondContact O-CB 3.48Å; I376-L380 VanDerWaalsContact O-CG 3.26Å; I376-L380 WeakPolarHBondContact O-CG 3.43Å; I376-L380 PolarHBondContact O-N 3.17Å |
| 377 | K | 97.1 | Very high | 95.4 | Very high | 159 Ų | 159 | 99.4 Ų | 99.4 | 69% | 0.691 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.8 | -42.3 | 177.5 | -177.8 | -177.8 | 177.6 | -174.1 | 0 | 112.1 | Q373 E374 T375 G381 | Q373-K377 VanDerWaalsContact O-CB 3.26Å; Q373-K377 WeakPolarHBondContact O-CB 3.28Å; Q373-K377 PolarHBondContact O-N 3.5Å; E374-K377 WeakPolarHBondContact O-CB 3.37Å; E374-K377 PolarHBondContact O-N 3.03Å; E374-K377 VanDerWaalsContact O-N 3.17Å; T375-K377 PolarHBondContact O-N 2.85Å; K377-G381 PolarHBondContact O-N 2.9Å |
| 378 | V | 98.1 | Very high | 94.9 | Very high | 89 Ų | 89 | 102.2 Ų | 102.2 | 54% | 0.539 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.7 | -46.2 | 174.6 | 171.9 | 0 | 0 | 0 | 0 | 111 | E374 T375 I376 L380 G381 V382 | E374-V378 WeakPolarHBondContact O-CG2 3.34Å; E374-V378 PolarHBondContact O-N 3.47Å; T375-V378 PolarHBondContact O-N 2.75Å; I376-V378 PolarHBondContact O-N 3.31Å; V378-L380 PolarHBondContact O-N 3.5Å; V378-G381 PolarHBondContact O-N 3.32Å; V378-V382 WeakPolarHBondContact O-CG2 3.47Å; V378-V382 PolarHBondContact O-N 3.47Å |
| 379 | L | 97.6 | Very high | 94.4 | Very high | 99 Ų | 99 | 98.5 Ų | 98.5 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61 | -43.6 | 177.7 | -72.8 | 170.6 | 0 | 0 | 0 | 112.2 | T375 I376 G381 V382 I383 | T375-L379 HydrophobicContact CG2-CD1 4.04Å; T375-L379 WeakPolarHBondContact O-CB 3.3Å; T375-L379 VanDerWaalsContact O-CG 3.28Å; T375-L379 WeakPolarHBondContact O-CG 3.49Å; T375-L379 PolarHBondContact O-N 2.89Å; I376-L379 PolarHBondContact O-N 3.03Å; L379-G381 VanDerWaalsContact C-N 3.32Å; L379-G381 PolarHBondContact O-N 3.49Å; L379-V382 PolarHBondContact O-N 2.84Å; L379-I383 WeakPolarHBondContact O-CB 3.45Å; L379-I383 WeakPolarHBondContact O-CD1 3.47Å; L379-I383 VanDerWaalsContact O-CG1 3.22Å; L379-I383 WeakPolarHBondContact O-CG1 3.23Å; L379-I383 PolarHBondContact O-N 2.76Å |
| 380 | L | 94.3 | Very high | 93.7 | Very high | 106 Ų | 106 | 98.2 Ų | 98.2 | 56% | 0.555 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.9 | -37.6 | 175 | -72.6 | 171.4 | 0 | 0 | 0 | 112 | I376 V378 Q384 | I376-L380 HydrophobicContact CG2-CD1 3.79Å; I376-L380 HydrophobicContact CG2-CG 4.27Å; I376-L380 WeakPolarHBondContact O-CB 3.48Å; I376-L380 VanDerWaalsContact O-CG 3.26Å; I376-L380 WeakPolarHBondContact O-CG 3.43Å; I376-L380 PolarHBondContact O-N 3.17Å; V378-L380 PolarHBondContact O-N 3.5Å; L380-Q384 VanDerWaalsContact O-CB 3.31Å; L380-Q384 WeakPolarHBondContact O-CB 3.47Å; L380-Q384 PolarHBondContact O-N 3.46Å |
| 381 | G | 96.1 | Very high | 92.8 | Very high | 30 Ų | 30 | 95.4 Ų | 95.4 | 31% | 0.309 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.1 | -51.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K377 V378 L379 I383 Q384 E385 | K377-G381 PolarHBondContact O-N 2.9Å; V378-G381 PolarHBondContact O-N 3.32Å; L379-G381 VanDerWaalsContact C-N 3.32Å; L379-G381 PolarHBondContact O-N 3.49Å; G381-I383 VanDerWaalsContact C-N 3.35Å; G381-I383 PolarHBondContact O-N 2.92Å; G381-Q384 PolarHBondContact O-N 2.88Å; G381-Q384 VanDerWaalsContact O-N 3.16Å; G381-E385 PolarHBondContact O-N 2.96Å |
| 382 | V | 97.2 | Very high | 91.9 | Very high | 71 Ų | 71 | 100.3 Ų | 100.3 | 43% | 0.43 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.7 | -41.2 | 178.2 | 173.8 | 0 | 0 | 0 | 0 | 111.6 | V378 L379 E385 L386 | V378-V382 WeakPolarHBondContact O-CG2 3.47Å; V378-V382 PolarHBondContact O-N 3.47Å; L379-V382 PolarHBondContact O-N 2.84Å; V382-E385 PolarHBondContact O-N 3.43Å; V382-L386 HydrophobicContact CG1-CD1 3.96Å; V382-L386 HydrophobicContact CG1-CG 4.43Å; V382-L386 WeakPolarHBondContact O-CB 3.42Å; V382-L386 VanDerWaalsContact O-CG 3.27Å; V382-L386 WeakPolarHBondContact O-CG 3.27Å; V382-L386 PolarHBondContact O-N 2.89Å |
| 383 | I | 92.9 | Very high | 91 | Very high | 82 Ų | 82 | 106.7 Ų | 106.7 | 42% | 0.421 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -60.6 | -47.4 | 174 | -70.1 | 163.7 | 0 | 0 | 0 | 110.3 | L379 G381 E385 L386 E387 | L379-I383 WeakPolarHBondContact O-CB 3.45Å; L379-I383 WeakPolarHBondContact O-CD1 3.47Å; L379-I383 VanDerWaalsContact O-CG1 3.22Å; L379-I383 WeakPolarHBondContact O-CG1 3.23Å; L379-I383 PolarHBondContact O-N 2.76Å; G381-I383 VanDerWaalsContact C-N 3.35Å; G381-I383 PolarHBondContact O-N 2.92Å; I383-E385 VanDerWaalsContact C-N 3.32Å; I383-E385 PolarHBondContact O-N 3.37Å; I383-L386 PolarHBondContact O-N 3.37Å; I383-E387 HydrophobicContact CG2-CG 4.2Å; I383-E387 WeakPolarHBondContact O-CB 3.28Å; I383-E387 WeakPolarHBondContact O-CG 3.39Å; I383-E387 PolarHBondContact O-N 2.92Å |
| 384 | Q | 91.1 | Very high | 90.2 | Very high | 139 Ų | 139 | 105.8 Ų | 105.8 | 65% | 0.65 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.9 | -35 | 179.6 | -175.9 | 171 | 67.5 | 0 | 0 | 112.7 | L380 G381 K388 | L380-Q384 VanDerWaalsContact O-CB 3.31Å; L380-Q384 WeakPolarHBondContact O-CB 3.47Å; L380-Q384 PolarHBondContact O-N 3.46Å; G381-Q384 PolarHBondContact O-N 2.88Å; G381-Q384 VanDerWaalsContact O-N 3.16Å; Q384-K388 WeakPolarHBondContact O-CB 3.41Å; Q384-K388 PolarHBondContact O-N 3.47Å |
| 385 | E | 91.2 | Very high | 89 | Confident | 144 Ų | 144 | 102.8 Ų | 102.8 | 67% | 0.673 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68 | -42.4 | 173.1 | -72.8 | -172.7 | 166.2 | 0 | 0 | 112.4 | G381 V382 I383 K388 G389 | G381-E385 PolarHBondContact O-N 2.96Å; V382-E385 PolarHBondContact O-N 3.43Å; I383-E385 VanDerWaalsContact C-N 3.32Å; I383-E385 PolarHBondContact O-N 3.37Å; E385-K388 PolarHBondContact O-N 2.99Å; E385-G389 PolarHBondContact O-N 3.45Å |
| 386 | L | 90.2 | Very high | 87.4 | Confident | 121 Ų | 121 | 103.5 Ų | 103.5 | 63% | 0.634 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.4 | -46.8 | 176.3 | -70.9 | 170.6 | 0 | 0 | 0 | 111.9 | V382 I383 K388 G389 E390 | V382-L386 HydrophobicContact CG1-CD1 3.96Å; V382-L386 HydrophobicContact CG1-CG 4.43Å; V382-L386 WeakPolarHBondContact O-CB 3.42Å; V382-L386 VanDerWaalsContact O-CG 3.27Å; V382-L386 WeakPolarHBondContact O-CG 3.27Å; V382-L386 PolarHBondContact O-N 2.89Å; I383-L386 PolarHBondContact O-N 3.37Å; L386-K388 VanDerWaalsContact C-N 3.35Å; L386-K388 PolarHBondContact O-N 2.87Å; L386-G389 PolarHBondContact O-N 3.02Å; L386-E390 WeakPolarHBondContact O-CB 3.35Å; L386-E390 PolarHBondContact O-N 2.93Å |
| 387 | E | 86.4 | Confident | 85.7 | Confident | 105 Ų | 105 | 104.1 Ų | 104.1 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -60 | -43.6 | 175.3 | -74.7 | -176.1 | 166 | 0 | 0 | 111.5 | I383 E390 A391 | I383-E387 HydrophobicContact CG2-CG 4.2Å; I383-E387 WeakPolarHBondContact O-CB 3.28Å; I383-E387 WeakPolarHBondContact O-CG 3.39Å; I383-E387 PolarHBondContact O-N 2.92Å; E387-E390 PolarHBondContact O-N 2.98Å; E387-A391 VanDerWaalsContact O-CB 3.27Å; E387-A391 WeakPolarHBondContact O-CB 3.41Å; E387-A391 PolarHBondContact O-N 3.48Å |
| 388 | K | 85.9 | Confident | 83.8 | Confident | 158 Ų | 158 | 102.5 Ų | 102.5 | 69% | 0.687 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -64.8 | -40.7 | 176.2 | 179.6 | -175.8 | 175.1 | -169.5 | 0 | 111.9 | Q384 E385 L386 H392 | Q384-K388 WeakPolarHBondContact O-CB 3.41Å; Q384-K388 PolarHBondContact O-N 3.47Å; E385-K388 PolarHBondContact O-N 2.99Å; L386-K388 VanDerWaalsContact C-N 3.35Å; L386-K388 PolarHBondContact O-N 2.87Å; K388-H392 WeakPolarHBondContact O-CB 3.28Å; K388-H392 PolarHBondContact O-N 2.89Å |
| 389 | G | 86.3 | Confident | 81.9 | Confident | 40 Ų | 40 | 107.4 Ų | 107.4 | 41% | 0.412 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | E385 L386 R393 | E385-G389 PolarHBondContact O-N 3.45Å; L386-G389 PolarHBondContact O-N 3.02Å; G389-R393 WeakPolarHBondContact O-CB 3.31Å; G389-R393 PolarHBondContact O-N 3.16Å |
| 390 | E | 83.4 | Confident | 80.2 | Confident | 96 Ų | 96 | 108 Ų | 108 | 45% | 0.449 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.1 | -47.1 | 173.1 | 177.3 | 141.7 | -108.6 | 0 | 0 | 111.8 | L386 E387 H392 R393 E394 | L386-E390 WeakPolarHBondContact O-CB 3.35Å; L386-E390 PolarHBondContact O-N 2.93Å; E387-E390 PolarHBondContact O-N 2.98Å; E390-H392 VanDerWaalsContact C-N 3.31Å; E390-H392 PolarHBondContact O-N 3.43Å; E390-R393 VanDerWaalsContact CD-NH2 3.32Å; E390-R393 WeakPolarHBondContact O-CB 3.48Å; E390-R393 PolarHBondContact O-N 2.83Å; E390-R393 IonicContact OE1-CZ 2.67Å; E390-R393 IonicContact OE1-NH2 3.82Å; E390-R393 PolarHBondContact OE1-NH2 3.22Å; E390-E394 WeakPolarHBondContact O-CB 3.38Å; E390-E394 PolarHBondContact O-N 3.35Å |
| 391 | A | 78.3 | Confident | 78.6 | Confident | 8 Ų | 8 | 105 Ų | 105 | 7% | 0.066 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -54.9 | -47.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | E387 R393 E394 G395 L396 Y398 | E387-A391 VanDerWaalsContact O-CB 3.27Å; E387-A391 WeakPolarHBondContact O-CB 3.41Å; E387-A391 PolarHBondContact O-N 3.48Å; A391-R393 PolarHBondContact O-N 3.39Å; A391-E394 CarbonylContact O-C 3.56Å; A391-E394 PolarHBondContact O-N 2.95Å; A391-G395 PolarHBondContact O-N 3.47Å; A391-L396 CarbonylContact C-O 3.59Å; A391-L396 VanDerWaalsContact C-O 3.31Å; A391-L396 WeakPolarHBondContact CB-O 3.33Å; A391-L396 PolarHBondContact O-N 3.17Å; A391-Y398 HydrophobicContact CB-CD2 3.48Å; A391-Y398 VanDerWaalsContact CB-CD2 3.48Å; A391-Y398 HydrophobicContact CB-CE2 3.68Å; A391-Y398 HydrophobicContact CB-CG 4.44Å |
| 392 | H | 77.6 | Confident | 77.1 | Confident | 170 Ų | 170 | 110.1 Ų | 110.1 | 79% | 0.787 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.6 | -37.8 | 180 | -154.1 | 70.3 | 0 | 0 | 0 | 112.4 | K388 E390 G395 | K388-H392 WeakPolarHBondContact O-CB 3.28Å; K388-H392 PolarHBondContact O-N 2.89Å; E390-H392 VanDerWaalsContact C-N 3.31Å; E390-H392 PolarHBondContact O-N 3.43Å; H392-G395 PolarHBondContact O-N 3.05Å |
| 393 | R | 79.3 | Confident | 75.4 | Confident | 183 Ų | 183 | 110.3 Ų | 110.3 | 69% | 0.691 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.4 | -35.7 | 172.8 | 173.3 | 177.7 | 65.1 | -139.5 | 4 | 112.8 | G389 E390 A391 G395 | G389-R393 WeakPolarHBondContact O-CB 3.31Å; G389-R393 PolarHBondContact O-N 3.16Å; E390-R393 VanDerWaalsContact CD-NH2 3.32Å; E390-R393 WeakPolarHBondContact O-CB 3.48Å; E390-R393 PolarHBondContact O-N 2.83Å; E390-R393 IonicContact OE1-CZ 2.67Å; E390-R393 IonicContact OE1-NH2 3.82Å; E390-R393 PolarHBondContact OE1-NH2 3.22Å; A391-R393 PolarHBondContact O-N 3.39Å; R393-G395 VanDerWaalsContact C-N 3.35Å |
| 394 | E | 80.3 | Confident | 74.4 | Confident | 118 Ų | 118 | 110 Ų | 110 | 55% | 0.551 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -88.1 | -2.4 | -178.6 | -157.5 | 165 | -146.6 | 0 | 0 | 113 | E390 A391 L396 Y398 | E390-E394 WeakPolarHBondContact O-CB 3.38Å; E390-E394 PolarHBondContact O-N 3.35Å; A391-E394 CarbonylContact O-C 3.56Å; A391-E394 PolarHBondContact O-N 2.95Å; E394-L396 HydrophobicContact CB-CD1 4.38Å; E394-L396 HydrophobicContact CB-CG 4.46Å; E394-L396 HydrophobicContact CG-CD1 3.93Å; E394-L396 HydrophobicContact CG-CG 4.34Å; E394-L396 PolarHBondContact O-N 2.91Å; E394-Y398 PolarHBondContact OE2-OH 2.64Å |
| 395 | G | 72.4 | Confident | 73.6 | Confident | 71 Ų | 71 | 107.6 Ų | 107.6 | 73% | 0.732 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.9 | 13.4 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | A391 H392 R393 | A391-G395 PolarHBondContact O-N 3.47Å; H392-G395 PolarHBondContact O-N 3.05Å; R393-G395 VanDerWaalsContact C-N 3.35Å |
| 396 | L | 64.8 | Low | 72.7 | Confident | 88 Ų | 88 | 107.4 Ų | 107.4 | 46% | 0.461 | 57% | 0.574 | S | S | . | * | | | trans | -100.7 | 151.5 | -177.7 | -65.4 | 174.2 | 0 | 0 | 0 | 110.6 | A391 E394 Y398 | A391-L396 CarbonylContact C-O 3.59Å; A391-L396 VanDerWaalsContact C-O 3.31Å; A391-L396 WeakPolarHBondContact CB-O 3.33Å; A391-L396 PolarHBondContact O-N 3.17Å; E394-L396 HydrophobicContact CB-CD1 4.38Å; E394-L396 HydrophobicContact CB-CG 4.46Å; E394-L396 HydrophobicContact CG-CD1 3.93Å; E394-L396 HydrophobicContact CG-CG 4.34Å; E394-L396 PolarHBondContact O-N 2.91Å; L396-Y398 HydrophobicContact CB-CE1 4.25Å; L396-Y398 HydrophobicContact CD1-CE1 4.04Å; L396-Y398 WeakPolarHBondContact CD1-OH 3.42Å |
| 397 | S | 60 | Low | 72.1 | Confident | 109 Ų | 109 | 103.8 Ų | 103.8 | 76% | 0.762 | 56% | 0.558 | S | S | * | * | | | trans | -119 | 104.5 | 167 | 59.7 | 0 | 0 | 0 | 0 | 109.3 | R399 | S397-R399 PolarHBondContact O-N 3.38Š|
| 398 | Y | 56.4 | Low | 71.9 | Confident | 126 Ų | 126 | 103.3 Ų | 103.3 | 49% | 0.494 | 56% | 0.559 | S | S | . | * | | | trans | -73.1 | 99.3 | 179.8 | -64.2 | -53.6 | 0 | 0 | 0 | 110.2 | A391 E394 L396 T400 | A391-Y398 HydrophobicContact CB-CD2 3.48Å; A391-Y398 VanDerWaalsContact CB-CD2 3.48Å; A391-Y398 HydrophobicContact CB-CE2 3.68Å; A391-Y398 HydrophobicContact CB-CG 4.44Å; E394-Y398 PolarHBondContact OE2-OH 2.64Å; L396-Y398 HydrophobicContact CB-CE1 4.25Å; L396-Y398 HydrophobicContact CD1-CE1 4.04Å; L396-Y398 WeakPolarHBondContact CD1-OH 3.42Å; Y398-T400 PolarHBondContact O-N 2.82Å; Y398-T400 PolarHBondContact O-OG1 3.23Å |
| 399 | R | 58.1 | Low | 71.8 | Confident | 191 Ų | 191 | 100.9 Ų | 100.9 | 72% | 0.721 | 56% | 0.558 | S | S | * | * | | | trans | -76.7 | 73.8 | 163.2 | -83.3 | -70 | -174 | 159.2 | -6.3 | 109.4 | S397 G401 Q402 | S397-R399 PolarHBondContact O-N 3.38Å; R399-G401 PolarHBondContact O-N 2.95Å; R399-Q402 HydrophobicContact CB-CG 4.39Å |
| 400 | T | 62 | Low | 71.5 | Confident | 113 Ų | 113 | 100.2 Ų | 100.2 | 69% | 0.693 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | 134.5 | -175.2 | -46.8 | 0 | 0 | 0 | 0 | 112.2 | Y398 Q402 | Y398-T400 PolarHBondContact O-N 2.82Å; Y398-T400 PolarHBondContact O-OG1 3.23Å; T400-Q402 VanDerWaalsContact C-N 3.3Å; T400-Q402 PolarHBondContact O-N 3.02Å; T400-Q402 VanDerWaalsContact O-N 3.17Å |
| 401 | G | 60.6 | Low | 71.7 | Confident | 42 Ų | 42 | 100.6 Ų | 100.6 | 43% | 0.433 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 0.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | R399 D403 | R399-G401 PolarHBondContact O-N 2.95Å; G401-D403 VanDerWaalsContact C-N 3.33Å; G401-D403 PolarHBondContact O-N 3.45Å |
| 402 | Q | 65.4 | Low | 72.1 | Confident | 137 Ų | 137 | 104.1 Ų | 104.1 | 64% | 0.64 | 56% | 0.562 | S | S | * | * | S | Bend | trans | -74.9 | -13.1 | -172.1 | -62.6 | -153.3 | -68.3 | 0 | 0 | 115.8 | R399 T400 | R399-Q402 HydrophobicContact CB-CG 4.39Å; T400-Q402 VanDerWaalsContact C-N 3.3Å; T400-Q402 PolarHBondContact O-N 3.02Å; T400-Q402 VanDerWaalsContact O-N 3.17Å |
| 403 | D | 61.5 | Low | 72.6 | Confident | 75 Ų | 75 | 98.7 Ų | 98.7 | 40% | 0.401 | 54% | 0.543 | S | S | . | . | | | trans | -132.5 | 81.9 | -177.6 | -164.7 | -16 | 0 | 0 | 0 | 112 | G401 A405 N406 C407 | G401-D403 VanDerWaalsContact C-N 3.33Å; G401-D403 PolarHBondContact O-N 3.45Å; D403-A405 PolarHBondContact OD1-N 3.2Å; D403-A405 VanDerWaalsContact OD1-N 3.15Å; D403-N406 VanDerWaalsContact CG-CB 3.49Å; D403-N406 VanDerWaalsContact OD1-CB 3.3Å; D403-N406 WeakPolarHBondContact OD1-CB 3.26Å; D403-N406 PolarHBondContact OD1-N 2.89Å; D403-N406 WeakPolarHBondContact OD2-CB 3.39Å; D403-C407 VanDerWaalsContact O-CB 3.28Å; D403-C407 WeakPolarHBondContact O-CB 3.36Å; D403-C407 PolarHBondContact O-N 3.35Å |
| 404 | T | 71.8 | Confident | 72.9 | Confident | 75 Ų | 75 | 90.9 Ų | 90.9 | 46% | 0.46 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -8.4 | 172.8 | 50.9 | 0 | 0 | 0 | 0 | 113.4 | C410 R411 A414 | T404-C410 HydrophobicContact CG2-CB 4.42Å; T404-R411 WeakPolarHBondContact O-CB 3.19Å; T404-A414 HydrophobicContact CG2-CB 4.15Å |
| 405 | A | 74.4 | Confident | 73.3 | Confident | 90 Ų | 90 | 88.8 Ų | 88.8 | 74% | 0.744 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88 | -38.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D403 | D403-A405 PolarHBondContact OD1-N 3.2Å; D403-A405 VanDerWaalsContact OD1-N 3.15Å |
| 406 | N | 72.1 | Confident | 74.1 | Confident | 140 Ų | 140 | 90.6 Ų | 90.6 | 75% | 0.749 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113 | -7.1 | -170.5 | -153 | 28.8 | 0 | 0 | 0 | 113.9 | D403 | D403-N406 VanDerWaalsContact CG-CB 3.49Å; D403-N406 VanDerWaalsContact OD1-CB 3.3Å; D403-N406 WeakPolarHBondContact OD1-CB 3.26Å; D403-N406 PolarHBondContact OD1-N 2.89Å; D403-N406 WeakPolarHBondContact OD2-CB 3.39Å |
| 407 | C | 77.8 | Confident | 75.3 | Confident | 44 Ų | 44 | 91.4 Ų | 91.4 | 30% | 0.297 | 51% | 0.51 | S | S | . | . | | | trans | -114.8 | 108.3 | 174.9 | -177.1 | 0 | 0 | 0 | 0 | 111.2 | D403 T409 C410 R411 | D403-C407 VanDerWaalsContact O-CB 3.28Å; D403-C407 WeakPolarHBondContact O-CB 3.36Å; D403-C407 PolarHBondContact O-N 3.35Å; C407-T409 PolarHBondContact O-N 2.87Å; C407-C410 HydrophobicContact CB-CB 3.98Å; C407-C410 PolarHBondContact O-N 3.02Å; C407-C410 VanDerWaalsContact O-N 3.08Å; C407-C410 VanDerWaalsContact SG-SG 3.66Å; C407-R411 PolarHBondContact O-N 3.37Å |
| 408 | D | 81 | Confident | 76.8 | Confident | 95 Ų | 95 | 93.6 Ų | 93.6 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -55.2 | -35.9 | 176.6 | -73.2 | -63.7 | 0 | 0 | 0 | 112.6 | R411 N412 | D408-R411 PolarHBondContact O-N 3.47Å; D408-R411 IonicContact OD1-CZ 3.29Å; D408-R411 IonicContact OD1-NH1 2.71Å; D408-R411 PolarHBondContact OD1-NH1 2.92Å; D408-R411 IonicContact OD1-NH2 3.13Å; D408-R411 PolarHBondContact OD1-NH2 2.79Å; D408-N412 VanDerWaalsContact O-CB 3.27Å; D408-N412 WeakPolarHBondContact O-CB 3.28Å; D408-N412 PolarHBondContact O-N 3.17Å; D408-N412 PolarHBondContact O-ND2 2.93Å; D408-N412 PolarHBondContact O-OD1 2.84Å |
| 409 | T | 83.9 | Confident | 78.3 | Confident | 107 Ų | 107 | 89.1 Ų | 89.1 | 66% | 0.656 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.3 | -46.3 | 176.3 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | C407 N412 S413 | C407-T409 PolarHBondContact O-N 2.87Å; T409-N412 PolarHBondContact O-N 2.87Å; T409-S413 PolarHBondContact O-N 3.05Å; T409-S413 PolarHBondContact O-OG 2.9Å |
| 410 | C | 81.1 | Confident | 80 | Confident | 27 Ų | 27 | 83.3 Ų | 83.3 | 18% | 0.182 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -69.4 | -35.3 | 178.8 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | T404 C407 S413 A414 | T404-C410 HydrophobicContact CG2-CB 4.42Å; C407-C410 HydrophobicContact CB-CB 3.98Å; C407-C410 PolarHBondContact O-N 3.02Å; C407-C410 VanDerWaalsContact O-N 3.08Å; C407-C410 VanDerWaalsContact SG-SG 3.66Å; C410-S413 WeakPolarHBondContact CA-OG 3.26Å; C410-S413 PolarHBondContact O-OG 3.27Å; C410-A414 WeakPolarHBondContact O-CB 3.43Å; C410-A414 PolarHBondContact O-N 2.97Å |
| 411 | R | 86.9 | Confident | 81.5 | Confident | 103 Ų | 103 | 83.3 Ų | 83.3 | 39% | 0.389 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -63.8 | -47.4 | 171.9 | -164.5 | -175.4 | 66.9 | -116.5 | -14.4 | 111 | T404 C407 D408 S413 A414 C415 | T404-R411 WeakPolarHBondContact O-CB 3.19Å; C407-R411 PolarHBondContact O-N 3.37Å; D408-R411 PolarHBondContact O-N 3.47Å; D408-R411 IonicContact OD1-CZ 3.29Å; D408-R411 IonicContact OD1-NH1 2.71Å; D408-R411 PolarHBondContact OD1-NH1 2.92Å; D408-R411 IonicContact OD1-NH2 3.13Å; D408-R411 PolarHBondContact OD1-NH2 2.79Å; R411-S413 PolarHBondContact O-N 2.87Å; R411-A414 PolarHBondContact O-N 2.84Å; R411-C415 PolarHBondContact O-N 2.97Å; R411-C415 PolarHBondContact O-SG 3.46Å |
| 412 | N | 86.9 | Confident | 83 | Confident | 83 Ų | 83 | 85.6 Ų | 85.6 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | -179.8 | -67.8 | -11.5 | 0 | 0 | 0 | 111.8 | D408 T409 C415 I416 | D408-N412 VanDerWaalsContact O-CB 3.27Å; D408-N412 WeakPolarHBondContact O-CB 3.28Å; D408-N412 PolarHBondContact O-N 3.17Å; D408-N412 PolarHBondContact O-ND2 2.93Å; D408-N412 PolarHBondContact O-OD1 2.84Å; T409-N412 PolarHBondContact O-N 2.87Å; N412-C415 PolarHBondContact O-N 3.24Å; N412-I416 WeakPolarHBondContact O-CG1 3.34Å; N412-I416 PolarHBondContact O-N 3.15Å |
| 413 | S | 87.3 | Confident | 84.3 | Confident | 55 Ų | 55 | 81.6 Ų | 81.6 | 39% | 0.385 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 173.6 | 57.3 | 0 | 0 | 0 | 0 | 112.3 | T409 C410 R411 I416 I417 | T409-S413 PolarHBondContact O-N 3.05Å; T409-S413 PolarHBondContact O-OG 2.9Å; C410-S413 WeakPolarHBondContact CA-OG 3.26Å; C410-S413 PolarHBondContact O-OG 3.27Å; R411-S413 PolarHBondContact O-N 2.87Å; S413-I416 PolarHBondContact O-N 2.98Å; S413-I417 WeakPolarHBondContact O-CD1 3.34Å; S413-I417 VanDerWaalsContact O-CG1 3.29Å; S413-I417 WeakPolarHBondContact O-CG1 3.45Å; S413-I417 PolarHBondContact O-N 2.82Å |
| 414 | A | 86.6 | Confident | 85.8 | Confident | 19 Ų | 19 | 83.7 Ų | 83.7 | 16% | 0.157 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -63.7 | -43 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T404 C410 R411 I416 I417 Y418 | T404-A414 HydrophobicContact CG2-CB 4.15Å; C410-A414 WeakPolarHBondContact O-CB 3.43Å; C410-A414 PolarHBondContact O-N 2.97Å; R411-A414 PolarHBondContact O-N 2.84Å; A414-I416 VanDerWaalsContact C-N 3.32Å; A414-I416 PolarHBondContact O-N 2.97Å; A414-I417 PolarHBondContact O-N 3.24Å; A414-Y418 HydrophobicContact CB-CD2 4.43Å; A414-Y418 HydrophobicContact CB-CE2 4.21Å; A414-Y418 WeakPolarHBondContact O-CD2 3.46Å; A414-Y418 PolarHBondContact O-N 3.48Å |
| 415 | C | 88.2 | Confident | 86.9 | Confident | 74 Ų | 74 | 84.8 Ų | 84.8 | 50% | 0.5 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -59.8 | -40.2 | 174.5 | -67.4 | 0 | 0 | 0 | 0 | 112.5 | R411 N412 S419 | R411-C415 PolarHBondContact O-N 2.97Å; R411-C415 PolarHBondContact O-SG 3.46Å; N412-C415 PolarHBondContact O-N 3.24Å; C415-S419 WeakPolarHBondContact O-CB 3.22Å; C415-S419 PolarHBondContact O-N 3.17Å; C415-S419 PolarHBondContact O-OG 3.07Å |
| 416 | I | 89.7 | Confident | 87.7 | Confident | 110 Ų | 110 | 84.3 Ų | 84.3 | 56% | 0.564 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -63.3 | -50 | 175.3 | -68.1 | 163.9 | 0 | 0 | 0 | 110.2 | N412 S413 A414 Y418 S419 V420 | N412-I416 WeakPolarHBondContact O-CG1 3.34Å; N412-I416 PolarHBondContact O-N 3.15Å; S413-I416 PolarHBondContact O-N 2.98Å; A414-I416 VanDerWaalsContact C-N 3.32Å; A414-I416 PolarHBondContact O-N 2.97Å; I416-Y418 PolarHBondContact O-N 3.22Å; I416-S419 PolarHBondContact O-N 3.11Å; I416-S419 PolarHBondContact O-OG 2.98Å; I416-V420 WeakPolarHBondContact O-CG2 3.41Å; I416-V420 PolarHBondContact O-N 2.85Å |
| 417 | I | 89.3 | Confident | 88.6 | Confident | 105 Ų | 105 | 82.6 Ų | 82.6 | 54% | 0.538 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -55.7 | -53.2 | 178.9 | -68.3 | 161.8 | 0 | 0 | 0 | 110.6 | S413 A414 S419 V420 E421 | S413-I417 WeakPolarHBondContact O-CD1 3.34Å; S413-I417 VanDerWaalsContact O-CG1 3.29Å; S413-I417 WeakPolarHBondContact O-CG1 3.45Å; S413-I417 PolarHBondContact O-N 2.82Å; A414-I417 PolarHBondContact O-N 3.24Å; I417-S419 VanDerWaalsContact C-N 3.3Å; I417-S419 PolarHBondContact O-N 3.08Å; I417-V420 PolarHBondContact O-N 2.97Å; I417-E421 WeakPolarHBondContact O-CB 3.06Å; I417-E421 PolarHBondContact O-N 2.67Å |
| 418 | Y | 91.1 | Very high | 89.1 | Confident | 155 Ų | 155 | 85.3 Ų | 85.3 | 61% | 0.608 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -64.4 | -31.3 | -179.9 | -67.9 | -51.4 | 0 | 0 | 0 | 113.5 | A414 I416 E421 L422 | A414-Y418 HydrophobicContact CB-CD2 4.43Å; A414-Y418 HydrophobicContact CB-CE2 4.21Å; A414-Y418 WeakPolarHBondContact O-CD2 3.46Å; A414-Y418 PolarHBondContact O-N 3.48Å; I416-Y418 PolarHBondContact O-N 3.22Å; Y418-E421 WeakPolarHBondContact CD1-OE2 3.33Å; Y418-L422 WeakPolarHBondContact O-CB 3.27Å; Y418-L422 PolarHBondContact O-N 2.66Å |
| 419 | S | 89.4 | Confident | 89.6 | Confident | 32 Ų | 32 | 85.4 Ų | 85.4 | 22% | 0.224 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -68.4 | -39.5 | 174.7 | 67.2 | 0 | 0 | 0 | 0 | 112.5 | C415 I416 I417 D423 | C415-S419 WeakPolarHBondContact O-CB 3.22Å; C415-S419 PolarHBondContact O-N 3.17Å; C415-S419 PolarHBondContact O-OG 3.07Å; I416-S419 PolarHBondContact O-N 3.11Å; I416-S419 PolarHBondContact O-OG 2.98Å; I417-S419 VanDerWaalsContact C-N 3.3Å; I417-S419 PolarHBondContact O-N 3.08Å; S419-D423 PolarHBondContact O-N 3.11Å |
| 420 | V | 93.4 | Very high | 90 | Very high | 68 Ų | 68 | 87.1 Ų | 87.1 | 41% | 0.412 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -72.7 | -40.3 | 177.3 | 171.9 | 0 | 0 | 0 | 0 | 111 | I416 I417 L422 D423 F424 | I416-V420 WeakPolarHBondContact O-CG2 3.41Å; I416-V420 PolarHBondContact O-N 2.85Å; I417-V420 PolarHBondContact O-N 2.97Å; V420-L422 VanDerWaalsContact C-N 3.33Å; V420-L422 PolarHBondContact O-N 3.24Å; V420-D423 PolarHBondContact O-N 2.94Å; V420-F424 HydrophobicContact CG1-CD2 3.7Å; V420-F424 HydrophobicContact CG1-CE2 3.47Å; V420-F424 VanDerWaalsContact CG1-CE2 3.47Å; V420-F424 WeakPolarHBondContact O-CD2 3.41Å; V420-F424 PolarHBondContact O-N 3.26Å |
| 421 | E | 92.8 | Very high | 90.3 | Very high | 113 Ų | 113 | 90.2 Ų | 90.2 | 53% | 0.528 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61 | -40.3 | 173.7 | -173.3 | 178.9 | -175.6 | 0 | 0 | 111.8 | I417 Y418 F424 K425 | I417-E421 WeakPolarHBondContact O-CB 3.06Å; I417-E421 PolarHBondContact O-N 2.67Å; Y418-E421 WeakPolarHBondContact CD1-OE2 3.33Å; E421-F424 PolarHBondContact O-N 3.41Å; E421-K425 WeakPolarHBondContact O-CB 3.44Å; E421-K425 PolarHBondContact O-N 2.96Å |
| 422 | L | 92 | Very high | 90.4 | Very high | 91 Ų | 91 | 90.3 Ų | 90.3 | 48% | 0.476 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -70.3 | -37 | 175.6 | -178.2 | 61.8 | 0 | 0 | 0 | 112.8 | Y418 V420 K425 Q426 | Y418-L422 WeakPolarHBondContact O-CB 3.27Å; Y418-L422 PolarHBondContact O-N 2.66Å; V420-L422 VanDerWaalsContact C-N 3.33Å; V420-L422 PolarHBondContact O-N 3.24Å; L422-K425 PolarHBondContact O-N 3.06Å; L422-Q426 WeakPolarHBondContact O-CB 3.38Å; L422-Q426 WeakPolarHBondContact O-CG 3.47Å; L422-Q426 PolarHBondContact O-N 2.8Å; L422-Q426 PolarHBondContact O-NE2 3.47Å |
| 423 | D | 93.4 | Very high | 90.4 | Very high | 52 Ų | 52 | 89.5 Ų | 89.5 | 28% | 0.278 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.4 | -41.2 | 173.6 | -86 | 3.6 | 0 | 0 | 0 | 111.2 | S108 S419 V420 Q426 Q427 | S108-D423 WeakPolarHBondContact CB-OD2 3.43Å; S108-D423 PolarHBondContact OG-OD2 3.4Å; S419-D423 PolarHBondContact O-N 3.11Å; V420-D423 PolarHBondContact O-N 2.94Å; D423-Q426 PolarHBondContact O-N 3.46Å; D423-Q427 WeakPolarHBondContact O-CG 3.46Å; D423-Q427 PolarHBondContact O-N 3.34Å; D423-Q427 VanDerWaalsContact O-N 3.13Å |
| 424 | F | 92.9 | Very high | 90.3 | Very high | 120 Ų | 120 | 90.3 Ų | 90.3 | 53% | 0.526 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 171.8 | -80 | -57.1 | 0 | 0 | 0 | 112 | V420 E421 Q426 Q427 E428 | V420-F424 HydrophobicContact CG1-CD2 3.7Å; V420-F424 HydrophobicContact CG1-CE2 3.47Å; V420-F424 VanDerWaalsContact CG1-CE2 3.47Å; V420-F424 WeakPolarHBondContact O-CD2 3.41Å; V420-F424 PolarHBondContact O-N 3.26Å; E421-F424 PolarHBondContact O-N 3.41Å; F424-Q426 VanDerWaalsContact C-N 3.3Å; F424-Q426 PolarHBondContact O-N 3.11Å; F424-Q427 WeakPolarHBondContact O-CA 3.09Å; F424-Q427 WeakPolarHBondContact O-CB 3.39Å; F424-Q427 PolarHBondContact O-N 3.14Å; F424-E428 PolarHBondContact O-N 3.26Å |
| 425 | K | 93.6 | Very high | 90.1 | Very high | 98 Ų | 98 | 93.4 Ų | 93.4 | 43% | 0.426 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -57.6 | -43.4 | 176.5 | -173.6 | 55 | 57.2 | -168.7 | 0 | 111.7 | E421 L422 Q427 E428 D429 | E421-K425 WeakPolarHBondContact O-CB 3.44Å; E421-K425 PolarHBondContact O-N 2.96Å; L422-K425 PolarHBondContact O-N 3.06Å; K425-Q427 VanDerWaalsContact C-N 3.25Å; K425-Q427 PolarHBondContact O-N 3.15Å; K425-E428 WeakPolarHBondContact CE-OE2 3.31Å; K425-E428 IonicContact NZ-OE2 3.64Å; K425-E428 PolarHBondContact NZ-OE2 3.06Å; K425-E428 PolarHBondContact O-N 3.16Å; K425-D429 WeakPolarHBondContact O-CB 3.46Å; K425-D429 PolarHBondContact O-N 3.22Å |
| 426 | Q | 92.2 | Very high | 89.9 | Confident | 79 Ų | 79 | 97.5 Ų | 97.5 | 37% | 0.369 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66 | -21.4 | 174.2 | -76.9 | 177.8 | 75.4 | 0 | 0 | 114.5 | L422 D423 F424 K430 | L422-Q426 WeakPolarHBondContact O-CB 3.38Å; L422-Q426 WeakPolarHBondContact O-CG 3.47Å; L422-Q426 PolarHBondContact O-N 2.8Å; L422-Q426 PolarHBondContact O-NE2 3.47Å; D423-Q426 PolarHBondContact O-N 3.46Å; F424-Q426 VanDerWaalsContact C-N 3.3Å; F424-Q426 PolarHBondContact O-N 3.11Å; Q426-K430 WeakPolarHBondContact O-CD 3.27Å; Q426-K430 VanDerWaalsContact O-CE 3.23Å; Q426-K430 WeakPolarHBondContact O-CE 3.38Å; Q426-K430 VanDerWaalsContact O-CG 3.23Å; Q426-K430 WeakPolarHBondContact O-CG 3.46Å |
| 427 | Q | 90.7 | Very high | 89.4 | Confident | 105 Ų | 105 | 100.1 Ų | 100.1 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -81.3 | -44.1 | 172.3 | -70.3 | 171.7 | 22.4 | 0 | 0 | 110.5 | D423 F424 K425 D429 K430 L431 | D423-Q427 WeakPolarHBondContact O-CG 3.46Å; D423-Q427 PolarHBondContact O-N 3.34Å; D423-Q427 VanDerWaalsContact O-N 3.13Å; F424-Q427 WeakPolarHBondContact O-CA 3.09Å; F424-Q427 WeakPolarHBondContact O-CB 3.39Å; F424-Q427 PolarHBondContact O-N 3.14Å; K425-Q427 VanDerWaalsContact C-N 3.25Å; K425-Q427 PolarHBondContact O-N 3.15Å; Q427-D429 PolarHBondContact O-N 3.26Å; Q427-K430 PolarHBondContact O-N 3.26Å; Q427-L431 WeakPolarHBondContact O-CB 3.42Å; Q427-L431 PolarHBondContact O-N 2.83Å |
| 428 | E | 89.2 | Confident | 88.6 | Confident | 101 Ų | 101 | 101.1 Ų | 101.1 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 172.3 | -69.3 | 178.4 | 174.4 | 0 | 0 | 111.9 | F424 K425 K430 L431 Q432 | F424-E428 PolarHBondContact O-N 3.26Å; K425-E428 WeakPolarHBondContact CE-OE2 3.31Å; K425-E428 IonicContact NZ-OE2 3.64Å; K425-E428 PolarHBondContact NZ-OE2 3.06Å; K425-E428 PolarHBondContact O-N 3.16Å; E428-K430 PolarHBondContact O-N 3.22Å; E428-L431 CarbonylContact O-C 3.31Å; E428-L431 PolarHBondContact O-N 2.96Å; E428-Q432 WeakPolarHBondContact O-CB 3.45Å; E428-Q432 WeakPolarHBondContact O-CG 3.46Å; E428-Q432 PolarHBondContact O-N 3.47Å |
| 429 | D | 91.9 | Very high | 87 | Confident | 96 Ų | 96 | 100.4 Ų | 100.4 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.9 | -23.2 | -179.9 | -69.6 | -22.9 | 0 | 0 | 0 | 113 | K425 Q427 P433 | K425-D429 WeakPolarHBondContact O-CB 3.46Å; K425-D429 PolarHBondContact O-N 3.22Å; Q427-D429 PolarHBondContact O-N 3.26Å; D429-P433 WeakPolarHBondContact O-CD 3.38Å |
| 430 | K | 91.8 | Very high | 85.2 | Confident | 143 Ų | 143 | 103 Ų | 103 | 62% | 0.622 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -84.7 | -29.7 | 172.8 | -70 | 166 | -165.3 | 158.2 | 0 | 112.3 | Q426 Q427 E428 | Q426-K430 WeakPolarHBondContact O-CD 3.27Å; Q426-K430 VanDerWaalsContact O-CE 3.23Å; Q426-K430 WeakPolarHBondContact O-CE 3.38Å; Q426-K430 VanDerWaalsContact O-CG 3.23Å; Q426-K430 WeakPolarHBondContact O-CG 3.46Å; Q427-K430 PolarHBondContact O-N 3.26Å; E428-K430 PolarHBondContact O-N 3.22Å |
| 431 | L | 87.1 | Confident | 83.1 | Confident | 93 Ų | 93 | 107.4 Ų | 107.4 | 49% | 0.487 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -81.2 | -33.2 | 177.6 | -174.1 | 59.8 | 0 | 0 | 0 | 112.2 | Q427 E428 V434 L435 | Q427-L431 WeakPolarHBondContact O-CB 3.42Å; Q427-L431 PolarHBondContact O-N 2.83Å; E428-L431 CarbonylContact O-C 3.31Å; E428-L431 PolarHBondContact O-N 2.96Å; L431-V434 HydrophobicContact CD1-CB 4.44Å; L431-V434 WeakPolarHBondContact O-CA 3.47Å; L431-V434 WeakPolarHBondContact O-CB 3.36Å; L431-V434 PolarHBondContact O-N 2.98Å; L431-L435 HydrophobicContact CD1-CG 4.41Å; L431-L435 HydrophobicContact CD2-CD1 4.32Å; L431-L435 HydrophobicContact CG-CD1 3.95Å; L431-L435 HydrophobicContact CG-CG 4.04Å; L431-L435 PolarHBondContact O-N 3.31Å |
| 432 | Q | 87.8 | Confident | 81 | Confident | 105 Ų | 105 | 110.1 Ų | 110.1 | 49% | 0.491 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -48.1 | -51.7 | 176.9 | -89.8 | -84.1 | -8.8 | 0 | 0 | 113.2 | E428 V434 L435 R436 | E428-Q432 WeakPolarHBondContact O-CB 3.45Å; E428-Q432 WeakPolarHBondContact O-CG 3.46Å; E428-Q432 PolarHBondContact O-N 3.47Å; Q432-V434 PolarHBondContact O-N 2.94Å; Q432-L435 PolarHBondContact O-N 2.94Å; Q432-R436 WeakPolarHBondContact O-CB 3.45Å; Q432-R436 WeakPolarHBondContact O-CG 3.2Å; Q432-R436 PolarHBondContact O-N 3.5Å |
| 433 | P | 87.1 | Confident | 79 | Confident | 66 Ų | 66 | 113.5 Ų | 113.5 | 43% | 0.429 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -63.4 | -23.5 | 174.8 | -24.8 | 34.6 | 0 | 0 | 0 | 115 | D429 K437 | D429-P433 WeakPolarHBondContact O-CD 3.38Å; P433-K437 WeakPolarHBondContact O-CD 3.3Å; P433-K437 WeakPolarHBondContact O-CG 3.44Å; P433-K437 PolarHBondContact O-N 3.42Å |
| 434 | V | 87 | Confident | 76.9 | Confident | 71 Ų | 71 | 116.3 Ų | 116.3 | 43% | 0.43 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -80 | -47.2 | 176 | -175.6 | 0 | 0 | 0 | 0 | 109.6 | L431 Q432 R436 K437 L438 | L431-V434 HydrophobicContact CD1-CB 4.44Å; L431-V434 WeakPolarHBondContact O-CA 3.47Å; L431-V434 WeakPolarHBondContact O-CB 3.36Å; L431-V434 PolarHBondContact O-N 2.98Å; Q432-V434 PolarHBondContact O-N 2.94Å; V434-R436 VanDerWaalsContact C-N 3.32Å; V434-R436 PolarHBondContact O-N 2.95Å; V434-K437 CarbonylContact O-C 3.57Å; V434-K437 WeakPolarHBondContact O-CA 3.4Å; V434-K437 WeakPolarHBondContact O-CB 3.48Å; V434-K437 PolarHBondContact O-N 3.44Å; V434-L438 HydrophobicContact CG1-CD1 4.08Å; V434-L438 HydrophobicContact CG1-CG 4.48Å; V434-L438 WeakPolarHBondContact O-CG 3.45Å; V434-L438 PolarHBondContact O-N 2.83Å |
| 435 | L | 80.6 | Confident | 74.7 | Confident | 85 Ų | 85 | 119.4 Ų | 119.4 | 45% | 0.445 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -58.5 | -43.1 | 174.8 | -65.5 | 172.5 | 0 | 0 | 0 | 111.7 | L431 Q432 K437 L438 H439 | L431-L435 HydrophobicContact CD1-CG 4.41Å; L431-L435 HydrophobicContact CD2-CD1 4.32Å; L431-L435 HydrophobicContact CG-CD1 3.95Å; L431-L435 HydrophobicContact CG-CG 4.04Å; L431-L435 PolarHBondContact O-N 3.31Å; Q432-L435 PolarHBondContact O-N 2.94Å; L435-K437 PolarHBondContact O-N 2.91Å; L435-L438 PolarHBondContact O-N 2.77Å; L435-L438 VanDerWaalsContact O-N 3.11Å; L435-H439 PolarHBondContact O-N 2.72Å |
| 436 | R | 84.4 | Confident | 72 | Confident | 159 Ų | 159 | 121.3 Ų | 121.3 | 60% | 0.6 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.4 | -23.5 | 172.9 | -75.5 | -68.3 | -164.2 | 162.8 | 3.3 | 114.1 | Q432 V434 E443 | Q432-R436 WeakPolarHBondContact O-CB 3.45Å; Q432-R436 WeakPolarHBondContact O-CG 3.2Å; Q432-R436 PolarHBondContact O-N 3.5Å; V434-R436 VanDerWaalsContact C-N 3.32Å; V434-R436 PolarHBondContact O-N 2.95Å; R436-E443 IonicContact NH1-OE2 3.81Å |
| 437 | K | 80.1 | Confident | 69.2 | Low | 165 Ų | 165 | 124.3 Ų | 124.3 | 72% | 0.717 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -88.9 | -17.1 | 173.3 | -75.4 | 172.2 | -176.2 | -178.1 | 0 | 113.7 | P433 V434 L435 P440 | P433-K437 WeakPolarHBondContact O-CD 3.3Å; P433-K437 WeakPolarHBondContact O-CG 3.44Å; P433-K437 PolarHBondContact O-N 3.42Å; V434-K437 CarbonylContact O-C 3.57Å; V434-K437 WeakPolarHBondContact O-CA 3.4Å; V434-K437 WeakPolarHBondContact O-CB 3.48Å; V434-K437 PolarHBondContact O-N 3.44Å; L435-K437 PolarHBondContact O-N 2.91Å; K437-P440 WeakPolarHBondContact O-CD 3.48Å |
| 438 | L | 72 | Confident | 66.9 | Low | 127 Ų | 127 | 124.9 Ų | 124.9 | 67% | 0.665 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -90.9 | -21.4 | 173.2 | -66.7 | 172.3 | 0 | 0 | 0 | 112.4 | V434 L435 P440 | V434-L438 HydrophobicContact CG1-CD1 4.08Å; V434-L438 HydrophobicContact CG1-CG 4.48Å; V434-L438 WeakPolarHBondContact O-CG 3.45Å; V434-L438 PolarHBondContact O-N 2.83Å; L435-L438 PolarHBondContact O-N 2.77Å; L435-L438 VanDerWaalsContact O-N 3.11Å; L438-P440 VanDerWaalsContact O-CD 3.28Å; L438-P440 WeakPolarHBondContact O-CD 3.23Å |
| 439 | H | 56.8 | Low | 64.3 | Low | 140 Ų | 140 | 125.3 Ų | 125.3 | 65% | 0.648 | 65% | 0.648 | S | S | * | * | | | trans | -110.3 | 60.9 | 167.3 | -76.8 | -97.2 | 0 | 0 | 0 | 113.7 | L435 | L435-H439 PolarHBondContact O-N 2.72Š|
| 440 | P | 52.7 | Low | 62 | Low | 87 Ų | 87 | 126.2 Ų | 126.2 | 57% | 0.565 | 66% | 0.659 | S | S | * | * | | | trans | -73.3 | 136.5 | 152.3 | 33.5 | -27.5 | 0 | 0 | 0 | 108.3 | K437 L438 | K437-P440 WeakPolarHBondContact O-CD 3.48Å; L438-P440 VanDerWaalsContact O-CD 3.28Å; L438-P440 WeakPolarHBondContact O-CD 3.23Å |
| 441 | I | 49.6 | Very low | 59 | Low | 160 Ų | 160 | 129.8 Ų | 129.8 | 82% | 0.821 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 73.4 | 66.6 | 176.3 | -38.2 | 163.1 | 0 | 0 | 0 | 115.1 | | |
| 442 | E | 47.7 | Very low | 56.4 | Low | 169 Ų | 169 | 129 Ų | 129 | 79% | 0.79 | 67% | 0.673 | S | S | * | * | | | trans | -143.7 | 25.4 | 139.6 | -147.3 | 176.1 | -175.2 | 0 | 0 | 112.9 | | |
| 443 | E | 50 | Low | 54 | Low | 163 Ų | 163 | 132.4 Ų | 132.4 | 76% | 0.762 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -107.4 | 32.7 | 177.3 | -154.5 | 159 | -145 | 0 | 0 | 110.6 | R436 | R436-E443 IonicContact NH1-OE2 3.81Š|
| 444 | T | 49.4 | Very low | 51.3 | Low | 111 Ų | 111 | 137.6 Ų | 137.6 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -138.4 | 110.6 | -178.1 | -65.1 | 0 | 0 | 0 | 0 | 110.2 | | |
| 445 | Q | 46.9 | Very low | 48.6 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 86% | 0.864 | 72% | 0.719 | S | S | * | * | | | trans | 73 | 55.6 | 179.1 | -55.6 | -172.7 | 100.8 | 0 | 0 | 117.7 | | |
| 446 | V | 36.2 | Very low | 46.5 | Very low | 138 Ų | 138 | 146.9 Ų | 146.9 | 84% | 0.836 | 74% | 0.743 | S | S | * | * | | | trans | -88.2 | 118.8 | 137.9 | -179.9 | 0 | 0 | 0 | 0 | 107.6 | | |
| 447 | I | 34.3 | Very low | 44 | Very low | 142 Ų | 142 | 144.2 Ų | 144.2 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | | | trans | -66.5 | 134.9 | 179.8 | -64.2 | 169 | 0 | 0 | 0 | 109.2 | S449 | I447-S449 PolarHBondContact O-N 3.5Å; I447-S449 VanDerWaalsContact O-N 3.09Å |
| 448 | P | 41.6 | Very low | 41.7 | Very low | 117 Ų | 117 | 141.4 Ų | 141.4 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | | | trans | -60.6 | 114.4 | 172.9 | -21.8 | 33 | 0 | 0 | 0 | 110.7 | P450 | P448-P450 WeakPolarHBondContact O-CD 3.33Š|
| 449 | S | 35.9 | Very low | 40 | Very low | 109 Ų | 109 | 141.7 Ų | 141.7 | 76% | 0.762 | 76% | 0.757 | S | S | * | * | | | trans | -61.2 | 124.2 | 175.2 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | I447 | I447-S449 PolarHBondContact O-N 3.5Å; I447-S449 VanDerWaalsContact O-N 3.09Å |
| 450 | P | 42.2 | Very low | 38.9 | Very low | 115 Ų | 115 | 140.9 Ų | 140.9 | 75% | 0.747 | 76% | 0.764 | S | S | * | * | | | trans | -74 | 143.9 | 176.9 | 30.8 | -33.9 | 0 | 0 | 0 | 110.7 | P448 | P448-P450 WeakPolarHBondContact O-CD 3.33Š|
| 451 | Y | 30.4 | Very low | 38.1 | Very low | 219 Ų | 219 | 146.2 Ų | 146.2 | 86% | 0.859 | 78% | 0.778 | S | S | * | * | | | trans | 68.3 | 147.1 | 176.4 | -117.8 | -114.8 | 0 | 0 | 0 | 115.5 | | |
| 452 | S | 31.7 | Very low | 37.3 | Very low | 75 Ų | 75 | 146.5 Ų | 146.5 | 52% | 0.524 | 78% | 0.776 | S | S | . | * | | | cis | -119.2 | 144.3 | 3.9 | -170 | 0 | 0 | 0 | 0 | 112.7 | | |
| 453 | Q | 37.8 | Very low | 36.6 | Very low | 178 Ų | 178 | 146.6 Ų | 146.6 | 83% | 0.832 | 77% | 0.774 | S | S | * | * | | | trans | -113.5 | 78.9 | 175.5 | -172.9 | -177.7 | -0.5 | 0 | 0 | 109.8 | T455 | Q453-T455 VanDerWaalsContact C-N 3.29Å; Q453-T455 PolarHBondContact O-N 2.67Å |
| 454 | E | 29.8 | Very low | 36.1 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | | | trans | -75.4 | 77.1 | 179.8 | -75.9 | -91.3 | 115.8 | 0 | 0 | 112.1 | | |
| 455 | T | 30.9 | Very low | 35.4 | Very low | 111 Ų | 111 | 148 Ų | 148 | 68% | 0.681 | 78% | 0.781 | S | S | * | * | | | trans | 19.1 | 116.5 | 143.7 | -55 | 0 | 0 | 0 | 0 | 119 | Q453 S457 | Q453-T455 VanDerWaalsContact C-N 3.29Å; Q453-T455 PolarHBondContact O-N 2.67Å; T455-S457 PolarHBondContact O-N 3.18Å |
| 456 | Y | 37 | Very low | 34.8 | Very low | 241 Ų | 241 | 145.2 Ų | 145.2 | 95% | 0.945 | 78% | 0.777 | S | S | * | * | | | trans | -71.1 | 103.1 | 161.5 | -84.6 | -96.8 | 0 | 0 | 0 | 112.1 | | |
| 457 | S | 30.7 | Very low | 35 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | | | trans | -166.8 | 144.3 | 162 | -151.7 | 0 | 0 | 0 | 0 | 109.1 | T455 | T455-S457 PolarHBondContact O-N 3.18Š|
| 458 | S | 32.2 | Very low | 35.3 | Very low | 106 Ų | 106 | 145.7 Ų | 145.7 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | | | cis | -153.5 | 167.1 | -1 | -121.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 459 | T | 36.8 | Very low | 35.6 | Very low | 132 Ų | 132 | 150 Ų | 150 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | trans | -82 | 141.8 | 179.8 | 58.9 | 0 | 0 | 0 | 0 | 113.6 | | |
| 460 | P | 32.7 | Very low | 36 | Very low | 124 Ų | 124 | 154.6 Ų | 154.6 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | | | trans | -110 | 114.5 | 152.7 | 30.7 | -19.4 | 0 | 0 | 0 | 111.6 | | |
| 461 | K | 35.4 | Very low | 35.8 | Very low | 199 Ų | 199 | 157.9 Ų | 157.9 | 87% | 0.865 | 80% | 0.796 | S | S | * | * | | | trans | -75.7 | 122.3 | 165.9 | -77.4 | 179 | 176.4 | 173.8 | 0 | 109.8 | | |
| 462 | Q | 32.9 | Very low | 36.2 | Very low | 165 Ų | 165 | 150 Ų | 150 | 77% | 0.771 | 78% | 0.782 | S | S | * | * | | | trans | -154.9 | 120 | 139 | -82.5 | -133.5 | 29.1 | 0 | 0 | 114.1 | | |
| 463 | K | 32.9 | Very low | 36.6 | Very low | 172 Ų | 172 | 157.6 Ų | 157.6 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | 48.3 | 93.3 | 137 | -60 | -174.2 | -177.6 | 174.6 | 0 | 121.7 | | |
| 464 | S | 39.8 | Very low | 36.7 | Very low | 102 Ų | 102 | 160.5 Ų | 160.5 | 71% | 0.713 | 80% | 0.802 | S | S | * | * | | | | 62.1 | 138.6 | 116.7 | 68.9 | 0 | 0 | 0 | 0 | 123.2 | | |
| 465 | K | 35.3 | Very low | 37.4 | Very low | 200 Ų | 200 | 160.4 Ų | 160.4 | 87% | 0.87 | 80% | 0.799 | S | S | * | * | | | trans | 74.2 | 142.8 | 172.4 | -52.7 | -175.4 | 179.2 | -177.9 | 0 | 113.8 | | |
| 466 | T | 34.2 | Very low | 37.7 | Very low | 128 Ų | 128 | 162.3 Ų | 162.3 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | | | cis | -132.3 | 159.6 | 4.3 | -48.4 | 0 | 0 | 0 | 0 | 110.7 | | |
| 467 | E | 40 | Very low | 38.1 | Very low | 187 Ų | 187 | 161.5 Ų | 161.5 | 87% | 0.874 | 80% | 0.8 | S | S | * | * | | | trans | -53.9 | 135.3 | 170.4 | -176.7 | -176.2 | 126.4 | 0 | 0 | 112.7 | | |
| 468 | S | 41.5 | Very low | 38.3 | Very low | 102 Ų | 102 | 165.5 Ų | 165.5 | 71% | 0.713 | 81% | 0.805 | S | S | * | * | | | trans | -149.7 | 142 | 160 | 51.9 | 0 | 0 | 0 | 0 | 110.9 | K470 | S468-K470 PolarHBondContact O-N 3.5Å; S468-K470 VanDerWaalsContact O-N 3.13Å |
| 469 | K | 47.9 | Very low | 38.3 | Very low | 209 Ų | 209 | 171.8 Ų | 171.8 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | | | trans | -76.8 | 99.2 | -161.8 | -168.1 | 168.7 | -177 | 171.3 | 0 | 111.6 | H471 | K469-H471 PolarHBondContact O-N 3.42Š|
| 470 | K | 43.6 | Very low | 38.4 | Very low | 204 Ų | 204 | 173.8 Ų | 173.8 | 89% | 0.887 | 83% | 0.83 | S | S | * | * | | | trans | -60.9 | 108.9 | 177.9 | -70.5 | -176 | 179.8 | 178.8 | 0 | 111 | S468 G472 | S468-K470 PolarHBondContact O-N 3.5Å; S468-K470 VanDerWaalsContact O-N 3.13Å; K470-G472 PolarHBondContact O-N 3.17Å |
| 471 | H | 38.5 | Very low | 38.7 | Very low | 185 Ų | 185 | 176.4 Ų | 176.4 | 86% | 0.856 | 83% | 0.831 | S | S | * | * | | | trans | -63.4 | 126.1 | 162 | -137.2 | -77.5 | 0 | 0 | 0 | 108.1 | K469 R473 | K469-H471 PolarHBondContact O-N 3.42Å; H471-R473 PolarHBondContact O-N 2.9Å |
| 472 | G | 37.7 | Very low | 38.9 | Very low | 54 Ų | 54 | 175.1 Ų | 175.1 | 56% | 0.557 | 83% | 0.829 | S | S | * | * | | | trans | -62.7 | 105.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | K470 W474 | K470-G472 PolarHBondContact O-N 3.17Å; G472-W474 PolarHBondContact O-N 2.75Å; G472-W474 VanDerWaalsContact O-N 3.07Å |
| 473 | R | 42 | Very low | 39.3 | Very low | 234 Ų | 234 | 175.7 Ų | 175.7 | 88% | 0.883 | 83% | 0.832 | S | S | * | * | | | trans | -75 | 93.5 | 168.6 | -178.6 | -175.3 | -73.8 | -123.6 | 3 | 107.2 | H471 K475 | H471-R473 PolarHBondContact O-N 2.9Å; R473-K475 PolarHBondContact O-N 2.83Å; R473-K475 VanDerWaalsContact O-N 3.12Å |
| 474 | W | 38.3 | Very low | 39.7 | Very low | 238 Ų | 238 | 175.9 Ų | 175.9 | 90% | 0.902 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 117 | 169.6 | -69.7 | 70.2 | 0 | 0 | 0 | 107.9 | G472 L476 | G472-W474 PolarHBondContact O-N 2.75Å; G472-W474 VanDerWaalsContact O-N 3.07Å; W474-L476 PolarHBondContact O-N 2.92Å |
| 475 | K | 44.2 | Very low | 39.6 | Very low | 173 Ų | 173 | 180.9 Ų | 180.9 | 75% | 0.752 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 120.4 | 165.6 | -72.7 | -169.3 | 175.3 | -171.7 | 0 | 106.6 | R473 W477 | R473-K475 PolarHBondContact O-N 2.83Å; R473-K475 VanDerWaalsContact O-N 3.12Å; K475-W477 PolarHBondContact O-N 3.05Å |
| 476 | L | 38.6 | Very low | 40 | Very low | 151 Ų | 151 | 179.5 Ų | 179.5 | 79% | 0.791 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 123.3 | 163.2 | -70.6 | 166 | 0 | 0 | 0 | 106.9 | W474 F478 | W474-L476 PolarHBondContact O-N 2.92Å; L476-F478 HydrophobicContact CB-CD2 4.23Å; L476-F478 PolarHBondContact O-N 3.19Å |
| 477 | W | 44.9 | Very low | 40.4 | Very low | 224 Ų | 224 | 183.5 Ų | 183.5 | 85% | 0.848 | 85% | 0.849 | S | S | * | * | | | trans | -85.5 | 100.9 | 171 | -69.6 | 90.2 | 0 | 0 | 0 | 107.7 | K475 | K475-W477 PolarHBondContact O-N 3.05Š|
| 478 | F | 34 | Very low | 40.4 | Very low | 186 Ų | 186 | 183.2 Ų | 183.2 | 82% | 0.816 | 85% | 0.847 | S | S | * | * | | | trans | -131 | 133.9 | 159.6 | -74 | -77.2 | 0 | 0 | 0 | 107.2 | L476 | L476-F478 HydrophobicContact CB-CD2 4.23Å; L476-F478 PolarHBondContact O-N 3.19Å |
| 479 | L | 34.1 | Very low | 40.3 | Very low | 238 Ų | 238 | 190.5 Ų | 190.5 | 100% | 1.246 | 86% | 0.859 | S | S | * | * | | | trans | -121.2 | 0 | 171.9 | -115.3 | 151.8 | 0 | 0 | 0 | 105.8 | | |