| 1 | M | 37.8 | Very low | 43.2 | Very low | 239 Ų | 239 | 134.5 Ų | 134.5 | 100% | 1.177 | 84% | 0.839 | S | S | * | * | | | | 0 | 149.5 | 0 | -73.3 | 177.8 | -83.1 | 0 | 0 | 108.3 | | |
| 2 | L | 42.1 | Very low | 43.7 | Very low | 165 Ų | 165 | 133.3 Ų | 133.3 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | | | trans | 18.7 | 114.2 | 162.2 | -60.9 | 170 | 0 | 0 | 0 | 118.7 | | |
| 3 | A | 41.5 | Very low | 43.6 | Very low | 105 Ų | 105 | 135.8 Ų | 135.8 | 87% | 0.868 | 84% | 0.837 | S | S | * | * | | | trans | -108.6 | 134.6 | 146.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | | |
| 4 | C | 44.8 | Very low | 43.5 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 78% | 0.777 | 84% | 0.835 | S | S | * | * | | | trans | -94.8 | 150 | -174.4 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | | |
| 5 | L | 47.6 | Very low | 43.4 | Very low | 161 Ų | 161 | 141 Ų | 141 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | | | trans | -66.7 | 153.1 | 173.6 | -65.2 | 167.1 | 0 | 0 | 0 | 111.5 | | |
| 6 | P | 47.2 | Very low | 43.4 | Very low | 124 Ų | 124 | 141.6 Ų | 141.6 | 81% | 0.805 | 84% | 0.837 | S | S | * | * | | | | -111.8 | 143.7 | 113.7 | -12.7 | 30.2 | 0 | 0 | 0 | 112.2 | | |
| 7 | G | 41.9 | Very low | 43.4 | Very low | 68 Ų | 68 | 140.2 Ų | 140.2 | 70% | 0.701 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 133 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 8 | P | 44.1 | Very low | 43.3 | Very low | 125 Ų | 125 | 141.9 Ų | 141.9 | 81% | 0.812 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 139.2 | 167.2 | -10.8 | 27 | 0 | 0 | 0 | 110.8 | | |
| 9 | G | 45.5 | Very low | 43.4 | Very low | 76 Ų | 76 | 140.8 Ų | 140.8 | 78% | 0.784 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 147.8 | 154.3 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 10 | D | 40.8 | Very low | 43.6 | Very low | 156 Ų | 156 | 141.7 Ų | 141.7 | 83% | 0.834 | 82% | 0.822 | S | S | * | * | | | trans | -137.8 | 165.2 | -179.3 | -137.7 | -36.2 | 0 | 0 | 0 | 112.7 | | |
| 11 | L | 41.6 | Very low | 43.2 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | | | trans | -93.2 | 163.8 | -153.3 | -79.6 | 164.9 | 0 | 0 | 0 | 115 | | |
| 12 | P | 49.9 | Very low | 43.5 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 78% | 0.779 | 80% | 0.797 | S | S | * | * | | | trans | -76.9 | 131.7 | -167.1 | 29.8 | -35.8 | 0 | 0 | 0 | 113.5 | | |
| 13 | L | 42.5 | Very low | 43.8 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 87% | 0.874 | 79% | 0.794 | S | S | * | * | | | trans | -109.3 | 110.1 | 177.3 | -66 | 179.5 | 0 | 0 | 0 | 112.4 | | |
| 14 | Q | 42.1 | Very low | 43.9 | Very low | 173 Ų | 173 | 132.5 Ų | 132.5 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | | | trans | 13.4 | 116.1 | 157 | -67.1 | 174.9 | -21.2 | 0 | 0 | 118.8 | L16 | Q14-L16 PolarHBondContact O-N 3.38Š|
| 15 | L | 41.7 | Very low | 44 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | | | trans | -57.6 | 115.6 | 156.7 | -79.6 | 135.8 | 0 | 0 | 0 | 110.6 | | |
| 16 | L | 43.9 | Very low | 43.8 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | | | trans | -71.7 | 137.3 | 155.2 | -89.8 | 68.8 | 0 | 0 | 0 | 108.6 | Q14 H18 | Q14-L16 PolarHBondContact O-N 3.38Å; L16-H18 PolarHBondContact O-N 2.85Å |
| 17 | P | 43.2 | Very low | 43.6 | Very low | 118 Ų | 118 | 136.3 Ų | 136.3 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | | | trans | -67 | 109.7 | 174.6 | 27.3 | -32.9 | 0 | 0 | 0 | 109.6 | T19 | P17-T19 PolarHBondContact O-N 3.49Š|
| 18 | H | 40.8 | Very low | 43.5 | Very low | 170 Ų | 170 | 143.6 Ų | 143.6 | 79% | 0.787 | 78% | 0.778 | S | S | * | * | | | trans | -56.8 | 123.7 | 174 | -179.5 | 79.6 | 0 | 0 | 0 | 109.7 | L16 Q20 | L16-H18 PolarHBondContact O-N 2.85Å; H18-Q20 VanDerWaalsContact C-N 3.31Å; H18-Q20 PolarHBondContact O-N 3.13Å |
| 19 | T | 46.3 | Very low | 43.9 | Very low | 122 Ų | 122 | 143.9 Ų | 143.9 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | | | trans | -71.4 | 86.9 | -177.8 | 50.4 | 0 | 0 | 0 | 0 | 110.3 | P17 M21 | P17-T19 PolarHBondContact O-N 3.49Å; T19-M21 VanDerWaalsContact C-N 3.3Å; T19-M21 PolarHBondContact O-N 3.31Å |
| 20 | Q | 46.5 | Very low | 44.1 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | | | trans | -62.1 | 88.5 | 174.7 | -175 | -166.7 | 89 | 0 | 0 | 109.9 | H18 N22 | H18-Q20 VanDerWaalsContact C-N 3.31Å; H18-Q20 PolarHBondContact O-N 3.13Å; Q20-N22 PolarHBondContact O-N 3.41Å |
| 21 | M | 36.1 | Very low | 44.4 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | | | trans | -62.4 | 105 | 166.5 | -84.4 | -69.5 | -70.4 | 0 | 0 | 108.3 | T19 T23 | T19-M21 VanDerWaalsContact C-N 3.3Å; T19-M21 PolarHBondContact O-N 3.31Å; M21-T23 PolarHBondContact O-N 2.86Å |
| 22 | N | 42.6 | Very low | 44.5 | Very low | 130 Ų | 130 | 144.9 Ų | 144.9 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | | | trans | -67.3 | 96.3 | -177.6 | -170.9 | -70.6 | 0 | 0 | 0 | 110.2 | Q20 G24 | Q20-N22 PolarHBondContact O-N 3.41Å; N22-G24 PolarHBondContact O-N 2.84Å; N22-G24 PolarHBondContact OD1-N 3.22Å; N22-G24 VanDerWaalsContact OD1-N 3.13Å |
| 23 | T | 50.1 | Low | 44.4 | Very low | 133 Ų | 133 | 150.6 Ų | 150.6 | 82% | 0.816 | 77% | 0.772 | S | S | * | * | | | trans | -90.9 | 50.6 | 170.4 | 44.1 | 0 | 0 | 0 | 0 | 111 | M21 | M21-T23 PolarHBondContact O-N 2.86Š|
| 24 | G | 42.1 | Very low | 44.4 | Very low | 37 Ų | 37 | 149 Ų | 149 | 38% | 0.381 | 76% | 0.762 | S | S | . | * | | | trans | -55 | 152 | 159.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | N22 Q26 | N22-G24 PolarHBondContact O-N 2.84Å; N22-G24 PolarHBondContact OD1-N 3.22Å; N22-G24 VanDerWaalsContact OD1-N 3.13Å; G24-Q26 PolarHBondContact O-N 2.92Å |
| 25 | P | 48.3 | Very low | 45.1 | Very low | 132 Ų | 132 | 152.3 Ų | 152.3 | 86% | 0.857 | 77% | 0.767 | S | S | * | * | | | trans | -62.2 | 102.1 | -172.3 | 24.5 | -34 | 0 | 0 | 0 | 111 | K27 | P25-K27 VanDerWaalsContact C-N 3.3Å; P25-K27 PolarHBondContact O-N 2.81Å |
| 26 | Q | 43.6 | Very low | 45.8 | Very low | 174 Ų | 174 | 148.8 Ų | 148.8 | 81% | 0.813 | 76% | 0.757 | S | S | * | * | | | trans | -74.1 | 87 | -178.6 | -168.7 | 175.8 | 12.3 | 0 | 0 | 109.5 | G24 W28 | G24-Q26 PolarHBondContact O-N 2.92Å; Q26-W28 PolarHBondContact O-N 2.82Å |
| 27 | K | 41.6 | Very low | 46.4 | Very low | 174 Ų | 174 | 144.9 Ų | 144.9 | 76% | 0.757 | 75% | 0.746 | S | S | * | * | | | trans | -43.2 | 106.3 | 162.9 | 43 | -175.7 | 168.8 | -175.7 | 0 | 109.9 | P25 D29 | P25-K27 VanDerWaalsContact C-N 3.3Å; P25-K27 PolarHBondContact O-N 2.81Å; K27-D29 PolarHBondContact O-N 3.26Å |
| 28 | W | 40.8 | Very low | 48.1 | Very low | 222 Ų | 222 | 144.8 Ų | 144.8 | 84% | 0.841 | 75% | 0.746 | S | S | * | * | | | trans | -89 | 30.2 | -169.9 | 43.5 | -92.1 | 0 | 0 | 0 | 112.3 | Q26 T30 | Q26-W28 PolarHBondContact O-N 2.82Å; W28-T30 PolarHBondContact O-N 3.06Å |
| 29 | D | 51.8 | Low | 49.7 | Very low | 131 Ų | 131 | 144.4 Ų | 144.4 | 70% | 0.701 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.1 | 122.6 | 177.2 | -66.9 | -70.2 | 0 | 0 | 0 | 110.5 | K27 | K27-D29 PolarHBondContact O-N 3.26Š|
| 30 | T | 49.8 | Very low | 51.6 | Low | 136 Ų | 136 | 142.2 Ų | 142.2 | 83% | 0.834 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 70.3 | 52.3 | 177.1 | -34.9 | 0 | 0 | 0 | 0 | 116 | W28 Q32 | W28-T30 PolarHBondContact O-N 3.06Å; T30-Q32 PolarHBondContact O-N 3.22Å |
| 31 | T | 48.3 | Very low | 53.8 | Low | 122 Ų | 122 | 137.7 Ų | 137.7 | 75% | 0.748 | 71% | 0.713 | S | S | * | * | | | trans | -74.8 | 107.6 | 135.3 | -61.6 | 0 | 0 | 0 | 0 | 108.5 | | |
| 32 | Q | 41.8 | Very low | 56.3 | Low | 139 Ų | 139 | 135.5 Ų | 135.5 | 65% | 0.65 | 71% | 0.71 | S | S | * | * | | | trans | -11.1 | 128 | 158.7 | -177.2 | -176.4 | 0.2 | 0 | 0 | 114.3 | T30 M34 | T30-Q32 PolarHBondContact O-N 3.22Å; Q32-M34 HydrophobicContact CG-CG 4.31Å; Q32-M34 PolarHBondContact O-N 3.01Å |
| 33 | R | 48.4 | Very low | 58.6 | Low | 241 Ų | 241 | 132.6 Ų | 132.6 | 91% | 0.909 | 71% | 0.705 | S | S | * | * | | | trans | -71 | 70.8 | 163.2 | -62.1 | -140.5 | 81.2 | 171 | 6.4 | 110 | R35 | R33-R35 PolarHBondContact O-N 2.99Š|
| 34 | M | 42.8 | Very low | 60.6 | Low | 134 Ų | 134 | 131.6 Ų | 131.6 | 66% | 0.66 | 69% | 0.691 | S | S | * | * | | | trans | -38.6 | 127.3 | 153.7 | -73.1 | -82.5 | -83.8 | 0 | 0 | 107 | Q32 S36 | Q32-M34 HydrophobicContact CG-CG 4.31Å; Q32-M34 PolarHBondContact O-N 3.01Å; M34-S36 PolarHBondContact O-N 3.26Å |
| 35 | R | 56.3 | Low | 62.9 | Low | 242 Ų | 242 | 134.4 Ų | 134.4 | 91% | 0.913 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 116.2 | -179.7 | -87.9 | 179.4 | 167.2 | 171.6 | -4.7 | 108.1 | R33 A37 | R33-R35 PolarHBondContact O-N 2.99Å; R35-A37 PolarHBondContact O-N 3.48Å |
| 36 | S | 57.5 | Low | 64.9 | Low | 102 Ų | 102 | 131.8 Ų | 131.8 | 71% | 0.713 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -48 | 127 | 166 | 47.9 | 0 | 0 | 0 | 0 | 106.8 | M34 | M34-S36 PolarHBondContact O-N 3.26Š|
| 37 | A | 56.4 | Low | 67.1 | Low | 68 Ų | 68 | 126.2 Ų | 126.2 | 56% | 0.562 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -51 | 132.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | R35 F39 | R35-A37 PolarHBondContact O-N 3.48Å; A37-F39 WeakPolarHBondContact CB-O 3.21Å; A37-F39 PolarHBondContact O-N 3.36Å |
| 38 | P | 77.7 | Confident | 69.3 | Low | 117 Ų | 117 | 125.1 Ų | 125.1 | 76% | 0.76 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -66.7 | -0.1 | -175.6 | 26.2 | -34.1 | 0 | 0 | 0 | 113.3 | | |
| 39 | F | 74.3 | Confident | 71.5 | Confident | 162 Ų | 162 | 117 Ų | 117 | 71% | 0.711 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -126.8 | 138.2 | 171.5 | -52.1 | -73.8 | 0 | 0 | 0 | 108.2 | A37 | A37-F39 WeakPolarHBondContact CB-O 3.21Å; A37-F39 PolarHBondContact O-N 3.36Å |
| 40 | P | 86.9 | Confident | 73.2 | Confident | 75 Ų | 75 | 116.8 Ų | 116.8 | 49% | 0.487 | 62% | 0.624 | S | S | . | * | | | trans | -62.9 | 146 | 178.6 | 28.1 | -35.8 | 0 | 0 | 0 | 111.2 | E44 L45 | P40-E44 HydrophobicContact CB-CB 4.19Å; P40-L45 HydrophobicContact CB-CD2 4.27Å; P40-L45 HydrophobicContact CB-CG 4.19Å; P40-L45 HydrophobicContact CG-CD1 4.32Å; P40-L45 HydrophobicContact CG-CD2 3.64Å; P40-L45 HydrophobicContact CG-CG 3.89Å |
| 41 | T | 91.8 | Very high | 75.1 | Confident | 63 Ų | 63 | 118 Ų | 118 | 39% | 0.387 | 62% | 0.618 | S | S | . | * | | | trans | -66.5 | 157.8 | 174.2 | 62.6 | 0 | 0 | 0 | 0 | 111.3 | A43 E44 L45 | T41-A43 PolarHBondContact O-N 2.73Å; T41-A43 VanDerWaalsContact O-N 3.17Å; T41-E44 VanDerWaalsContact CB-OE2 3.31Å; T41-E44 WeakPolarHBondContact CB-OE2 3.4Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.45Å; T41-E44 PolarHBondContact N-OE2 2.88Å; T41-E44 PolarHBondContact O-N 3.3Å; T41-E44 VanDerWaalsContact O-N 3.08Å; T41-E44 WeakPolarHBondContact OG1-CG 3.46Å; T41-E44 PolarHBondContact OG1-N 3.04Å; T41-E44 PolarHBondContact OG1-OE2 3.35Å; T41-L45 PolarHBondContact O-N 3.2Å |
| 42 | P | 90.6 | Very high | 76.9 | Confident | 111 Ų | 111 | 115 Ų | 115 | 72% | 0.721 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -56 | -31.8 | 174.4 | -27 | 35.9 | 0 | 0 | 0 | 113.7 | D46 | P42-D46 WeakPolarHBondContact O-CB 3.4Å; P42-D46 PolarHBondContact O-N 3.32Å |
| 43 | A | 90.8 | Very high | 78.8 | Confident | 70 Ų | 70 | 111.9 Ų | 111.9 | 58% | 0.579 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.8 | -38.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | T41 D46 A47 | T41-A43 PolarHBondContact O-N 2.73Å; T41-A43 VanDerWaalsContact O-N 3.17Å; A43-D46 PolarHBondContact O-N 2.92Å; A43-A47 VanDerWaalsContact O-CB 3.29Å; A43-A47 WeakPolarHBondContact O-CB 3.46Å; A43-A47 PolarHBondContact O-N 2.98Å |
| 44 | E | 91.1 | Very high | 80.2 | Confident | 111 Ų | 111 | 107.2 Ų | 107.2 | 52% | 0.519 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -68.8 | -35.6 | 174.1 | -71.6 | 161.8 | 127.9 | 0 | 0 | 111.7 | P40 T41 Y48 | P40-E44 HydrophobicContact CB-CB 4.19Å; T41-E44 VanDerWaalsContact CB-OE2 3.31Å; T41-E44 WeakPolarHBondContact CB-OE2 3.4Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.45Å; T41-E44 PolarHBondContact N-OE2 2.88Å; T41-E44 PolarHBondContact O-N 3.3Å; T41-E44 VanDerWaalsContact O-N 3.08Å; T41-E44 WeakPolarHBondContact OG1-CG 3.46Å; T41-E44 PolarHBondContact OG1-N 3.04Å; T41-E44 PolarHBondContact OG1-OE2 3.35Å; E44-Y48 VanDerWaalsContact O-CB 3.29Å; E44-Y48 WeakPolarHBondContact O-CB 3.29Å; E44-Y48 PolarHBondContact O-N 3.43Å |
| 45 | L | 90 | Very high | 82 | Confident | 96 Ų | 96 | 106.3 Ų | 106.3 | 50% | 0.503 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.4 | -42.4 | 173.4 | -71.5 | 174.1 | 0 | 0 | 0 | 112.4 | P40 T41 Y48 A49 | P40-L45 HydrophobicContact CB-CD2 4.27Å; P40-L45 HydrophobicContact CB-CG 4.19Å; P40-L45 HydrophobicContact CG-CD1 4.32Å; P40-L45 HydrophobicContact CG-CD2 3.64Å; P40-L45 HydrophobicContact CG-CG 3.89Å; T41-L45 PolarHBondContact O-N 3.2Å; L45-Y48 PolarHBondContact O-N 2.87Å; L45-A49 WeakPolarHBondContact O-CB 3.32Å; L45-A49 PolarHBondContact O-N 2.93Å |
| 46 | D | 91.3 | Very high | 82.8 | Confident | 78 Ų | 78 | 99.6 Ų | 99.6 | 42% | 0.417 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.3 | -42.1 | 174.1 | 170 | 65.6 | 0 | 0 | 0 | 112.1 | P42 A43 Y48 A49 K50 | P42-D46 WeakPolarHBondContact O-CB 3.4Å; P42-D46 PolarHBondContact O-N 3.32Å; A43-D46 PolarHBondContact O-N 2.92Å; D46-Y48 VanDerWaalsContact C-N 3.35Å; D46-Y48 PolarHBondContact O-N 3.47Å; D46-A49 PolarHBondContact O-N 3.11Å; D46-K50 VanDerWaalsContact CG-NZ 3.29Å; D46-K50 WeakPolarHBondContact O-CB 3.37Å; D46-K50 WeakPolarHBondContact O-CG 3.35Å; D46-K50 PolarHBondContact O-N 3.18Å; D46-K50 WeakPolarHBondContact OD1-CE 3.47Å; D46-K50 IonicContact OD1-NZ 3.15Å; D46-K50 PolarHBondContact OD1-NZ 3.14Å; D46-K50 VanDerWaalsContact OD1-NZ 3.15Å; D46-K50 WeakPolarHBondContact OD2-CE 3.34Å; D46-K50 IonicContact OD2-NZ 2.66Å; D46-K50 PolarHBondContact OD2-NZ 3.41Å |
| 47 | A | 89.7 | Confident | 83.8 | Confident | 57 Ų | 57 | 102.5 Ų | 102.5 | 47% | 0.471 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.6 | -40.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A43 K51 | A43-A47 VanDerWaalsContact O-CB 3.29Å; A43-A47 WeakPolarHBondContact O-CB 3.46Å; A43-A47 PolarHBondContact O-N 2.98Å; A47-K51 WeakPolarHBondContact O-CB 3.39Å; A47-K51 PolarHBondContact O-N 3.18Å |
| 48 | Y | 87.5 | Confident | 84.6 | Confident | 151 Ų | 151 | 104.9 Ų | 104.9 | 59% | 0.592 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.9 | -45.6 | 173.1 | -176.3 | -96.4 | 0 | 0 | 0 | 111.5 | E44 L45 D46 K50 K51 V52 | E44-Y48 VanDerWaalsContact O-CB 3.29Å; E44-Y48 WeakPolarHBondContact O-CB 3.29Å; E44-Y48 PolarHBondContact O-N 3.43Å; L45-Y48 PolarHBondContact O-N 2.87Å; D46-Y48 VanDerWaalsContact C-N 3.35Å; D46-Y48 PolarHBondContact O-N 3.47Å; Y48-K50 VanDerWaalsContact C-N 3.34Å; Y48-K50 PolarHBondContact O-N 3.37Å; Y48-K51 WeakPolarHBondContact O-CB 3.1Å; Y48-K51 PolarHBondContact O-N 3.13Å; Y48-K51 VanDerWaalsContact O-N 3.11Å; Y48-V52 HydrophobicContact CD1-CG1 4.27Å; Y48-V52 HydrophobicContact CD1-CG2 4.44Å; Y48-V52 HydrophobicContact CE1-CG1 3.78Å; Y48-V52 HydrophobicContact CE1-CG2 4.27Å; Y48-V52 HydrophobicContact CE2-CG1 4.04Å; Y48-V52 WeakPolarHBondContact O-CG2 3.36Å; Y48-V52 PolarHBondContact O-N 2.93Å |
| 49 | A | 87 | Confident | 84.4 | Confident | 51 Ų | 51 | 105.9 Ų | 105.9 | 42% | 0.421 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -57 | -46.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L45 D46 K51 V52 A53 | L45-A49 WeakPolarHBondContact O-CB 3.32Å; L45-A49 PolarHBondContact O-N 2.93Å; D46-A49 PolarHBondContact O-N 3.11Å; A49-K51 PolarHBondContact O-N 2.96Å; A49-V52 PolarHBondContact O-N 2.85Å; A49-A53 WeakPolarHBondContact O-CB 3.29Å; A49-A53 PolarHBondContact O-N 3.16Å |
| 50 | K | 87.1 | Confident | 84.3 | Confident | 127 Ų | 127 | 106 Ų | 106 | 55% | 0.552 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.4 | -38.2 | 174.7 | -73.7 | 165 | 177.7 | 165.9 | 0 | 112.7 | D46 Y48 | D46-K50 VanDerWaalsContact CG-NZ 3.29Å; D46-K50 WeakPolarHBondContact O-CB 3.37Å; D46-K50 WeakPolarHBondContact O-CG 3.35Å; D46-K50 PolarHBondContact O-N 3.18Å; D46-K50 WeakPolarHBondContact OD1-CE 3.47Å; D46-K50 IonicContact OD1-NZ 3.15Å; D46-K50 PolarHBondContact OD1-NZ 3.14Å; D46-K50 VanDerWaalsContact OD1-NZ 3.15Å; D46-K50 WeakPolarHBondContact OD2-CE 3.34Å; D46-K50 IonicContact OD2-NZ 2.66Å; D46-K50 PolarHBondContact OD2-NZ 3.41Å; Y48-K50 VanDerWaalsContact C-N 3.34Å; Y48-K50 PolarHBondContact O-N 3.37Å |
| 51 | K | 89 | Confident | 83.8 | Confident | 161 Ų | 161 | 108.2 Ų | 108.2 | 70% | 0.7 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -66.5 | -39.2 | 175.7 | -175.5 | 177.5 | 178.6 | 179 | 0 | 112.7 | A47 Y48 A49 | A47-K51 WeakPolarHBondContact O-CB 3.39Å; A47-K51 PolarHBondContact O-N 3.18Å; Y48-K51 WeakPolarHBondContact O-CB 3.1Å; Y48-K51 PolarHBondContact O-N 3.13Å; Y48-K51 VanDerWaalsContact O-N 3.11Å; A49-K51 PolarHBondContact O-N 2.96Å |
| 52 | V | 87.9 | Confident | 83.2 | Confident | 59 Ų | 59 | 111.5 Ų | 111.5 | 36% | 0.358 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -88.1 | -16.8 | -180 | -55.2 | 0 | 0 | 0 | 0 | 114.1 | Y48 A49 N54 N55 | Y48-V52 HydrophobicContact CD1-CG1 4.27Å; Y48-V52 HydrophobicContact CD1-CG2 4.44Å; Y48-V52 HydrophobicContact CE1-CG1 3.78Å; Y48-V52 HydrophobicContact CE1-CG2 4.27Å; Y48-V52 HydrophobicContact CE2-CG1 4.04Å; Y48-V52 WeakPolarHBondContact O-CG2 3.36Å; Y48-V52 PolarHBondContact O-N 2.93Å; A49-V52 PolarHBondContact O-N 2.85Å; V52-N54 PolarHBondContact O-N 2.85Å; V52-N55 CarbonylContact O-C 3.45Å; V52-N55 WeakPolarHBondContact O-CA 3.43Å; V52-N55 PolarHBondContact O-N 3.42Å |
| 53 | A | 80.3 | Confident | 82.3 | Confident | 74 Ų | 74 | 111.5 Ų | 111.5 | 61% | 0.612 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -55.8 | -35.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | A49 N55 | A49-A53 WeakPolarHBondContact O-CB 3.29Å; A49-A53 PolarHBondContact O-N 3.16Å; A53-N55 VanDerWaalsContact C-N 3.32Å |
| 54 | N | 79.2 | Confident | 81 | Confident | 142 Ų | 142 | 116.2 Ų | 116.2 | 76% | 0.759 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | 2.5 | 176.9 | -62 | -27.7 | 0 | 0 | 0 | 113.7 | V52 P56 | V52-N54 PolarHBondContact O-N 2.85Å; N54-P56 WeakPolarHBondContact O-CD 3.31Å |
| 55 | N | 79.5 | Confident | 79.5 | Confident | 115 Ų | 115 | 114.8 Ų | 114.8 | 62% | 0.615 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -118.5 | 76.9 | 175.9 | -83.6 | -90.1 | 0 | 0 | 0 | 109.8 | V52 A53 L57 | V52-N55 CarbonylContact O-C 3.45Å; V52-N55 WeakPolarHBondContact O-CA 3.43Å; V52-N55 PolarHBondContact O-N 3.42Å; A53-N55 VanDerWaalsContact C-N 3.32Å; N55-L57 PolarHBondContact O-N 2.88Å; N55-L57 VanDerWaalsContact O-N 3.16Å |
| 56 | P | 74.3 | Confident | 78.3 | Confident | 101 Ų | 101 | 114 Ų | 114 | 66% | 0.656 | 62% | 0.62 | S | S | * | * | | | trans | -61.3 | 119.1 | -178.6 | 25 | -34.2 | 0 | 0 | 0 | 111.2 | N54 T58 | N54-P56 WeakPolarHBondContact O-CD 3.31Å; P56-T58 PolarHBondContact O-N 2.66Å; P56-T58 PolarHBondContact O-OG1 3.15Å |
| 57 | L | 78 | Confident | 77.5 | Confident | 164 Ų | 164 | 119.6 Ų | 119.6 | 86% | 0.859 | 64% | 0.641 | S | S | * | * | | | trans | -61.2 | 97.4 | 176.2 | -67.8 | 175.6 | 0 | 0 | 0 | 109.9 | N55 I59 | N55-L57 PolarHBondContact O-N 2.88Å; N55-L57 VanDerWaalsContact O-N 3.16Å; L57-I59 PolarHBondContact O-N 3.28Å |
| 58 | T | 72.8 | Confident | 76.5 | Confident | 117 Ų | 117 | 121.9 Ų | 121.9 | 72% | 0.718 | 65% | 0.649 | S | S | * | * | | | trans | -80.4 | 83.3 | -170.8 | -60 | 0 | 0 | 0 | 0 | 110.3 | P56 K60 | P56-T58 PolarHBondContact O-N 2.66Å; P56-T58 PolarHBondContact O-OG1 3.15Å; T58-K60 PolarHBondContact O-N 2.85Å; T58-K60 VanDerWaalsContact O-N 3.13Å |
| 59 | I | 73 | Confident | 75.4 | Confident | 138 Ų | 138 | 119.5 Ų | 119.5 | 71% | 0.708 | 65% | 0.652 | S | S | * | * | | | trans | -70.8 | 104.2 | 175.1 | -57.2 | 175.7 | 0 | 0 | 0 | 108.8 | L57 I61 | L57-I59 PolarHBondContact O-N 3.28Å; I59-I61 HydrophobicContact CG2-CG1 3.97Å; I59-I61 PolarHBondContact O-N 3.47Å |
| 60 | K | 71.7 | Confident | 74.5 | Confident | 165 Ų | 165 | 123.9 Ų | 123.9 | 72% | 0.717 | 66% | 0.664 | S | S | * | * | | | trans | -71.5 | 89.7 | 172.3 | -75.4 | -173.3 | 175.4 | 179.9 | 0 | 110.6 | T58 F62 | T58-K60 PolarHBondContact O-N 2.85Å; T58-K60 VanDerWaalsContact O-N 3.13Å; K60-F62 HydrophobicContact CB-CE2 4.12Å; K60-F62 HydrophobicContact CB-CZ 4.35Å; K60-F62 WeakPolarHBondContact O-CD2 3.47Å; K60-F62 PolarHBondContact O-N 2.88Å |
| 61 | I | 77.2 | Confident | 73.3 | Confident | 121 Ų | 121 | 128.4 Ų | 128.4 | 62% | 0.621 | 68% | 0.677 | S | S | * | * | | | trans | -74.5 | 100.6 | 171.9 | -57.8 | 178.9 | 0 | 0 | 0 | 108.7 | I59 V66 | I59-I61 HydrophobicContact CG2-CG1 3.97Å; I59-I61 PolarHBondContact O-N 3.47Å; I61-V66 HydrophobicContact CG2-CG2 3.22Å |
| 62 | F | 79.6 | Confident | 71.8 | Confident | 132 Ų | 132 | 127.2 Ų | 127.2 | 58% | 0.579 | 68% | 0.679 | S | S | * | * | | | trans | -74.9 | 135.7 | 171.5 | -64.3 | -83.5 | 0 | 0 | 0 | 109.7 | K60 N64 S65 | K60-F62 HydrophobicContact CB-CE2 4.12Å; K60-F62 HydrophobicContact CB-CZ 4.35Å; K60-F62 WeakPolarHBondContact O-CD2 3.47Å; K60-F62 PolarHBondContact O-N 2.88Å; F62-N64 PolarHBondContact O-N 2.98Å; F62-N64 VanDerWaalsContact O-N 3.14Å; F62-S65 PolarHBondContact N-OG 3.08Å; F62-S65 WeakPolarHBondContact O-CB 3.36Å; F62-S65 PolarHBondContact O-N 3.02Å; F62-S65 PolarHBondContact O-OG 3.17Å |
| 63 | P | 70.4 | Confident | 70.3 | Confident | 112 Ų | 112 | 131.5 Ų | 131.5 | 73% | 0.727 | 69% | 0.694 | S | S | * | * | G | 310 helix | trans | -52.6 | -39.1 | 178.4 | -29.3 | 35.6 | 0 | 0 | 0 | 113.3 | S65 V66 | P63-S65 PolarHBondContact O-N 3.27Å; P63-S65 VanDerWaalsContact O-N 3.09Å; P63-V66 PolarHBondContact O-N 3.48Å |
| 64 | N | 63.4 | Low | 69.2 | Low | 169 Ų | 169 | 133 Ų | 133 | 90% | 0.904 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -65.5 | -10.3 | 178 | -60.5 | -12.6 | 0 | 0 | 0 | 114.4 | F62 | F62-N64 PolarHBondContact O-N 2.98Å; F62-N64 VanDerWaalsContact O-N 3.14Å |
| 65 | S | 60.4 | Low | 68.3 | Low | 80 Ų | 80 | 133.4 Ų | 133.4 | 56% | 0.559 | 69% | 0.686 | S | S | * | * | G | 310 helix | trans | -102 | -12.1 | 178.3 | 68.1 | 0 | 0 | 0 | 0 | 114 | F62 P63 K67 | F62-S65 PolarHBondContact N-OG 3.08Å; F62-S65 WeakPolarHBondContact O-CB 3.36Å; F62-S65 PolarHBondContact O-N 3.02Å; F62-S65 PolarHBondContact O-OG 3.17Å; P63-S65 PolarHBondContact O-N 3.27Å; P63-S65 VanDerWaalsContact O-N 3.09Å; S65-K67 PolarHBondContact O-N 2.79Å |
| 66 | V | 65.9 | Low | 67.5 | Low | 79 Ų | 79 | 137.2 Ų | 137.2 | 48% | 0.479 | 69% | 0.692 | S | S | . | * | | | trans | -85.9 | 76.5 | -178.2 | -170.3 | 0 | 0 | 0 | 0 | 110.8 | I61 P63 V68 | I61-V66 HydrophobicContact CG2-CG2 3.22Å; P63-V66 PolarHBondContact O-N 3.48Å; V66-V68 VanDerWaalsContact C-N 3.33Å; V66-V68 HydrophobicContact CG1-CG2 4.14Å; V66-V68 PolarHBondContact O-N 2.66Å |
| 67 | K | 73.1 | Confident | 66.9 | Low | 197 Ų | 197 | 136.2 Ų | 136.2 | 86% | 0.857 | 68% | 0.684 | S | S | * | * | | | trans | -78.4 | 81.8 | 174.9 | -166.4 | 166.4 | -174.2 | 171.2 | 0 | 111.1 | S65 P69 | S65-K67 PolarHBondContact O-N 2.79Å; K67-P69 WeakPolarHBondContact O-CD 3.5Å |
| 68 | V | 69.7 | Low | 65.8 | Low | 105 Ų | 105 | 133.2 Ų | 133.2 | 64% | 0.636 | 67% | 0.672 | S | S | * | * | | | trans | -53.1 | 123.3 | 175.2 | -178.8 | 0 | 0 | 0 | 0 | 110 | V66 Q70 | V66-V68 VanDerWaalsContact C-N 3.33Å; V66-V68 HydrophobicContact CG1-CG2 4.14Å; V66-V68 PolarHBondContact O-N 2.66Å; V68-Q70 PolarHBondContact O-N 3.31Å; V68-Q70 VanDerWaalsContact O-N 3.1Å |
| 69 | P | 64.5 | Low | 64.9 | Low | 100 Ų | 100 | 135.6 Ų | 135.6 | 65% | 0.649 | 68% | 0.681 | S | S | * | * | | | trans | -62.9 | 114.3 | 173.9 | -22.8 | 34.4 | 0 | 0 | 0 | 110.3 | K67 R71 | K67-P69 WeakPolarHBondContact O-CD 3.5Å; P69-R71 PolarHBondContact O-N 2.9Å |
| 70 | Q | 68.5 | Low | 64.3 | Low | 144 Ų | 144 | 132.2 Ų | 132.2 | 67% | 0.673 | 68% | 0.68 | S | S | * | * | | | trans | -55.1 | 135.6 | 173.5 | -78.6 | -68.2 | -12.5 | 0 | 0 | 109.9 | V68 N72 H73 | V68-Q70 PolarHBondContact O-N 3.31Å; V68-Q70 VanDerWaalsContact O-N 3.1Å; Q70-N72 PolarHBondContact O-N 2.87Å; Q70-H73 PolarHBondContact O-N 3.09Å |
| 71 | R | 60.1 | Low | 63.5 | Low | 222 Ų | 222 | 130.7 Ų | 130.7 | 84% | 0.838 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -55.1 | -20.1 | -165.3 | -161.7 | 176.3 | 75.1 | 161.7 | 1.8 | 114.7 | P69 | P69-R71 PolarHBondContact O-N 2.9Š|
| 72 | N | 57.8 | Low | 62.8 | Low | 136 Ų | 136 | 126.4 Ų | 126.4 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -85.2 | -7.6 | -179.2 | -55.6 | -23.4 | 0 | 0 | 0 | 113.9 | Q70 | Q70-N72 PolarHBondContact O-N 2.87Š|
| 73 | H | 56.5 | Low | 61.9 | Low | 148 Ų | 148 | 124.7 Ų | 124.7 | 69% | 0.685 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -127.1 | 33.6 | -173.6 | -67.9 | -10.5 | 0 | 0 | 0 | 113.4 | Q70 R75 | Q70-H73 PolarHBondContact O-N 3.09Å; H73-R75 PolarHBondContact O-N 3.14Å |
| 74 | V | 58 | Low | 61.3 | Low | 106 Ų | 106 | 123.4 Ų | 123.4 | 64% | 0.642 | 65% | 0.651 | S | S | * | * | | | trans | -71.8 | 76.7 | 164.5 | -174 | 0 | 0 | 0 | 0 | 109 | R76 | V74-R76 PolarHBondContact O-N 2.67Š|
| 75 | R | 59.9 | Low | 61 | Low | 150 Ų | 150 | 117.7 Ų | 117.7 | 57% | 0.566 | 63% | 0.633 | S | S | * | * | | | trans | -57.9 | 115.3 | 165.8 | -66 | 177.3 | 88.9 | -169.3 | 4 | 106.8 | H73 T77 D82 | H73-R75 PolarHBondContact O-N 3.14Å; R75-T77 HydrophobicContact CB-CG2 4.23Å; R75-T77 PolarHBondContact O-N 3.2Å; R75-D82 WeakPolarHBondContact CB-OD1 3.41Å; R75-D82 IonicContact CZ-OD2 3.15Å; R75-D82 IonicContact NE-OD1 3.6Å; R75-D82 IonicContact NE-OD2 2.79Å; R75-D82 PolarHBondContact NE-OD2 3.5Å; R75-D82 VanDerWaalsContact NH2-CG 3.34Å; R75-D82 IonicContact NH2-OD2 2.71Å; R75-D82 PolarHBondContact NH2-OD2 3.46Å |
| 76 | R | 63.4 | Low | 60.8 | Low | 196 Ų | 196 | 122.2 Ų | 122.2 | 74% | 0.74 | 65% | 0.645 | S | S | * | * | | | trans | -75.2 | 76.1 | 179 | -73.5 | -172.5 | 178.6 | 110.3 | -4.7 | 109.1 | V74 V78 T83 | V74-R76 PolarHBondContact O-N 2.67Å; R76-V78 PolarHBondContact O-N 2.98Å; R76-T83 WeakPolarHBondContact O-CG2 3.37Å; R76-T83 PolarHBondContact O-OG1 2.97Å |
| 77 | T | 61.6 | Low | 60.3 | Low | 79 Ų | 79 | 129 Ų | 129 | 49% | 0.485 | 66% | 0.662 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.1 | 112.3 | 179.1 | 51.1 | 0 | 0 | 0 | 0 | 110.8 | R75 L81 D82 | R75-T77 HydrophobicContact CB-CG2 4.23Å; R75-T77 PolarHBondContact O-N 3.2Å; T77-L81 WeakPolarHBondContact CA-O 3.46Å; T77-D82 HydrophobicContact CG2-CB 4.22Å |
| 78 | V | 54 | Low | 59.2 | Low | 101 Ų | 101 | 130.9 Ų | 130.9 | 61% | 0.612 | 67% | 0.665 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 129.3 | 163 | -178.7 | 0 | 0 | 0 | 0 | 106.8 | R76 G80 L81 | R76-V78 PolarHBondContact O-N 2.98Å; V78-G80 PolarHBondContact O-N 3.05Å; V78-G80 VanDerWaalsContact O-N 3.11Å; V78-L81 PolarHBondContact N-O 3.41Å; V78-L81 PolarHBondContact O-N 3.43Å |
| 79 | N | 53.4 | Low | 58 | Low | 168 Ų | 168 | 129.5 Ų | 129.5 | 90% | 0.898 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.3 | 34.1 | -176.6 | -56.6 | -11.7 | 0 | 0 | 0 | 113.9 | L81 | N79-L81 PolarHBondContact O-N 3.21Š|
| 80 | G | 60.9 | Low | 57.4 | Low | 66 Ų | 66 | 130.5 Ų | 130.5 | 68% | 0.68 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 78.4 | -11 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | V78 | V78-G80 PolarHBondContact O-N 3.05Å; V78-G80 VanDerWaalsContact O-N 3.11Å |
| 81 | L | 54.6 | Low | 56.3 | Low | 134 Ų | 134 | 132.4 Ų | 132.4 | 70% | 0.702 | 67% | 0.669 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.8 | 121.6 | 178.5 | -170.1 | 69.7 | 0 | 0 | 0 | 110.6 | T77 V78 N79 T83 | T77-L81 WeakPolarHBondContact CA-O 3.46Å; V78-L81 PolarHBondContact N-O 3.41Å; V78-L81 PolarHBondContact O-N 3.43Å; N79-L81 PolarHBondContact O-N 3.21Å; L81-T83 PolarHBondContact O-N 3.43Å |
| 82 | D | 62.7 | Low | 55.6 | Low | 30 Ų | 30 | 127.3 Ų | 127.3 | 16% | 0.16 | 67% | 0.665 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.4 | 116.9 | 179 | 170.9 | 38.6 | 0 | 0 | 0 | 112.5 | R75 T77 S84 | R75-D82 WeakPolarHBondContact CB-OD1 3.41Å; R75-D82 IonicContact CZ-OD2 3.15Å; R75-D82 IonicContact NE-OD1 3.6Å; R75-D82 IonicContact NE-OD2 2.79Å; R75-D82 PolarHBondContact NE-OD2 3.5Å; R75-D82 VanDerWaalsContact NH2-CG 3.34Å; R75-D82 IonicContact NH2-OD2 2.71Å; R75-D82 PolarHBondContact NH2-OD2 3.46Å; T77-D82 HydrophobicContact CG2-CB 4.22Å; D82-S84 VanDerWaalsContact C-N 3.26Å; D82-S84 VanDerWaalsContact CG-OG 3.27Å; D82-S84 PolarHBondContact O-N 3.04Å; D82-S84 VanDerWaalsContact OD1-CB 3.24Å; D82-S84 WeakPolarHBondContact OD1-CB 3.34Å; D82-S84 PolarHBondContact OD1-N 3.38Å; D82-S84 PolarHBondContact OD1-OG 3.48Å; D82-S84 VanDerWaalsContact OD1-OG 3.13Å; D82-S84 PolarHBondContact OD2-OG 3.37Å |
| 83 | T | 60.4 | Low | 55.3 | Low | 97 Ų | 97 | 126.1 Ų | 126.1 | 60% | 0.595 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | 4.2 | 176.9 | 69.8 | 0 | 0 | 0 | 0 | 114.4 | R76 L81 | R76-T83 WeakPolarHBondContact O-CG2 3.37Å; R76-T83 PolarHBondContact O-OG1 2.97Å; L81-T83 PolarHBondContact O-N 3.43Å |
| 84 | S | 58.8 | Low | 54.9 | Low | 84 Ų | 84 | 124.5 Ų | 124.5 | 59% | 0.587 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | -13.3 | -179.8 | 84.3 | 0 | 0 | 0 | 0 | 114.5 | D82 | D82-S84 VanDerWaalsContact C-N 3.26Å; D82-S84 VanDerWaalsContact CG-OG 3.27Å; D82-S84 PolarHBondContact O-N 3.04Å; D82-S84 VanDerWaalsContact OD1-CB 3.24Å; D82-S84 WeakPolarHBondContact OD1-CB 3.34Å; D82-S84 PolarHBondContact OD1-N 3.38Å; D82-S84 PolarHBondContact OD1-OG 3.48Å; D82-S84 VanDerWaalsContact OD1-OG 3.13Å; D82-S84 PolarHBondContact OD2-OG 3.37Å |
| 85 | G | 56.3 | Low | 54.6 | Low | 50 Ų | 50 | 128.8 Ų | 128.8 | 52% | 0.515 | 68% | 0.683 | S | S | . | * | | | trans | -93.5 | 114.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | R87 | G85-R87 PolarHBondContact O-N 3.47Š|
| 86 | Q | 56 | Low | 53.9 | Low | 174 Ų | 174 | 125.7 Ų | 125.7 | 81% | 0.813 | 69% | 0.689 | S | S | * | * | | | trans | -73.1 | 72.2 | 164.9 | -83.1 | -76.5 | 1.9 | 0 | 0 | 111.3 | | |
| 87 | R | 56.9 | Low | 53 | Low | 221 Ų | 221 | 122 Ų | 122 | 83% | 0.834 | 69% | 0.693 | S | S | * | * | | | trans | -145.6 | 143.2 | 170.6 | -61.7 | -67.2 | -178.5 | 145.3 | 3 | 108.4 | G85 | G85-R87 PolarHBondContact O-N 3.47Š|
| 88 | Y | 49 | Very low | 52.5 | Low | 238 Ų | 238 | 123 Ų | 123 | 93% | 0.933 | 71% | 0.71 | S | S | * | * | | | trans | 64.2 | 52.4 | -174.5 | -69.6 | -85.4 | 0 | 0 | 0 | 116.2 | | |
| 89 | S | 45.1 | Very low | 52.3 | Low | 75 Ų | 75 | 127.6 Ų | 127.6 | 52% | 0.524 | 72% | 0.722 | S | S | . | * | | | trans | -92.1 | 137.1 | 137.2 | 176.9 | 0 | 0 | 0 | 0 | 108.1 | Y91 | S89-Y91 PolarHBondContact O-N 3.44Å; S89-Y91 PolarHBondContact OG-N 3.49Å; S89-Y91 PolarHBondContact OG-O 3.36Å |
| 90 | P | 52.4 | Low | 52 | Low | 122 Ų | 122 | 125.3 Ų | 125.3 | 79% | 0.792 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -77 | -6.7 | 171.8 | 32.6 | -34.7 | 0 | 0 | 0 | 112.9 | | |
| 91 | Y | 45.2 | Very low | 51 | Low | 183 Ų | 183 | 125.1 Ų | 125.1 | 72% | 0.718 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -96.2 | 143.2 | 176.3 | -64.6 | -81.1 | 0 | 0 | 0 | 111.2 | S89 | S89-Y91 PolarHBondContact O-N 3.44Å; S89-Y91 PolarHBondContact OG-N 3.49Å; S89-Y91 PolarHBondContact OG-O 3.36Å |
| 92 | P | 45.2 | Very low | 51 | Low | 115 Ų | 115 | 127.7 Ų | 127.7 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | | | trans | -61.5 | 140.1 | -177.9 | 25.4 | -34.5 | 0 | 0 | 0 | 111.4 | S94 | P92-S94 PolarHBondContact O-N 3.37Š|
| 93 | P | 51.9 | Low | 50.6 | Low | 112 Ų | 112 | 134.4 Ų | 134.4 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | | | trans | -73.5 | 95.2 | -177.2 | 29.9 | -34.8 | 0 | 0 | 0 | 110.8 | Q95 | P93-Q95 PolarHBondContact O-N 3.26Š|
| 94 | S | 47.1 | Very low | 49.8 | Very low | 114 Ų | 114 | 133 Ų | 133 | 80% | 0.797 | 76% | 0.759 | S | S | * | * | | | trans | -58.1 | 119.3 | 163.3 | -174.1 | 0 | 0 | 0 | 0 | 108.8 | P92 A96 | P92-S94 PolarHBondContact O-N 3.37Å; S94-A96 VanDerWaalsContact C-N 3.32Å; S94-A96 PolarHBondContact O-N 3.45Å |
| 95 | Q | 51.8 | Low | 49.2 | Very low | 196 Ų | 196 | 136.9 Ų | 136.9 | 92% | 0.916 | 77% | 0.771 | S | S | * | * | | | trans | -73.8 | 83.9 | -173.9 | -77.1 | -153.6 | 44.5 | 0 | 0 | 112 | P93 | P93-Q95 PolarHBondContact O-N 3.26Š|
| 96 | A | 45.2 | Very low | 48.7 | Very low | 84 Ų | 84 | 140.8 Ų | 140.8 | 69% | 0.694 | 79% | 0.785 | S | S | * | * | | | trans | -117.9 | 78.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | S94 A98 | S94-A96 VanDerWaalsContact C-N 3.32Å; S94-A96 PolarHBondContact O-N 3.45Å; A96-A98 PolarHBondContact O-N 3.1Å |
| 97 | S | 44.4 | Very low | 48.3 | Very low | 118 Ų | 118 | 141.8 Ų | 141.8 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | | | trans | -65.4 | 99.5 | 170 | -174.7 | 0 | 0 | 0 | 0 | 109 | K99 | S97-K99 PolarHBondContact O-N 3.41Š|
| 98 | A | 50.9 | Low | 47.4 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | | | trans | -70.5 | 84.1 | -168.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A96 | A96-A98 PolarHBondContact O-N 3.1Š|
| 99 | K | 51.2 | Low | 46.9 | Very low | 197 Ų | 197 | 128.7 Ų | 128.7 | 86% | 0.857 | 77% | 0.765 | S | S | * | * | | | trans | -133.1 | 15.8 | 175 | -141.6 | -179.9 | -178.3 | -176.3 | 0 | 114.8 | S97 | S97-K99 PolarHBondContact O-N 3.41Š|
| 100 | T | 46.1 | Very low | 46.9 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -138.8 | 146.6 | 166.3 | 44.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 101 | G | 39.9 | Very low | 46.3 | Very low | 62 Ų | 62 | 130.8 Ų | 130.8 | 64% | 0.639 | 78% | 0.777 | S | S | * | * | | | trans | -76.3 | 175 | -180 | 0 | 0 | 0 | 0 | 0 | 113.7 | L103 | G101-L103 PolarHBondContact O-N 3.41Š|
| 102 | L | 53.8 | Low | 46.5 | Very low | 187 Ų | 187 | 131.5 Ų | 131.5 | 98% | 0.979 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -69.4 | 33 | -176.3 | -70.9 | 167.9 | 0 | 0 | 0 | 115.4 | | |
| 103 | L | 55.1 | Low | 46.3 | Very low | 172 Ų | 172 | 129.3 Ų | 129.3 | 90% | 0.901 | 78% | 0.782 | S | S | * | * | | | trans | -136.1 | 37 | 175.3 | -69.1 | 176.3 | 0 | 0 | 0 | 111.7 | G101 I105 | G101-L103 PolarHBondContact O-N 3.41Å; L103-I105 PolarHBondContact O-N 3.48Å |
| 104 | A | 43.3 | Very low | 45.9 | Very low | 68 Ų | 68 | 129.7 Ų | 129.7 | 56% | 0.562 | 78% | 0.783 | S | S | * | * | | | trans | -89.3 | 92.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | V106 | A104-V106 PolarHBondContact O-N 3.11Š|
| 105 | I | 47.1 | Very low | 45.9 | Very low | 164 Ų | 164 | 131 Ų | 131 | 84% | 0.841 | 78% | 0.78 | S | S | * | * | | | trans | -56.9 | 126.7 | 165.2 | -62 | 172.4 | 0 | 0 | 0 | 107.4 | L103 K107 | L103-I105 PolarHBondContact O-N 3.48Å; I105-K107 VanDerWaalsContact C-N 3.26Å; I105-K107 PolarHBondContact O-N 3.31Å |
| 106 | V | 44.8 | Very low | 45.4 | Very low | 133 Ų | 133 | 129.6 Ų | 129.6 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | | | trans | -72.6 | 82.1 | -176.8 | -175.6 | 0 | 0 | 0 | 0 | 110 | A104 A108 | A104-V106 PolarHBondContact O-N 3.11Å; V106-A108 VanDerWaalsContact C-N 3.27Å; V106-A108 PolarHBondContact O-N 2.83Å |
| 107 | K | 47.6 | Very low | 45.3 | Very low | 195 Ų | 195 | 131 Ų | 131 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | | | trans | -71 | 89 | 164.2 | -172.9 | 170.5 | -176 | 173.3 | 0 | 107.7 | I105 | I105-K107 VanDerWaalsContact C-N 3.26Å; I105-K107 PolarHBondContact O-N 3.31Å |
| 108 | A | 39.2 | Very low | 45.7 | Very low | 73 Ų | 73 | 135 Ų | 135 | 60% | 0.603 | 77% | 0.77 | S | S | * | * | | | trans | -49.2 | 129.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V106 S110 | V106-A108 VanDerWaalsContact C-N 3.27Å; V106-A108 PolarHBondContact O-N 2.83Å; A108-S110 PolarHBondContact O-N 2.88Å; A108-S110 VanDerWaalsContact O-N 3.11Å |
| 109 | P | 37.6 | Very low | 45.8 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 71% | 0.714 | 77% | 0.765 | S | S | * | * | | | trans | -60.8 | 116.8 | 177.6 | -25.4 | 35.7 | 0 | 0 | 0 | 110.6 | V111 | P109-V111 HydrophobicContact CB-CG2 3.99Å; P109-V111 PolarHBondContact O-N 2.83Å |
| 110 | S | 44.4 | Very low | 46 | Very low | 121 Ų | 121 | 131.2 Ų | 131.2 | 85% | 0.846 | 76% | 0.763 | S | S | * | * | | | trans | -75.4 | 59.5 | 175.8 | 60.4 | 0 | 0 | 0 | 0 | 111.1 | A108 K112 | A108-S110 PolarHBondContact O-N 2.88Å; A108-S110 VanDerWaalsContact O-N 3.11Å; S110-K112 PolarHBondContact O-N 3.19Å |
| 111 | V | 40.8 | Very low | 46 | Very low | 120 Ų | 120 | 130.6 Ų | 130.6 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | | | trans | -69.8 | 124.8 | 173.6 | -177.3 | 0 | 0 | 0 | 0 | 107.7 | P109 G113 | P109-V111 HydrophobicContact CB-CG2 3.99Å; P109-V111 PolarHBondContact O-N 2.83Å; V111-G113 PolarHBondContact O-N 2.84Å |
| 112 | K | 49.8 | Very low | 45.9 | Very low | 199 Ų | 199 | 139.5 Ų | 139.5 | 87% | 0.865 | 78% | 0.777 | S | S | * | * | | | trans | -71.9 | 73.2 | 171.5 | -73.4 | -179.9 | 175.6 | 176.2 | 0 | 110.2 | S110 V114 | S110-K112 PolarHBondContact O-N 3.19Å; K112-V114 PolarHBondContact O-N 2.79Å |
| 113 | G | 40.8 | Very low | 45.3 | Very low | 68 Ų | 68 | 134.8 Ų | 134.8 | 70% | 0.701 | 77% | 0.766 | S | S | * | * | | | trans | -69.7 | 92.1 | 166.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | V111 L115 | V111-G113 PolarHBondContact O-N 2.84Å; G113-L115 VanDerWaalsContact C-N 3.29Å; G113-L115 PolarHBondContact O-N 3.23Å; G113-L115 VanDerWaalsContact O-N 3.1Å |
| 114 | V | 44.3 | Very low | 44.7 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | | | trans | -77.7 | 88.6 | 164.3 | -179.6 | 0 | 0 | 0 | 0 | 107.1 | K112 | K112-V114 PolarHBondContact O-N 2.79Š|
| 115 | L | 45.5 | Very low | 44.6 | Very low | 142 Ų | 142 | 143.2 Ų | 143.2 | 74% | 0.743 | 78% | 0.783 | S | S | * | * | | | trans | -65.2 | 134.2 | 154.6 | -172.2 | 60.4 | 0 | 0 | 0 | 106.9 | G113 | G113-L115 VanDerWaalsContact C-N 3.29Å; G113-L115 PolarHBondContact O-N 3.23Å; G113-L115 VanDerWaalsContact O-N 3.1Å |
| 116 | K | 42.6 | Very low | 44.2 | Very low | 165 Ų | 165 | 143.5 Ų | 143.5 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | | | trans | -105.4 | 98.3 | 179.9 | -178 | -173.1 | 173.2 | -172.8 | 0 | 108.5 | | |
| 117 | D | 42.4 | Very low | 43.7 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 60% | 0.604 | 78% | 0.778 | S | S | * | * | | | trans | -66.9 | 143.2 | 171.3 | -39 | -67.4 | 0 | 0 | 0 | 109.2 | D119 | D117-D119 VanDerWaalsContact C-N 3.29Å; D117-D119 PolarHBondContact O-N 3.41Å |
| 118 | F | 52.5 | Low | 42.9 | Very low | 204 Ų | 204 | 140.4 Ų | 140.4 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | -4.4 | -172.6 | -101.7 | -94.6 | 0 | 0 | 0 | 114.7 | | |
| 119 | D | 53.9 | Low | 42.8 | Very low | 141 Ų | 141 | 143 Ų | 143 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.4 | 37.9 | -173.6 | -166 | 32 | 0 | 0 | 0 | 114.3 | D117 S121 | D117-D119 VanDerWaalsContact C-N 3.29Å; D117-D119 PolarHBondContact O-N 3.41Å; D119-S121 PolarHBondContact O-N 2.71Å; D119-S121 PolarHBondContact O-OG 2.89Å |
| 120 | G | 54.2 | Low | 42.4 | Very low | 78 Ų | 78 | 142.2 Ų | 142.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | | | trans | 65.2 | -16.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 121 | S | 46.5 | Very low | 42 | Very low | 106 Ų | 106 | 144.4 Ų | 144.4 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | | | trans | -98.3 | 115.3 | -163.4 | -66.9 | 0 | 0 | 0 | 0 | 113.7 | D119 | D119-S121 PolarHBondContact O-N 2.71Å; D119-S121 PolarHBondContact O-OG 2.89Å |
| 122 | R | 38.7 | Very low | 41.8 | Very low | 249 Ų | 249 | 146 Ų | 146 | 94% | 0.94 | 78% | 0.78 | S | S | * | * | | | trans | -89.7 | 103.7 | 177.9 | -81.2 | -177.9 | 144.5 | -148.9 | -4.4 | 113 | | |
| 123 | A | 41.4 | Very low | 41.5 | Very low | 89 Ų | 89 | 141.4 Ų | 141.4 | 74% | 0.736 | 77% | 0.771 | S | S | * | * | | | trans | -102.3 | 139.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 124 | R | 42.4 | Very low | 41.5 | Very low | 246 Ų | 246 | 144 Ų | 144 | 93% | 0.928 | 78% | 0.775 | S | S | * | * | | | trans | -87.9 | 108.8 | 171.3 | -67.9 | -146 | -57 | -160.2 | 2.2 | 109.8 | H126 | R124-H126 PolarHBondContact O-N 3.42Å; R124-H126 VanDerWaalsContact O-N 3.1Å |
| 125 | L | 40.4 | Very low | 41.1 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 90% | 0.895 | 79% | 0.787 | S | S | * | * | | | trans | -67.2 | 107.2 | 165.6 | -63.6 | -179.3 | 0 | 0 | 0 | 109.2 | | |
| 126 | H | 38.6 | Very low | 40.6 | Very low | 170 Ų | 170 | 142 Ų | 142 | 79% | 0.787 | 78% | 0.783 | S | S | * | * | | | trans | -80.9 | 124.2 | 166.3 | -176 | -87.3 | 0 | 0 | 0 | 107.9 | R124 E128 | R124-H126 PolarHBondContact O-N 3.42Å; R124-H126 VanDerWaalsContact O-N 3.1Å; H126-E128 PolarHBondContact O-N 3.47Å |
| 127 | S | 33.5 | Very low | 40.6 | Very low | 109 Ų | 109 | 139.9 Ų | 139.9 | 76% | 0.762 | 79% | 0.786 | S | S | * | * | | | trans | -72.5 | 92.4 | 176 | -59.9 | 0 | 0 | 0 | 0 | 110.1 | V129 | S127-V129 PolarHBondContact O-N 3.03Š|
| 128 | E | 31.9 | Very low | 40.1 | Very low | 153 Ų | 153 | 142.5 Ų | 142.5 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | | | trans | -66.8 | 120.6 | 163.4 | -167.6 | -163.5 | 151.8 | 0 | 0 | 109.2 | H126 S130 | H126-E128 PolarHBondContact O-N 3.47Å; E128-S130 WeakPolarHBondContact OE1-CB 3.24Å |
| 129 | V | 36.1 | Very low | 39.2 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | | | trans | -91.8 | 96 | 160.2 | 172.6 | 0 | 0 | 0 | 0 | 106.3 | S127 M131 | S127-V129 PolarHBondContact O-N 3.03Å; V129-M131 HydrophobicContact CG1-CG 4.47Å; V129-M131 PolarHBondContact O-N 3.26Å |
| 130 | S | 29.7 | Very low | 38.1 | Very low | 94 Ų | 94 | 140.2 Ų | 140.2 | 66% | 0.657 | 79% | 0.789 | S | S | * | * | | | trans | -72.4 | 116.9 | 178.5 | 48.8 | 0 | 0 | 0 | 0 | 110.4 | E128 | E128-S130 WeakPolarHBondContact OE1-CB 3.24Š|
| 131 | M | 37.1 | Very low | 37.1 | Very low | 167 Ų | 167 | 141.4 Ų | 141.4 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | | | trans | -114.8 | 144.5 | 171.1 | -78.4 | -71.8 | -68.8 | 0 | 0 | 109.7 | V129 | V129-M131 HydrophobicContact CG1-CG 4.47Å; V129-M131 PolarHBondContact O-N 3.26Å |
| 132 | N | 36.2 | Very low | 36.4 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 138.2 | -171.5 | -161.9 | -85.3 | 0 | 0 | 0 | 112.1 | | |
| 133 | P | 42.7 | Very low | 36.2 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 146.6 | -170 | 34.5 | -36.2 | 0 | 0 | 0 | 114.6 | | |
| 134 | P | 41.5 | Very low | 35.5 | Very low | 122 Ų | 122 | 137.4 Ų | 137.4 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -92.6 | 148 | 150.4 | 34.8 | -29.7 | 0 | 0 | 0 | 111.5 | | |
| 135 | T | 35.7 | Very low | 35.1 | Very low | 159 Ų | 159 | 132 Ų | 132 | 98% | 0.975 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 130.3 | -172.4 | -37.7 | 0 | 0 | 0 | 0 | 113.7 | | |
| 136 | G | 34.9 | Very low | 34.6 | Very low | 64 Ų | 64 | 130.2 Ų | 130.2 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | | | trans | -174.7 | 140.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 137 | P | 43.1 | Very low | 34.1 | Very low | 120 Ų | 120 | 127.7 Ų | 127.7 | 78% | 0.779 | 77% | 0.767 | S | S | * | * | | | trans | -85.9 | 138.5 | -167.7 | 32.2 | -35.1 | 0 | 0 | 0 | 115.1 | | |
| 138 | H | 30.8 | Very low | 34.1 | Very low | 167 Ų | 167 | 130.8 Ų | 130.8 | 77% | 0.773 | 77% | 0.77 | S | S | * | * | | | trans | 19.2 | 130.6 | 150.5 | -51.5 | -77.2 | 0 | 0 | 0 | 120.7 | | |
| 139 | Q | 33.2 | Very low | 34.2 | Very low | 182 Ų | 182 | 132.1 Ų | 132.1 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | | | | -152.8 | 157.7 | 96.7 | -98 | -58.3 | -0.7 | 0 | 0 | 111.2 | | |
| 140 | V | 32 | Very low | 34.9 | Very low | 115 Ų | 115 | 131.1 Ų | 131.1 | 70% | 0.697 | 77% | 0.772 | S | S | * | * | | | trans | -122.3 | 130.8 | -178.2 | 177 | 0 | 0 | 0 | 0 | 110.4 | | |
| 141 | A | 33.3 | Very low | 35.6 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | | | trans | -141.4 | 91.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 142 | S | 32.3 | Very low | 35.3 | Very low | 106 Ų | 106 | 131.3 Ų | 131.3 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | | | trans | -81 | 137.1 | 170.4 | -58.6 | 0 | 0 | 0 | 0 | 110.7 | | |
| 143 | T | 32.8 | Very low | 35.6 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 93% | 0.933 | 77% | 0.768 | S | S | * | * | | | trans | -153.1 | 159 | 147 | 9.4 | 0 | 0 | 0 | 0 | 110.6 | | |
| 144 | S | 26.9 | Very low | 34.8 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | | | trans | -134.6 | -176.9 | -173.4 | -171.7 | 0 | 0 | 0 | 0 | 109.6 | | |
| 145 | T | 34.1 | Very low | 34.5 | Very low | 131 Ų | 131 | 132 Ų | 132 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | 72.4 | 152.9 | 177.8 | 71.9 | 0 | 0 | 0 | 0 | 115.5 | | |
| 146 | L | 29.3 | Very low | 34.4 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 71% | 0.707 | 77% | 0.768 | S | S | * | * | | | cis | 157.3 | 115.6 | -29.6 | 170.7 | 74.5 | 0 | 0 | 0 | 104.8 | | |
| 147 | N | 29.5 | Very low | 34.2 | Very low | 116 Ų | 116 | 136.5 Ų | 136.5 | 62% | 0.62 | 77% | 0.774 | S | S | * | * | | | trans | 44.3 | 132.7 | 161.5 | -53.7 | -14.7 | 0 | 0 | 0 | 119.9 | | |
| 148 | H | 32.1 | Very low | 34 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | | | | 179.9 | -171.9 | 101.5 | -88.4 | -63 | 0 | 0 | 0 | 110.5 | | |
| 149 | H | 34.2 | Very low | 33.9 | Very low | 180 Ų | 180 | 133.9 Ų | 133.9 | 83% | 0.833 | 76% | 0.759 | S | S | * | * | | | trans | -93.4 | 166.2 | -157.2 | -97.2 | -112.3 | 0 | 0 | 0 | 115.7 | | |
| 150 | P | 51.2 | Low | 33.7 | Very low | 107 Ų | 107 | 132.9 Ų | 132.9 | 70% | 0.695 | 75% | 0.754 | S | S | * | * | | | trans | -78.2 | -172 | 178.1 | 39.6 | -41.4 | 0 | 0 | 0 | 111.6 | | |
| 151 | P | 45.7 | Very low | 33.4 | Very low | 105 Ų | 105 | 132.7 Ų | 132.7 | 68% | 0.682 | 76% | 0.758 | S | S | * | * | | | cis | -153.1 | 173.6 | 21 | 45.6 | -24.6 | 0 | 0 | 0 | 121.6 | | |
| 152 | L | 29 | Very low | 33.2 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | | | trans | 61.9 | 178.1 | 152.9 | -96.3 | 79.4 | 0 | 0 | 0 | 117.5 | | |
| 153 | P | 43.1 | Very low | 32.9 | Very low | 107 Ų | 107 | 135.6 Ų | 135.6 | 70% | 0.695 | 76% | 0.755 | S | S | * | * | | | | -132.9 | 155 | -55.6 | 36.5 | -21.5 | 0 | 0 | 0 | 114.3 | | |
| 154 | S | 27.3 | Very low | 32.8 | Very low | 121 Ų | 121 | 136 Ų | 136 | 85% | 0.846 | 75% | 0.745 | S | S | * | * | | | trans | 178.8 | 146.6 | 139.4 | 46.9 | 0 | 0 | 0 | 0 | 113.4 | | |
| 155 | L | 33.4 | Very low | 32.9 | Very low | 164 Ų | 164 | 137.7 Ų | 137.7 | 86% | 0.859 | 74% | 0.742 | S | S | * | * | | | trans | -129.7 | 132.6 | 159.8 | -179 | 72 | 0 | 0 | 0 | 106.6 | | |
| 156 | P | 35 | Very low | 32.6 | Very low | 115 Ų | 115 | 138.3 Ų | 138.3 | 75% | 0.747 | 74% | 0.736 | S | S | * | * | | | | -141.9 | 145.4 | 124.5 | 32.6 | -16.8 | 0 | 0 | 0 | 114.6 | | |
| 157 | R | 30.4 | Very low | 32.6 | Very low | 204 Ų | 204 | 139 Ų | 139 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | | | trans | -66.3 | 168.3 | 154.7 | -112 | 179.7 | 62.7 | 159.5 | 1.1 | 109.2 | | |
| 158 | P | 39.6 | Very low | 32.4 | Very low | 91 Ų | 91 | 139.7 Ų | 139.7 | 59% | 0.591 | 74% | 0.739 | S | S | * | * | | | cis | -154 | -170.9 | 39.9 | 38.7 | -14.4 | 0 | 0 | 0 | 117.8 | | |
| 159 | Q | 27.3 | Very low | 32.3 | Very low | 140 Ų | 140 | 138.6 Ų | 138.6 | 65% | 0.654 | 74% | 0.738 | S | S | * | * | | | trans | 65.4 | 158.7 | 160.4 | -53.8 | -50.8 | -17.8 | 0 | 0 | 118.9 | | |
| 160 | H | 30.3 | Very low | 32.7 | Very low | 161 Ų | 161 | 134.7 Ų | 134.7 | 75% | 0.745 | 73% | 0.729 | S | S | * | * | | | cis | -174.9 | 121.9 | -47.2 | -126 | -132.5 | 0 | 0 | 0 | 108.7 | | |
| 161 | S | 25.7 | Very low | 31.8 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 74% | 0.736 | S | S | * | * | | | trans | -175.2 | 146.3 | 164.5 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | | |
| 162 | L | 27.8 | Very low | 30.9 | Very low | 146 Ų | 146 | 138.8 Ų | 138.8 | 76% | 0.764 | 74% | 0.738 | S | S | * | * | | | cis | -164.5 | 130.8 | -21.8 | -118.5 | 163.6 | 0 | 0 | 0 | 107.6 | | |
| 163 | T | 27.2 | Very low | 31 | Very low | 123 Ų | 123 | 138 Ų | 138 | 76% | 0.755 | 73% | 0.734 | S | S | * | * | | | trans | 61.6 | 154 | 167.7 | 61.1 | 0 | 0 | 0 | 0 | 117.7 | | |
| 164 | H | 30.3 | Very low | 30.3 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | | | cis | -157.3 | 149.1 | 6.1 | -141.8 | -146.2 | 0 | 0 | 0 | 111.9 | | |
| 165 | Q | 28.3 | Very low | 30.4 | Very low | 139 Ų | 139 | 143.2 Ų | 143.2 | 65% | 0.65 | 74% | 0.74 | S | S | * | * | | | trans | 60 | 137.6 | 158.4 | -62.4 | -79.3 | 89.4 | 0 | 0 | 119.5 | | |
| 166 | Q | 28.5 | Very low | 30.9 | Very low | 145 Ų | 145 | 140.6 Ų | 140.6 | 68% | 0.678 | 73% | 0.733 | S | S | * | * | | | cis | 81.6 | 127.6 | 21.2 | -155.4 | 174.5 | -28.1 | 0 | 0 | 113 | | |
| 167 | Q | 28.9 | Very low | 30.6 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 69% | 0.692 | 73% | 0.734 | S | S | * | * | | | cis | -161.5 | 177.1 | 7.5 | -125.4 | 174.8 | -64.3 | 0 | 0 | 107.9 | | |
| 168 | D | 25 | Very low | 30.5 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | | | cis | -162 | -171.6 | -9.8 | -148.9 | -26.5 | 0 | 0 | 0 | 110.7 | | |
| 169 | L | 30.6 | Very low | 30.2 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 80% | 0.796 | 74% | 0.743 | S | S | * | * | | | trans | -76 | 178.9 | 160.7 | -121.4 | 67.5 | 0 | 0 | 0 | 111.8 | | |
| 170 | P | 42.3 | Very low | 30.9 | Very low | 98 Ų | 98 | 139.3 Ų | 139.3 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | | | cis | -135.7 | 166.4 | -16.1 | 40.3 | -23.8 | 0 | 0 | 0 | 116.4 | | |
| 171 | Q | 32.5 | Very low | 30.9 | Very low | 181 Ų | 181 | 140 Ų | 140 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | | | trans | 65.2 | 160.4 | 151.8 | -77.1 | -163 | 89.2 | 0 | 0 | 123.5 | | |
| 172 | T | 27 | Very low | 31.1 | Very low | 118 Ų | 118 | 137.9 Ų | 137.9 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | | | trans | 76.2 | 110 | 156.5 | 35.7 | 0 | 0 | 0 | 0 | 123.9 | | |
| 173 | L | 31 | Very low | 31.4 | Very low | 143 Ų | 143 | 138.2 Ų | 138.2 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | | | trans | 63.9 | 134.1 | 131 | -82.9 | 165.3 | 0 | 0 | 0 | 125.2 | | |
| 174 | H | 27.3 | Very low | 31.5 | Very low | 177 Ų | 177 | 138.4 Ų | 138.4 | 82% | 0.819 | 73% | 0.734 | S | S | * | * | | | trans | 95.8 | 150.5 | 148 | -75.3 | 147.9 | 0 | 0 | 0 | 123.3 | | |
| 175 | L | 30.7 | Very low | 31.6 | Very low | 160 Ų | 160 | 138.9 Ų | 138.9 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | | | trans | -102 | 169 | -178.2 | -136.4 | 78.6 | 0 | 0 | 0 | 109.5 | | |
| 176 | P | 44.4 | Very low | 31.6 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | | | | -137.1 | -156.4 | 61.6 | 40.9 | -21 | 0 | 0 | 0 | 111.3 | | |
| 177 | L | 26.8 | Very low | 32.1 | Very low | 147 Ų | 147 | 137 Ų | 137 | 77% | 0.77 | 74% | 0.742 | S | S | * | * | | | cis | -160.5 | 137.7 | 1.7 | -171.7 | 53.2 | 0 | 0 | 0 | 110 | | |
| 178 | S | 28.5 | Very low | 32.1 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 75% | 0.75 | S | S | * | * | | | | 174.1 | 159 | 114.7 | -70.7 | 0 | 0 | 0 | 0 | 113.5 | | |
| 179 | Q | 33.1 | Very low | 32.7 | Very low | 164 Ų | 164 | 143 Ų | 143 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | | | trans | -110.9 | -177.7 | -170.4 | -103.9 | -165.8 | 23.7 | 0 | 0 | 112.8 | | |
| 180 | P | 43.9 | Very low | 33.4 | Very low | 99 Ų | 99 | 141.7 Ų | 141.7 | 64% | 0.643 | 76% | 0.756 | S | S | * | * | | | cis | -109.8 | -153.1 | -1.8 | 34.7 | -15.8 | 0 | 0 | 0 | 110.9 | | |
| 181 | Q | 28.9 | Very low | 33.5 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | cis | -163.3 | 144.7 | 5.4 | -155.2 | 153.5 | 3 | 0 | 0 | 107.2 | | |
| 182 | A | 29.7 | Very low | 34.4 | Very low | 68 Ų | 68 | 139.6 Ų | 139.6 | 56% | 0.562 | 76% | 0.758 | S | S | * | * | | | cis | -141.4 | -124.1 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 183 | H | 34 | Very low | 34.6 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 71% | 0.708 | 77% | 0.769 | S | S | * | * | | | trans | -153.1 | 161.7 | -156.6 | -27.8 | -66.5 | 0 | 0 | 0 | 108.8 | | |
| 184 | T | 30.3 | Very low | 34.9 | Very low | 127 Ų | 127 | 140 Ų | 140 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | | | cis | -147.5 | 148.4 | 21 | 35.3 | 0 | 0 | 0 | 0 | 110.2 | | |
| 185 | Q | 33 | Very low | 35.1 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | | | | 51.7 | 139.6 | 84.6 | -78.9 | -124.1 | 72.8 | 0 | 0 | 116 | | |
| 186 | S | 28.2 | Very low | 35.5 | Very low | 91 Ų | 91 | 140 Ų | 140 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | | | cis | -154.2 | -168.9 | 7.2 | -156.2 | 0 | 0 | 0 | 0 | 113.7 | | |
| 187 | L | 39.1 | Very low | 35.2 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | | | trans | -69.2 | 157.2 | 179.9 | -64.4 | 74 | 0 | 0 | 0 | 113.9 | | |
| 188 | R | 28.3 | Very low | 35.5 | Very low | 230 Ų | 230 | 140.7 Ų | 140.7 | 87% | 0.868 | 77% | 0.767 | S | S | * | * | | | | 174.4 | 158.6 | 124.6 | -78.8 | -121.6 | 86.9 | 170.3 | 3.7 | 112.9 | | |
| 189 | H | 38.2 | Very low | 35.6 | Very low | 174 Ų | 174 | 138 Ų | 138 | 81% | 0.806 | 76% | 0.757 | S | S | * | * | | | trans | -133.1 | 164.8 | 157.1 | -38.5 | -83.8 | 0 | 0 | 0 | 107.7 | | |
| 190 | P | 44.8 | Very low | 36 | Very low | 124 Ų | 124 | 136.4 Ų | 136.4 | 81% | 0.805 | 76% | 0.761 | S | S | * | * | | | cis | -97.4 | -128.3 | -21.7 | 41.8 | -28.5 | 0 | 0 | 0 | 107.3 | | |
| 191 | P | 43.5 | Very low | 35.3 | Very low | 114 Ų | 114 | 137.7 Ų | 137.7 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | | | cis | -116.3 | -176.1 | -13.9 | 42.6 | -27.3 | 0 | 0 | 0 | 113.7 | | |
| 192 | P | 52.7 | Low | 35.3 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | | | trans | -95.1 | 155.5 | 177.7 | 37.4 | -34.3 | 0 | 0 | 0 | 114.4 | | |
| 193 | L | 31.2 | Very low | 35.3 | Very low | 183 Ų | 183 | 143.9 Ų | 143.9 | 96% | 0.958 | 78% | 0.783 | S | S | * | * | | | trans | -163.4 | 160 | 149 | -112.4 | 169.9 | 0 | 0 | 0 | 110 | | |
| 194 | A | 36 | Very low | 35.3 | Very low | 87 Ų | 87 | 143.9 Ų | 143.9 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | | | trans | -114 | 148.5 | -175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | | |
| 195 | L | 31.9 | Very low | 35.1 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | | | trans | -152.2 | 111.9 | 159.4 | -114.4 | 158.6 | 0 | 0 | 0 | 110.9 | | |
| 196 | H | 39.3 | Very low | 34.8 | Very low | 163 Ų | 163 | 141.6 Ų | 141.6 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | -72.9 | 159.8 | 166 | -141.9 | -119 | 0 | 0 | 0 | 109.1 | | |
| 197 | P | 38.6 | Very low | 34.8 | Very low | 102 Ų | 102 | 143 Ų | 143 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | | | | -147 | 165.8 | 122.3 | 39.9 | -26.5 | 0 | 0 | 0 | 115.6 | | |
| 198 | Q | 32.9 | Very low | 34.3 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | | | trans | 62.5 | 94.2 | 166.2 | -44.3 | -47.7 | -20.9 | 0 | 0 | 119.6 | | |
| 199 | G | 29.3 | Very low | 34.4 | Very low | 56 Ų | 56 | 139.9 Ų | 139.9 | 58% | 0.577 | 77% | 0.772 | S | S | * | * | | | | -98.8 | -148.7 | 124.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 200 | P | 42.5 | Very low | 34.3 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | | | cis | -126.8 | 178.3 | -17.9 | 41.2 | -27.7 | 0 | 0 | 0 | 112.1 | | |
| 201 | S | 28.3 | Very low | 33.5 | Very low | 126 Ų | 126 | 135.7 Ų | 135.7 | 88% | 0.881 | 77% | 0.767 | S | S | * | * | | | trans | -149.6 | 127.7 | 160.8 | 49.1 | 0 | 0 | 0 | 0 | 113.1 | | |
| 202 | R | 29.5 | Very low | 32.9 | Very low | 225 Ų | 225 | 139 Ų | 139 | 85% | 0.849 | 78% | 0.778 | S | S | * | * | | | trans | -144.2 | 111.3 | 176 | 175 | -167.4 | 176.4 | -94.8 | 2.9 | 109.7 | | |
| 203 | L | 29.8 | Very low | 31.7 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | -138.3 | 123.4 | 164.7 | -78.7 | 167.8 | 0 | 0 | 0 | 105.8 | | |
| 204 | Q | 33.1 | Very low | 31.8 | Very low | 153 Ų | 153 | 137.2 Ų | 137.2 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | | | | 64.8 | 148.1 | 81.7 | -69.9 | -152.5 | 91 | 0 | 0 | 113.2 | | |
| 205 | T | 27.8 | Very low | 32 | Very low | 119 Ų | 119 | 137.7 Ų | 137.7 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | | | cis | -105.3 | -162.1 | 5.6 | 54.4 | 0 | 0 | 0 | 0 | 110.4 | | |
| 206 | L | 26 | Very low | 32.2 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 69% | 0.686 | 77% | 0.768 | S | S | * | * | | | cis | -153 | 160.5 | -1.6 | -168.5 | 54.2 | 0 | 0 | 0 | 110 | Q208 | L206-Q208 HydrophobicContact CD2-CG 3.82Å; L206-Q208 HydrophobicContact CG-CG 4.12Å |
| 207 | T | 27.3 | Very low | 31.6 | Very low | 120 Ų | 120 | 133.6 Ų | 133.6 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | | | trans | -126.6 | 133 | 157 | -55.6 | 0 | 0 | 0 | 0 | 108.3 | | |
| 208 | Q | 30.3 | Very low | 32 | Very low | 159 Ų | 159 | 134.8 Ų | 134.8 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | | | trans | -137.6 | 116.2 | 174.5 | -89.3 | -78.7 | 84.2 | 0 | 0 | 109.8 | L206 | L206-Q208 HydrophobicContact CD2-CG 3.82Å; L206-Q208 HydrophobicContact CG-CG 4.12Å |
| 209 | H | 28.8 | Very low | 32.9 | Very low | 159 Ų | 159 | 132.2 Ų | 132.2 | 74% | 0.736 | 77% | 0.767 | S | S | * | * | | | trans | -79.4 | 155.1 | 155 | -72.9 | -95.2 | 0 | 0 | 0 | 108.5 | | |
| 210 | P | 36.3 | Very low | 32.9 | Very low | 125 Ų | 125 | 133.4 Ų | 133.4 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | | | | -117.8 | 158.2 | 109.7 | -9.1 | 27.9 | 0 | 0 | 0 | 113.1 | | |
| 211 | A | 29 | Very low | 32.5 | Very low | 85 Ų | 85 | 133.8 Ų | 133.8 | 70% | 0.702 | 77% | 0.772 | S | S | * | * | | | trans | -101.7 | 179.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 212 | L | 30.8 | Very low | 32.9 | Very low | 184 Ų | 184 | 135.4 Ų | 135.4 | 96% | 0.963 | 77% | 0.767 | S | S | * | * | | | trans | 87 | 129.3 | -177.9 | -52.4 | 168.6 | 0 | 0 | 0 | 114.7 | | |
| 213 | G | 27.6 | Very low | 32.9 | Very low | 73 Ų | 73 | 131.1 Ų | 131.1 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | | | trans | 128.7 | 69 | 172.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 214 | H | 33.9 | Very low | 33.1 | Very low | 194 Ų | 194 | 132.4 Ų | 132.4 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | | | | -81.3 | 138.7 | 129 | -79.1 | 57 | 0 | 0 | 0 | 105.1 | | |
| 215 | P | 39.8 | Very low | 33 | Very low | 97 Ų | 97 | 132.9 Ų | 132.9 | 63% | 0.63 | 77% | 0.765 | S | S | * | * | | | | -148.6 | -179.8 | 73.1 | 43 | -26.9 | 0 | 0 | 0 | 114.9 | | |
| 216 | Q | 34.7 | Very low | 33.1 | Very low | 189 Ų | 189 | 135.4 Ų | 135.4 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | | | trans | 60.7 | 152.4 | 158.9 | -70.6 | 156 | -93.3 | 0 | 0 | 116.6 | | |
| 217 | G | 26.7 | Very low | 33.3 | Very low | 61 Ų | 61 | 136.8 Ų | 136.8 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | | | cis | 151.7 | 146.9 | 4.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 218 | P | 48.2 | Very low | 34.4 | Very low | 126 Ų | 126 | 136.6 Ų | 136.6 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | | | trans | -88.9 | -163.4 | -176.8 | 43.9 | -40.9 | 0 | 0 | 0 | 109.3 | | |
| 219 | P | 51.4 | Low | 35 | Very low | 116 Ų | 116 | 135 Ų | 135 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | | | cis | -143.5 | -163.7 | 4.4 | 40.2 | -17.8 | 0 | 0 | 0 | 116.1 | | |
| 220 | A | 29.4 | Very low | 35 | Very low | 82 Ų | 82 | 130.7 Ų | 130.7 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | | | trans | 85.8 | 115.2 | 139.8 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 221 | V | 34.6 | Very low | 35.2 | Very low | 139 Ų | 139 | 130.5 Ų | 130.5 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | S | Bend | | -117.7 | 155.6 | 107.8 | -162.5 | 0 | 0 | 0 | 0 | 108.2 | | |
| 222 | M | 35.1 | Very low | 35.2 | Very low | 160 Ų | 160 | 135.1 Ų | 135.1 | 79% | 0.788 | 78% | 0.784 | S | S | * | * | | | trans | -64.8 | 146.8 | -175.3 | -73.8 | 162.5 | -73.8 | 0 | 0 | 112.9 | | |
| 223 | L | 30 | Very low | 35.2 | Very low | 135 Ų | 135 | 131.4 Ų | 131.4 | 71% | 0.707 | 78% | 0.78 | S | S | * | * | | | cis | 85 | 85.3 | 42.7 | -163.6 | 176.4 | 0 | 0 | 0 | 113.4 | | |
| 224 | Q | 34.9 | Very low | 35.3 | Very low | 174 Ų | 174 | 133 Ų | 133 | 81% | 0.813 | 78% | 0.78 | S | S | * | * | | | trans | -179.3 | 135 | 141.7 | -100.2 | 143.9 | 99.9 | 0 | 0 | 107.2 | | |
| 225 | Q | 30.1 | Very low | 35.3 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 76% | 0.757 | 78% | 0.778 | S | S | * | * | | | cis | 107.9 | 143.8 | 23.3 | -172.1 | 160.7 | 88.5 | 0 | 0 | 112.4 | | |
| 226 | Q | 30.8 | Very low | 34.9 | Very low | 172 Ų | 172 | 139.3 Ų | 139.3 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | | | trans | 78 | 113.6 | 177.1 | -77 | 154.7 | -107.8 | 0 | 0 | 121 | | |
| 227 | L | 29.8 | Very low | 35 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | | | trans | -93.1 | 174.2 | 133.2 | -87.7 | 73.3 | 0 | 0 | 0 | 108.1 | | |
| 228 | P | 50.1 | Low | 35.7 | Very low | 115 Ų | 115 | 140.6 Ų | 140.6 | 75% | 0.747 | 79% | 0.792 | S | S | * | * | | | cis | -119.3 | -169.1 | -35.9 | 42.8 | -28.1 | 0 | 0 | 0 | 109.7 | | |
| 229 | P | 43.8 | Very low | 34.9 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | | -146.9 | -172.2 | 70.8 | 36 | -12.9 | 0 | 0 | 0 | 114.8 | | |
| 230 | G | 27.5 | Very low | 34 | Very low | 68 Ų | 68 | 140.3 Ų | 140.3 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | | | trans | -94.5 | -155.5 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 231 | P | 41.2 | Very low | 34 | Very low | 121 Ų | 121 | 144 Ų | 144 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | cis | -139.4 | -179 | 7.6 | 44.4 | -26.8 | 0 | 0 | 0 | 116.8 | | |
| 232 | Q | 29.6 | Very low | 34 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 86% | 0.855 | 80% | 0.795 | S | S | * | * | | | trans | 44.1 | 111 | 151.2 | -68.3 | -71.1 | -3.4 | 0 | 0 | 121.5 | | |
| 233 | A | 30.6 | Very low | 34.8 | Very low | 105 Ų | 105 | 139.4 Ų | 139.4 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | trans | -154.5 | 140.9 | 149.1 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 234 | S | 29.6 | Very low | 35.6 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | | | trans | -110.7 | 125.2 | -171.7 | 176.3 | 0 | 0 | 0 | 0 | 113.8 | | |
| 235 | R | 33 | Very low | 35.6 | Very low | 226 Ų | 226 | 137 Ų | 137 | 85% | 0.853 | 79% | 0.793 | S | S | * | * | | | | 179 | 142.5 | 115.4 | -102.6 | -171.4 | -91.8 | -153 | -2.7 | 115.3 | | |
| 236 | K | 30.9 | Very low | 35.8 | Very low | 196 Ų | 196 | 135.9 Ų | 135.9 | 85% | 0.852 | 80% | 0.797 | S | S | * | * | | | trans | 35.5 | 115.1 | 151.4 | -69.2 | -169.4 | 170.4 | -170.1 | 0 | 120.3 | | |
| 237 | L | 36.8 | Very low | 36.2 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 136.2 | 163.9 | -177.5 | 72.6 | 0 | 0 | 0 | 113.5 | | |
| 238 | P | 42.6 | Very low | 36.4 | Very low | 112 Ų | 112 | 132.1 Ų | 132.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -96.8 | 150.2 | 152 | -0.6 | 21.5 | 0 | 0 | 0 | 111.6 | | |
| 239 | D | 30.3 | Very low | 35.7 | Very low | 168 Ų | 168 | 131.2 Ų | 131.2 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 151.3 | 177.9 | -163.9 | -126.1 | 0 | 0 | 0 | 112.1 | | |
| 240 | G | 33.9 | Very low | 35.5 | Very low | 69 Ų | 69 | 131.6 Ų | 131.6 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | -169.1 | 92.9 | -172 | 0 | 0 | 0 | 0 | 0 | 117.1 | | |
| 241 | D | 29.6 | Very low | 35.9 | Very low | 159 Ų | 159 | 134.6 Ų | 134.6 | 85% | 0.85 | 80% | 0.799 | S | S | * | * | | | trans | 41.9 | 141.4 | 146.6 | -124.8 | -75.4 | 0 | 0 | 0 | 124 | | |
| 242 | A | 34.7 | Very low | 36.1 | Very low | 84 Ų | 84 | 133.5 Ų | 133.5 | 69% | 0.694 | 80% | 0.8 | S | S | * | * | | | trans | 74.9 | 150.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 121 | | |
| 243 | P | 51.6 | Low | 36.5 | Very low | 118 Ų | 118 | 131.8 Ų | 131.8 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | | | trans | -100.7 | 172.4 | -166.8 | 41.1 | -37.7 | 0 | 0 | 0 | 114.6 | | |
| 244 | P | 45.8 | Very low | 36.8 | Very low | 110 Ų | 110 | 132.1 Ų | 132.1 | 71% | 0.714 | 79% | 0.789 | S | S | * | * | | | | -148.6 | 157.4 | 107.1 | 38.6 | -23.6 | 0 | 0 | 0 | 117.3 | | |
| 245 | N | 35.2 | Very low | 37.5 | Very low | 149 Ų | 149 | 133.9 Ų | 133.9 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | trans | 30.4 | 125 | 144.5 | -55.2 | -24.7 | 0 | 0 | 0 | 121.7 | | |
| 246 | V | 34.8 | Very low | 38 | Very low | 139 Ų | 139 | 128.4 Ų | 128.4 | 84% | 0.842 | 79% | 0.786 | S | S | * | * | | | trans | -129.9 | 122.6 | 143.8 | -179.5 | 0 | 0 | 0 | 0 | 109.5 | V248 | V246-V248 HydrophobicContact CG1-CG2 4.4Š|
| 247 | T | 38.1 | Very low | 38.7 | Very low | 121 Ų | 121 | 127.9 Ų | 127.9 | 74% | 0.742 | 79% | 0.788 | S | S | * | * | | | trans | -102.5 | 131.9 | 176.3 | -57.6 | 0 | 0 | 0 | 0 | 109.8 | | |
| 248 | V | 35.2 | Very low | 39 | Very low | 133 Ų | 133 | 124 Ų | 124 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | | | trans | -132.7 | 115.5 | 165.5 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | V246 | V246-V248 HydrophobicContact CG1-CG2 4.4Š|
| 249 | S | 35.2 | Very low | 38.6 | Very low | 96 Ų | 96 | 123.3 Ų | 123.3 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | | | trans | -87.2 | 147 | 176.3 | -57.1 | 0 | 0 | 0 | 0 | 111.5 | | |
| 250 | T | 38.4 | Very low | 39 | Very low | 134 Ų | 134 | 118.8 Ų | 118.8 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | | | | -175.2 | 148.3 | 125.7 | 19.3 | 0 | 0 | 0 | 0 | 113 | | |
| 251 | S | 37 | Very low | 39.2 | Very low | 130 Ų | 130 | 124.3 Ų | 124.3 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | trans | 64.6 | 150.5 | 179.3 | 76.5 | 0 | 0 | 0 | 0 | 116 | | |
| 252 | A | 45 | Very low | 39.8 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | | | trans | -135.6 | 147.7 | -161.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 253 | I | 38.3 | Very low | 39.9 | Very low | 147 Ų | 147 | 128.7 Ų | 128.7 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | | | trans | -129.5 | 131.4 | 167.9 | -57.3 | 177.7 | 0 | 0 | 0 | 106.4 | L255 | I253-L255 PolarHBondContact O-N 3.08Å; I253-L255 VanDerWaalsContact O-N 3.08Å |
| 254 | P | 36.8 | Very low | 39.5 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | | | trans | -70.7 | 105.8 | -174.6 | 26.8 | -34.1 | 0 | 0 | 0 | 112.1 | S256 | P254-S256 PolarHBondContact O-N 2.92Š|
| 255 | L | 44.2 | Very low | 39.3 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | | | trans | -77.5 | 53.1 | 177.2 | -72.8 | 175.2 | 0 | 0 | 0 | 113.3 | I253 M257 A258 | I253-L255 PolarHBondContact O-N 3.08Å; I253-L255 VanDerWaalsContact O-N 3.08Å; L255-M257 PolarHBondContact O-N 2.64Å; L255-A258 HydrophobicContact CB-CB 4.32Å; L255-A258 PolarHBondContact O-N 2.92Å |
| 256 | S | 43.4 | Very low | 39.7 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 47.9 | 174 | -61.2 | 0 | 0 | 0 | 0 | 113.2 | P254 | P254-S256 PolarHBondContact O-N 2.92Š|
| 257 | M | 45.5 | Very low | 40.5 | Very low | 185 Ų | 185 | 133.6 Ų | 133.6 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -158.4 | 3.8 | 168.6 | -118.5 | -176.7 | -65.6 | 0 | 0 | 114.4 | L255 A259 | L255-M257 PolarHBondContact O-N 2.64Å; M257-A259 PolarHBondContact O-N 3.13Å; M257-A259 VanDerWaalsContact O-N 3.08Å |
| 258 | A | 42.8 | Very low | 41.5 | Very low | 83 Ų | 83 | 132.3 Ų | 132.3 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | | | trans | -87.4 | 60.8 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L255 | L255-A258 HydrophobicContact CB-CB 4.32Å; L255-A258 PolarHBondContact O-N 2.92Å |
| 259 | A | 34.9 | Very low | 43.2 | Very low | 99 Ų | 99 | 132.2 Ų | 132.2 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | | | trans | -138.9 | 116.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | M257 | M257-A259 PolarHBondContact O-N 3.13Å; M257-A259 VanDerWaalsContact O-N 3.08Å |
| 260 | G | 37.7 | Very low | 44.5 | Very low | 73 Ų | 73 | 130.2 Ų | 130.2 | 75% | 0.753 | 76% | 0.759 | S | S | * | * | | | trans | 116.1 | 31.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | H262 | G260-H262 PolarHBondContact O-N 3.34Š|
| 261 | M | 38.6 | Very low | 46.2 | Very low | 184 Ų | 184 | 126.6 Ų | 126.6 | 91% | 0.906 | 74% | 0.739 | S | S | * | * | | | trans | -73.5 | 56.7 | 171.3 | -81.7 | -91.3 | 71.5 | 0 | 0 | 113.3 | | |
| 262 | H | 43.5 | Very low | 48.3 | Very low | 183 Ų | 183 | 124.4 Ų | 124.4 | 85% | 0.847 | 72% | 0.716 | S | S | * | * | | | trans | -147.9 | 73.2 | 173.3 | -88.3 | -59.9 | 0 | 0 | 0 | 112.7 | G260 | G260-H262 PolarHBondContact O-N 3.34Š|
| 263 | Q | 35.5 | Very low | 50.1 | Low | 152 Ų | 152 | 124 Ų | 124 | 71% | 0.71 | 70% | 0.704 | S | S | * | * | | | trans | -167.6 | 129.5 | 133.3 | -111.4 | 171.7 | 20.5 | 0 | 0 | 112.7 | R265 | Q263-R265 PolarHBondContact O-N 3.4Š|
| 264 | V | 44.3 | Very low | 51.9 | Low | 154 Ų | 154 | 122.7 Ų | 122.7 | 93% | 0.933 | 69% | 0.694 | S | S | * | * | | | trans | -75.9 | 98.2 | 158.2 | 177.5 | 0 | 0 | 0 | 0 | 107.3 | | |
| 265 | R | 40.6 | Very low | 53.8 | Low | 202 Ų | 202 | 123.9 Ų | 123.9 | 76% | 0.762 | 69% | 0.69 | S | S | * | * | | | trans | -127.2 | 142.6 | 157.9 | -74.9 | -171.1 | 169.6 | -160.5 | -2.9 | 107.6 | Q263 A267 | Q263-R265 PolarHBondContact O-N 3.4Å; R265-A267 PolarHBondContact O-N 3.08Å |
| 266 | Q | 43.7 | Very low | 55.4 | Low | 191 Ų | 191 | 122.1 Ų | 122.1 | 89% | 0.893 | 68% | 0.681 | S | S | * | * | | | trans | -56.9 | 132.3 | 172.3 | -69.4 | 178.5 | -91.3 | 0 | 0 | 108.7 | D268 | Q266-D268 PolarHBondContact O-N 2.83Š|
| 267 | A | 51.9 | Low | 56.8 | Low | 72 Ų | 72 | 120.7 Ų | 120.7 | 60% | 0.595 | 66% | 0.664 | S | S | * | * | | | trans | -66.6 | 100.8 | 166.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | R265 L269 I272 | R265-A267 PolarHBondContact O-N 3.08Å; A267-L269 PolarHBondContact O-N 3.47Å; A267-I272 HydrophobicContact CB-CD1 4.04Å |
| 268 | D | 59 | Low | 58.3 | Low | 94 Ų | 94 | 118.5 Ų | 118.5 | 50% | 0.503 | 65% | 0.652 | S | S | . | * | | | trans | -57 | 131.5 | 175.7 | 175.1 | 20.8 | 0 | 0 | 0 | 109.3 | Q266 S270 S271 I272 | Q266-D268 PolarHBondContact O-N 2.83Å; D268-S270 PolarHBondContact O-N 2.9Å; D268-S270 VanDerWaalsContact O-N 3.1Å; D268-S270 PolarHBondContact OD1-N 3.18Å; D268-S270 VanDerWaalsContact OD1-N 3.17Å; D268-S270 VanDerWaalsContact OD2-CB 3.25Å; D268-S270 WeakPolarHBondContact OD2-CB 3.37Å; D268-S270 PolarHBondContact OD2-OG 3.32Å; D268-S271 PolarHBondContact O-N 3.37Å; D268-S271 PolarHBondContact O-OG 3.07Å; D268-I272 PolarHBondContact O-N 3.32Å |
| 269 | L | 70.6 | Confident | 59.7 | Low | 132 Ų | 132 | 121 Ų | 121 | 69% | 0.691 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -58.6 | -26.4 | 180 | -65.5 | 172.5 | 0 | 0 | 0 | 111.3 | A267 V273 | A267-L269 PolarHBondContact O-N 3.47Å; L269-V273 WeakPolarHBondContact O-CB 3.44Å; L269-V273 VanDerWaalsContact O-CG2 3.28Å; L269-V273 WeakPolarHBondContact O-CG2 3.43Å; L269-V273 PolarHBondContact O-N 2.84Å |
| 270 | S | 63.7 | Low | 61.3 | Low | 53 Ų | 53 | 119.7 Ų | 119.7 | 37% | 0.371 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -62.3 | -40.1 | 173.4 | 90.9 | 0 | 0 | 0 | 0 | 112.6 | D268 V273 H274 | D268-S270 PolarHBondContact O-N 2.9Å; D268-S270 VanDerWaalsContact O-N 3.1Å; D268-S270 PolarHBondContact OD1-N 3.18Å; D268-S270 VanDerWaalsContact OD1-N 3.17Å; D268-S270 VanDerWaalsContact OD2-CB 3.25Å; D268-S270 WeakPolarHBondContact OD2-CB 3.37Å; D268-S270 PolarHBondContact OD2-OG 3.32Å; S270-V273 PolarHBondContact O-N 3.01Å; S270-H274 WeakPolarHBondContact O-CB 3.16Å; S270-H274 PolarHBondContact O-N 3.24Å; S270-H274 PolarHBondContact O-ND1 3.24Å |
| 271 | S | 73.3 | Confident | 62.6 | Low | 58 Ų | 58 | 121.5 Ų | 121.5 | 41% | 0.406 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -71.7 | -39.5 | -177.6 | 73 | 0 | 0 | 0 | 0 | 111.5 | D268 V273 H274 Q275 | D268-S271 PolarHBondContact O-N 3.37Å; D268-S271 PolarHBondContact O-OG 3.07Å; S271-V273 PolarHBondContact O-N 3.26Å; S271-H274 PolarHBondContact O-N 2.9Å; S271-Q275 WeakPolarHBondContact O-CB 3.24Å; S271-Q275 PolarHBondContact O-N 3.35Å |
| 272 | I | 81.1 | Confident | 63.5 | Low | 84 Ų | 84 | 116.8 Ų | 116.8 | 43% | 0.431 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -61.8 | -44.5 | 175.1 | -59.8 | 172.1 | 0 | 0 | 0 | 110.4 | A267 D268 Q275 L276 | A267-I272 HydrophobicContact CB-CD1 4.04Å; D268-I272 PolarHBondContact O-N 3.32Å; I272-Q275 PolarHBondContact O-N 2.93Å; I272-L276 WeakPolarHBondContact O-CB 3.28Å; I272-L276 PolarHBondContact O-N 3.46Å |
| 273 | V | 83.1 | Confident | 64.1 | Low | 90 Ų | 90 | 116.1 Ų | 116.1 | 55% | 0.545 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.6 | -43.7 | 176.6 | 169.6 | 0 | 0 | 0 | 0 | 111.3 | L269 S270 S271 N277 | L269-V273 WeakPolarHBondContact O-CB 3.44Å; L269-V273 VanDerWaalsContact O-CG2 3.28Å; L269-V273 WeakPolarHBondContact O-CG2 3.43Å; L269-V273 PolarHBondContact O-N 2.84Å; S270-V273 PolarHBondContact O-N 3.01Å; S271-V273 PolarHBondContact O-N 3.26Å; V273-N277 WeakPolarHBondContact O-CB 3.46Å; V273-N277 PolarHBondContact O-N 3.29Å |
| 274 | H | 74.9 | Confident | 64.9 | Low | 119 Ų | 119 | 111.8 Ų | 111.8 | 55% | 0.551 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64 | -41.5 | 176.5 | -72.3 | 116.4 | 0 | 0 | 0 | 112.6 | S270 S271 N277 Q278 | S270-H274 WeakPolarHBondContact O-CB 3.16Å; S270-H274 PolarHBondContact O-N 3.24Å; S270-H274 PolarHBondContact O-ND1 3.24Å; S271-H274 PolarHBondContact O-N 2.9Å; H274-N277 PolarHBondContact O-N 2.9Å; H274-Q278 PolarHBondContact O-N 2.88Å |
| 275 | Q | 77.5 | Confident | 65.1 | Low | 139 Ų | 139 | 112.9 Ų | 112.9 | 65% | 0.65 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.3 | -44.4 | 177.8 | -175.2 | 177 | -7 | 0 | 0 | 111.9 | S271 I272 N277 Q278 F279 | S271-Q275 WeakPolarHBondContact O-CB 3.24Å; S271-Q275 PolarHBondContact O-N 3.35Å; I272-Q275 PolarHBondContact O-N 2.93Å; Q275-N277 VanDerWaalsContact C-N 3.34Å; Q275-Q278 PolarHBondContact O-N 3.46Å; Q275-F279 PolarHBondContact O-N 3.35Å |
| 276 | L | 77.9 | Confident | 65.3 | Low | 107 Ų | 107 | 105.9 Ų | 105.9 | 56% | 0.56 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -63.7 | -40.7 | 174.6 | -176.9 | 63.5 | 0 | 0 | 0 | 111.4 | I272 F279 C280 | I272-L276 WeakPolarHBondContact O-CB 3.28Å; I272-L276 PolarHBondContact O-N 3.46Å; L276-F279 PolarHBondContact O-N 3.4Å; L276-C280 PolarHBondContact O-N 2.91Å; L276-C280 PolarHBondContact O-SG 3.31Å |
| 277 | N | 73.2 | Confident | 65.5 | Low | 80 Ų | 80 | 103.6 Ų | 103.6 | 43% | 0.428 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.9 | -40.8 | 179.1 | -165.3 | 8 | 0 | 0 | 0 | 111.8 | V273 H274 Q275 C280 Q281 | V273-N277 WeakPolarHBondContact O-CB 3.46Å; V273-N277 PolarHBondContact O-N 3.29Å; H274-N277 PolarHBondContact O-N 2.9Å; Q275-N277 VanDerWaalsContact C-N 3.34Å; N277-C280 PolarHBondContact O-N 2.95Å; N277-Q281 PolarHBondContact ND2-NE2 3.44Å; N277-Q281 WeakPolarHBondContact O-CB 3.32Å; N277-Q281 VanDerWaalsContact O-CG 3.24Å; N277-Q281 WeakPolarHBondContact O-CG 3.5Å; N277-Q281 PolarHBondContact O-N 2.93Å; N277-Q281 PolarHBondContact O-NE2 3.05Å; N277-Q281 PolarHBondContact OD1-NE2 3.48Å |
| 278 | Q | 76.3 | Confident | 65.1 | Low | 139 Ų | 139 | 102.9 Ų | 102.9 | 65% | 0.65 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -60.2 | -44.1 | 170.8 | -79.4 | -171.6 | -12.7 | 0 | 0 | 112.1 | H274 Q275 C280 Q281 A282 | H274-Q278 PolarHBondContact O-N 2.88Å; Q275-Q278 PolarHBondContact O-N 3.46Å; Q278-C280 PolarHBondContact O-N 3.45Å; Q278-Q281 PolarHBondContact O-N 3.5Å; Q278-A282 WeakPolarHBondContact O-CB 3.25Å; Q278-A282 PolarHBondContact O-N 3.37Å |
| 279 | F | 71.6 | Confident | 64.8 | Low | 135 Ų | 135 | 104.7 Ų | 104.7 | 59% | 0.592 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62 | -41.3 | 177 | -175.4 | -102.3 | 0 | 0 | 0 | 112.2 | Q275 L276 R283 | Q275-F279 PolarHBondContact O-N 3.35Å; L276-F279 PolarHBondContact O-N 3.4Å; F279-R283 PolarHBondContact O-N 3Å |
| 280 | C | 68.4 | Low | 63.7 | Low | 72 Ų | 72 | 106.1 Ų | 106.1 | 49% | 0.486 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -65.8 | -39.3 | 174.1 | -69.2 | 0 | 0 | 0 | 0 | 112.7 | L276 N277 Q278 R283 G284 | L276-C280 PolarHBondContact O-N 2.91Å; L276-C280 PolarHBondContact O-SG 3.31Å; N277-C280 PolarHBondContact O-N 2.95Å; Q278-C280 PolarHBondContact O-N 3.45Å; C280-R283 PolarHBondContact O-N 2.86Å; C280-G284 PolarHBondContact O-N 3.05Å; C280-G284 VanDerWaalsContact O-N 3.07Å |
| 281 | Q | 65.8 | Low | 62.6 | Low | 112 Ų | 112 | 108.6 Ų | 108.6 | 52% | 0.523 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -67.9 | -43.1 | 178 | -73.6 | 168.9 | 48.3 | 0 | 0 | 112.3 | N277 Q278 R283 G284 Q285 | N277-Q281 PolarHBondContact ND2-NE2 3.44Å; N277-Q281 WeakPolarHBondContact O-CB 3.32Å; N277-Q281 VanDerWaalsContact O-CG 3.24Å; N277-Q281 WeakPolarHBondContact O-CG 3.5Å; N277-Q281 PolarHBondContact O-N 2.93Å; N277-Q281 PolarHBondContact O-NE2 3.05Å; N277-Q281 PolarHBondContact OD1-NE2 3.48Å; Q278-Q281 PolarHBondContact O-N 3.5Å; Q281-R283 PolarHBondContact O-N 3.1Å; Q281-G284 PolarHBondContact O-N 2.97Å; Q281-Q285 PolarHBondContact O-N 3.44Å |
| 282 | A | 57.4 | Low | 61.2 | Low | 84 Ų | 84 | 113.7 Ų | 113.7 | 69% | 0.694 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -59.2 | -31.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q278 | Q278-A282 WeakPolarHBondContact O-CB 3.25Å; Q278-A282 PolarHBondContact O-N 3.37Å |
| 283 | R | 56.7 | Low | 59.2 | Low | 170 Ų | 170 | 115.6 Ų | 115.6 | 64% | 0.642 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -84.6 | -13.5 | 175.7 | -159.5 | 169.8 | -173.4 | 165.7 | 2.3 | 114.1 | F279 C280 Q281 | F279-R283 PolarHBondContact O-N 3Å; C280-R283 PolarHBondContact O-N 2.86Å; Q281-R283 PolarHBondContact O-N 3.1Å |
| 284 | G | 51.6 | Low | 57.4 | Low | 60 Ų | 60 | 119.9 Ų | 119.9 | 62% | 0.619 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -95 | -11.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | C280 Q281 | C280-G284 PolarHBondContact O-N 3.05Å; C280-G284 VanDerWaalsContact O-N 3.07Å; Q281-G284 PolarHBondContact O-N 2.97Å |
| 285 | Q | 49.3 | Very low | 55.6 | Low | 178 Ų | 178 | 117.6 Ų | 117.6 | 83% | 0.832 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -103.5 | 42.8 | -178.8 | -70.9 | -74.1 | -25.4 | 0 | 0 | 112 | Q281 | Q281-Q285 PolarHBondContact O-N 3.44Š|
| 286 | G | 43.5 | Very low | 53.8 | Low | 54 Ų | 54 | 119.4 Ų | 119.4 | 56% | 0.557 | 69% | 0.692 | S | S | * | * | | | trans | -121.9 | 116.3 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | G288 | G286-G288 VanDerWaalsContact C-N 3.26Å; G286-G288 PolarHBondContact O-N 3.19Å |
| 287 | P | 48.7 | Very low | 51.7 | Low | 144 Ų | 144 | 122.5 Ų | 122.5 | 94% | 0.935 | 71% | 0.709 | S | S | * | * | | | trans | -77.1 | 75.6 | 175.6 | 32.3 | -34.4 | 0 | 0 | 0 | 110.4 | | |
| 288 | G | 44.3 | Very low | 49.9 | Very low | 57 Ų | 57 | 123.2 Ų | 123.2 | 59% | 0.588 | 73% | 0.726 | S | S | * | * | | | trans | -168.6 | 105.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | G286 | G286-G288 VanDerWaalsContact C-N 3.26Å; G286-G288 PolarHBondContact O-N 3.19Å |
| 289 | V | 51.5 | Low | 48 | Very low | 132 Ų | 132 | 123 Ų | 123 | 80% | 0.8 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -60.5 | 148.2 | 147.3 | -86.9 | 0 | 0 | 0 | 0 | 108.8 | | |
| 290 | N | 48.1 | Very low | 46.5 | Very low | 162 Ų | 162 | 122.3 Ų | 122.3 | 87% | 0.866 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 73.7 | 54.7 | 174.9 | -40.9 | -34.6 | 0 | 0 | 0 | 116 | | |
| 291 | S | 41.1 | Very low | 44.9 | Very low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | | | trans | -138.1 | 108.2 | 158 | -172.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 292 | M | 43.4 | Very low | 43.7 | Very low | 165 Ų | 165 | 124.2 Ų | 124.2 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | | | trans | -120.1 | 139.1 | 158.5 | -64.5 | -154.6 | -58.9 | 0 | 0 | 107 | E294 | M292-E294 PolarHBondContact O-N 3.32Š|
| 293 | C | 38.4 | Very low | 43 | Very low | 124 Ų | 124 | 127.7 Ų | 127.7 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | | | trans | -58.3 | 127.2 | -167.1 | -57.7 | 0 | 0 | 0 | 0 | 112.7 | G295 | C293-G295 PolarHBondContact O-N 2.82Š|
| 294 | E | 46.8 | Very low | 42.3 | Very low | 181 Ų | 181 | 122.7 Ų | 122.7 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | | | trans | -62.4 | 128.1 | 159 | -170.2 | -179.9 | 140.4 | 0 | 0 | 108.8 | M292 | M292-E294 PolarHBondContact O-N 3.32Š|
| 295 | G | 35.7 | Very low | 42.1 | Very low | 70 Ų | 70 | 130.3 Ų | 130.3 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | | | trans | -163.2 | 105.9 | -176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | C293 L297 | C293-G295 PolarHBondContact O-N 2.82Å; G295-L297 PolarHBondContact O-N 2.83Å |
| 296 | H | 39.8 | Very low | 41.8 | Very low | 177 Ų | 177 | 127.5 Ų | 127.5 | 82% | 0.819 | 76% | 0.758 | S | S | * | * | | | trans | -69.1 | 123.1 | -169.5 | -97.1 | 75.3 | 0 | 0 | 0 | 113.4 | | |
| 297 | L | 33.7 | Very low | 42.1 | Very low | 173 Ų | 173 | 130.9 Ų | 130.9 | 91% | 0.906 | 76% | 0.763 | S | S | * | * | | | trans | -155.5 | 150.1 | 143.6 | -101.2 | 157 | 0 | 0 | 0 | 107.5 | G295 | G295-L297 PolarHBondContact O-N 2.83Š|
| 298 | A | 36.3 | Very low | 42.1 | Very low | 95 Ų | 95 | 130.9 Ų | 130.9 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | | | trans | -82.4 | 146.2 | -145.6 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 299 | N | 36.9 | Very low | 42.2 | Very low | 133 Ų | 133 | 133.5 Ų | 133.5 | 71% | 0.711 | 75% | 0.754 | S | S | * | * | | | trans | 58.1 | 84.8 | 155.5 | -167.6 | 11.8 | 0 | 0 | 0 | 119.6 | | |
| 300 | P | 40.3 | Very low | 41.7 | Very low | 122 Ų | 122 | 131.3 Ų | 131.3 | 79% | 0.792 | 74% | 0.744 | S | S | * | * | | | trans | -89.8 | 114.5 | 148.9 | 33.4 | -27 | 0 | 0 | 0 | 111.4 | | |
| 301 | S | 33.8 | Very low | 41.2 | Very low | 87 Ų | 87 | 127 Ų | 127 | 61% | 0.608 | 73% | 0.732 | S | S | * | * | | | trans | -64.8 | 151.3 | 172.2 | -63.8 | 0 | 0 | 0 | 0 | 112.5 | I303 | S301-I303 PolarHBondContact O-N 3.45Š|
| 302 | P | 40.7 | Very low | 41.1 | Very low | 136 Ų | 136 | 127.6 Ų | 127.6 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | | | trans | -77.8 | 90.4 | -165.2 | 30.7 | -36.9 | 0 | 0 | 0 | 114.1 | | |
| 303 | I | 42.6 | Very low | 41 | Very low | 157 Ų | 157 | 124.5 Ų | 124.5 | 81% | 0.805 | 73% | 0.729 | S | S | * | * | | | trans | -82.9 | 137.9 | 166.1 | -72.9 | 178.6 | 0 | 0 | 0 | 110.5 | S301 R305 | S301-I303 PolarHBondContact O-N 3.45Å; I303-R305 PolarHBondContact O-N 2.96Å |
| 304 | S | 42.6 | Very low | 41.3 | Very low | 66 Ų | 66 | 129.5 Ų | 129.5 | 46% | 0.462 | 73% | 0.73 | S | S | . | * | | | trans | -63.7 | 130.3 | -163.2 | 69.6 | 0 | 0 | 0 | 0 | 115.2 | N306 L307 | S304-N306 PolarHBondContact O-N 2.84Å; S304-L307 PolarHBondContact O-N 2.95Å |
| 305 | R | 46.8 | Very low | 40.9 | Very low | 220 Ų | 220 | 127.6 Ų | 127.6 | 83% | 0.83 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -56.6 | -20.1 | 178.4 | -169.6 | 171.1 | -179.4 | 149.1 | -2.2 | 114.5 | I303 | I303-R305 PolarHBondContact O-N 2.96Å |
| 306 | N | 42.5 | Very low | 41 | Very low | 118 Ų | 118 | 129.1 Ų | 129.1 | 63% | 0.631 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -76.8 | -32.3 | -176 | -71.3 | -30.5 | 0 | 0 | 0 | 114 | S304 L308 I309 S310 | S304-N306 PolarHBondContact O-N 2.84Å; N306-L308 PolarHBondContact O-N 3.2Å; N306-I309 PolarHBondContact O-N 2.77Å; N306-S310 PolarHBondContact O-N 2.96Å; N306-S310 PolarHBondContact O-OG 3.46Å |
| 307 | L | 51 | Low | 40.7 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 66% | 0.66 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -65.8 | -38.3 | -176.7 | -102.1 | 72.4 | 0 | 0 | 0 | 112.8 | S304 I309 S310 | S304-L307 PolarHBondContact O-N 2.95Å; L307-I309 VanDerWaalsContact C-N 3.34Å; L307-I309 PolarHBondContact O-N 3.17Å; L307-S310 PolarHBondContact O-N 3.14Å |
| 308 | L | 48.3 | Very low | 40.6 | Very low | 143 Ų | 143 | 130.6 Ų | 130.6 | 75% | 0.749 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -68.7 | -34.4 | -178.1 | -160.3 | 74 | 0 | 0 | 0 | 112.1 | N306 S310 A311 | N306-L308 PolarHBondContact O-N 3.2Å; L308-S310 VanDerWaalsContact C-N 3.34Å; L308-A311 PolarHBondContact O-N 3.03Å |
| 309 | I | 46.1 | Very low | 40.5 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 58% | 0.579 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -66.9 | -37.2 | 178 | -61.5 | 172.2 | 0 | 0 | 0 | 110.5 | N306 L307 A311 | N306-I309 PolarHBondContact O-N 2.77Å; L307-I309 VanDerWaalsContact C-N 3.34Å; L307-I309 PolarHBondContact O-N 3.17Å; I309-A311 VanDerWaalsContact C-N 3.31Å; I309-A311 PolarHBondContact O-N 2.55Å |
| 310 | S | 40.5 | Very low | 40.1 | Very low | 85 Ų | 85 | 132 Ų | 132 | 59% | 0.594 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -66.9 | -26.7 | -179.9 | -56 | 0 | 0 | 0 | 0 | 114.2 | N306 L307 L308 | N306-S310 PolarHBondContact O-N 2.96Å; N306-S310 PolarHBondContact O-OG 3.46Å; L307-S310 PolarHBondContact O-N 3.14Å; L308-S310 VanDerWaalsContact C-N 3.34Å |
| 311 | A | 37.6 | Very low | 40.4 | Very low | 73 Ų | 73 | 131.5 Ų | 131.5 | 60% | 0.603 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -72.1 | -37.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L308 I309 S313 | L308-A311 PolarHBondContact O-N 3.03Å; I309-A311 VanDerWaalsContact C-N 3.31Å; I309-A311 PolarHBondContact O-N 2.55Å; A311-S313 VanDerWaalsContact C-N 3.26Å; A311-S313 PolarHBondContact O-N 3.47Å |
| 312 | C | 38.8 | Very low | 40.4 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 78% | 0.777 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -8.1 | -174.3 | -64.5 | 0 | 0 | 0 | 0 | 114.6 | | |
| 313 | S | 42.7 | Very low | 40.2 | Very low | 101 Ų | 101 | 132 Ų | 132 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.6 | -2 | -168.1 | -164.3 | 0 | 0 | 0 | 0 | 115 | A311 | A311-S313 VanDerWaalsContact C-N 3.26Å; A311-S313 PolarHBondContact O-N 3.47Å |
| 314 | R | 44.7 | Very low | 40.1 | Very low | 229 Ų | 229 | 130.6 Ų | 130.6 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -113.5 | 32 | -172.6 | -65.7 | -162.6 | 179.1 | -137.4 | 1.7 | 116.2 | | |
| 315 | V | 38.5 | Very low | 40 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -131.9 | 64.2 | 172.8 | -166.8 | 0 | 0 | 0 | 0 | 112.3 | | |
| 316 | S | 37.8 | Very low | 39.6 | Very low | 101 Ų | 101 | 130.3 Ų | 130.3 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | | | trans | -179.2 | 93.4 | 152.2 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | | |
| 317 | M | 32.4 | Very low | 39.8 | Very low | 186 Ų | 186 | 130 Ų | 130 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | | | trans | -156.7 | 71.5 | 169.7 | -78.9 | -52.7 | 158 | 0 | 0 | 113.3 | | |
| 318 | H | 31.4 | Very low | 39.7 | Very low | 195 Ų | 195 | 129.1 Ų | 129.1 | 90% | 0.903 | 76% | 0.764 | S | S | * | * | | | trans | -156.8 | 133.7 | 163.1 | -90.1 | 17.2 | 0 | 0 | 0 | 106.1 | | |
| 319 | S | 33.7 | Very low | 39.6 | Very low | 107 Ų | 107 | 128.4 Ų | 128.4 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | cis | -131.7 | -179.2 | -7.7 | 58 | 0 | 0 | 0 | 0 | 107.7 | | |
| 320 | N | 30.1 | Very low | 38.8 | Very low | 151 Ų | 151 | 130.4 Ų | 130.4 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | | | cis | -158.1 | 177.5 | 33.9 | -140.6 | 27.6 | 0 | 0 | 0 | 109.1 | | |
| 321 | P | 45.7 | Very low | 38.3 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | | | trans | -93.7 | 176 | -168.9 | 37.8 | -36.4 | 0 | 0 | 0 | 115.9 | | |
| 322 | A | 33.9 | Very low | 38 | Very low | 93 Ų | 93 | 135.3 Ų | 135.3 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | | | trans | 87.9 | 81.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 120.4 | | |
| 323 | T | 35.7 | Very low | 37.9 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 85% | 0.853 | 80% | 0.804 | S | S | * | * | | | trans | -150.5 | 130 | 135.9 | -20.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 324 | P | 41.2 | Very low | 37.3 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 84% | 0.838 | 80% | 0.803 | S | S | * | * | | | trans | -83.1 | 141.4 | 172.6 | -10.1 | 27.6 | 0 | 0 | 0 | 112.5 | | |
| 325 | G | 41.2 | Very low | 36.9 | Very low | 66 Ų | 66 | 131.2 Ų | 131.2 | 68% | 0.68 | 80% | 0.803 | S | S | * | * | | | trans | 99.3 | 70.7 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 326 | F | 37.1 | Very low | 36.6 | Very low | 213 Ų | 213 | 132.3 Ų | 132.3 | 93% | 0.934 | 80% | 0.799 | S | S | * | * | | | trans | -148.4 | 140.4 | 144.5 | -88.6 | -72.2 | 0 | 0 | 0 | 109.6 | | |
| 327 | P | 48 | Very low | 36.3 | Very low | 113 Ų | 113 | 134.6 Ų | 134.6 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 157 | -177.4 | 33.9 | -35.1 | 0 | 0 | 0 | 113.1 | | |
| 328 | P | 47.6 | Very low | 36.2 | Very low | 107 Ų | 107 | 135.7 Ų | 135.7 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 157.8 | 172.5 | 31.6 | -35.5 | 0 | 0 | 0 | 112.3 | | |
| 329 | P | 47 | Very low | 36.3 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 83% | 0.831 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -72 | 134.8 | -178.6 | 29.3 | -34.9 | 0 | 0 | 0 | 112.6 | | |
| 330 | N | 30.3 | Very low | 36.2 | Very low | 154 Ų | 154 | 132 Ų | 132 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 129.7 | 178.2 | -72.4 | -54.5 | 0 | 0 | 0 | 112.2 | V332 | N330-V332 PolarHBondContact O-N 3.22Š|
| 331 | C | 29.1 | Very low | 36.3 | Very low | 126 Ų | 126 | 128.9 Ų | 128.9 | 85% | 0.851 | 79% | 0.789 | S | S | * | * | | | trans | -84 | 105.8 | 159.5 | -67.8 | 0 | 0 | 0 | 0 | 109.1 | I333 | C331-I333 PolarHBondContact O-N 3.33Š|
| 332 | V | 32 | Very low | 36.2 | Very low | 135 Ų | 135 | 129 Ų | 129 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -78.3 | 117.6 | 176.3 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | N330 | N330-V332 PolarHBondContact O-N 3.22Š|
| 333 | I | 36.7 | Very low | 36 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 82% | 0.815 | 80% | 0.798 | S | S | * | * | | | trans | -124.1 | 114.2 | 165 | -62.9 | 175.4 | 0 | 0 | 0 | 106 | C331 | C331-I333 PolarHBondContact O-N 3.33Š|
| 334 | G | 29.4 | Very low | 35.8 | Very low | 67 Ų | 67 | 131 Ų | 131 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | | | trans | -87.1 | 139.2 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 335 | P | 36.5 | Very low | 35.3 | Very low | 133 Ų | 133 | 129.7 Ų | 129.7 | 86% | 0.864 | 80% | 0.797 | S | S | * | * | | | trans | -92.2 | 140.8 | 168.3 | 35 | -31.4 | 0 | 0 | 0 | 112.1 | | |
| 336 | Q | 31.7 | Very low | 34.9 | Very low | 164 Ų | 164 | 135.3 Ų | 135.3 | 77% | 0.766 | 81% | 0.805 | S | S | * | * | | | trans | -155 | 135.8 | 175.6 | -162.1 | -79.1 | -22.2 | 0 | 0 | 106.2 | | |
| 337 | E | 32.1 | Very low | 35.6 | Very low | 149 Ų | 149 | 130.6 Ų | 130.6 | 70% | 0.696 | 80% | 0.796 | S | S | * | * | | | cis | -162.2 | 139.3 | -17 | 176.2 | -170.7 | 143.2 | 0 | 0 | 107.7 | | |
| 338 | K | 30.6 | Very low | 35.9 | Very low | 209 Ų | 209 | 130.6 Ų | 130.6 | 91% | 0.909 | 80% | 0.796 | S | S | * | * | | | trans | -158.6 | 123 | 152.2 | -149.1 | 165.1 | -174.5 | 174.3 | 0 | 111.8 | | |
| 339 | A | 33.2 | Very low | 36.3 | Very low | 84 Ų | 84 | 130.3 Ų | 130.3 | 69% | 0.694 | 79% | 0.794 | S | S | * | * | | | trans | -96.8 | 152 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 340 | T | 30.3 | Very low | 35.5 | Very low | 142 Ų | 142 | 129.4 Ų | 129.4 | 87% | 0.871 | 79% | 0.79 | S | S | * | * | | | trans | -153.9 | 131.9 | 143.2 | -68 | 0 | 0 | 0 | 0 | 107.6 | | |
| 341 | A | 32.9 | Very low | 35.8 | Very low | 85 Ų | 85 | 128.2 Ų | 128.2 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | | | trans | -111 | 179.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | | |
| 342 | P | 43.8 | Very low | 36 | Very low | 113 Ų | 113 | 127 Ų | 127 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | | -154.8 | -171.3 | 52.2 | 44.5 | -22.5 | 0 | 0 | 0 | 118 | | |
| 343 | M | 30.2 | Very low | 36.1 | Very low | 196 Ų | 196 | 124.3 Ų | 124.3 | 97% | 0.966 | 79% | 0.788 | S | S | * | * | | | trans | 73.5 | 132.6 | 156.6 | -70.3 | -174.4 | 172.8 | 0 | 0 | 121.6 | | |
| 344 | G | 30.5 | Very low | 36 | Very low | 80 Ų | 80 | 123.5 Ų | 123.5 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | | | trans | 160.8 | 122.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 345 | A | 31.6 | Very low | 36.3 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 84% | 0.835 | 79% | 0.788 | S | S | * | * | | | trans | -87.4 | -178.2 | -163.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 346 | H | 31.6 | Very low | 36.2 | Very low | 184 Ų | 184 | 128.7 Ų | 128.7 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | | | trans | -88.5 | -146.7 | -157.7 | -55.1 | -96.6 | 0 | 0 | 0 | 116.8 | | |
| 347 | P | 53.1 | Low | 36.4 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 73% | 0.734 | 79% | 0.787 | S | S | * | * | | | | -126.4 | -138.6 | -119.5 | 43.2 | -19.8 | 0 | 0 | 0 | 111.7 | | |
| 348 | P | 54.6 | Low | 37.2 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | | | cis | -124.1 | -129.6 | -22.2 | 35.2 | -11.2 | 0 | 0 | 0 | 109.7 | | |
| 349 | P | 54.6 | Low | 37.2 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | | | cis | -132.2 | -172.6 | -31.6 | 38.8 | -20.1 | 0 | 0 | 0 | 115.7 | | |
| 350 | S | 31.5 | Very low | 37 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | | | trans | 71.1 | 145 | 151.3 | -69.7 | 0 | 0 | 0 | 0 | 120.5 | | |
| 351 | V | 35.8 | Very low | 37.4 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 78% | 0.782 | 78% | 0.784 | S | S | * | * | | | cis | -142.4 | 129.4 | -4.8 | -107.5 | 0 | 0 | 0 | 0 | 108 | | |
| 352 | A | 33.9 | Very low | 37.3 | Very low | 100 Ų | 100 | 127.7 Ų | 127.7 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | | | | 71.2 | 121.8 | 90.1 | 0 | 0 | 0 | 0 | 0 | 116.4 | | |
| 353 | G | 32.6 | Very low | 36.8 | Very low | 80 Ų | 80 | 129.6 Ų | 129.6 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | | | trans | -169.7 | 105.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 354 | L | 35.2 | Very low | 38 | Very low | 141 Ų | 141 | 125.4 Ų | 125.4 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | | | trans | -97.9 | 159 | -169.1 | -76.8 | 153 | 0 | 0 | 0 | 113.3 | | |
| 355 | N | 36.8 | Very low | 38.1 | Very low | 147 Ų | 147 | 130.5 Ų | 130.5 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | | | trans | 147.5 | 94 | 143.5 | -73.7 | -24.8 | 0 | 0 | 0 | 109.3 | | |
| 356 | H | 33.6 | Very low | 38.8 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | | | | 94.9 | 139.5 | 73 | -80.5 | -56.6 | 0 | 0 | 0 | 113.8 | | |
| 357 | L | 36.8 | Very low | 39 | Very low | 161 Ų | 161 | 131.3 Ų | 131.3 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | | | trans | -95.3 | 178.7 | -168.6 | -87.8 | 161.4 | 0 | 0 | 0 | 110.4 | | |
| 358 | P | 48.3 | Very low | 38.6 | Very low | 114 Ų | 114 | 133.2 Ų | 133.2 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | | | cis | -154.9 | 173.2 | 35.1 | 45.2 | -23.3 | 0 | 0 | 0 | 121.5 | | |
| 359 | S | 31 | Very low | 37.8 | Very low | 89 Ų | 89 | 136.1 Ų | 136.1 | 62% | 0.622 | 78% | 0.775 | S | S | * | * | | | trans | 43 | 128.4 | 138 | -163.1 | 0 | 0 | 0 | 0 | 121.8 | | |
| 360 | N | 29 | Very low | 37.2 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | | | | -168.5 | 168.5 | 104.6 | -90.8 | -24.9 | 0 | 0 | 0 | 113.9 | | |
| 361 | H | 37.5 | Very low | 37.4 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | | | trans | -111.5 | 136.1 | -161.6 | -151.5 | -60.9 | 0 | 0 | 0 | 111.5 | | |
| 362 | A | 31.1 | Very low | 37.8 | Very low | 97 Ų | 97 | 142.7 Ų | 142.7 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | -160.7 | 153.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 363 | D | 34 | Very low | 38.3 | Very low | 153 Ų | 153 | 143.5 Ų | 143.5 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | | | trans | -90.1 | 158.4 | -175.7 | -149.3 | -116.2 | 0 | 0 | 0 | 112.3 | | |
| 364 | P | 54 | Low | 39 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | | | trans | -103.1 | 115.8 | -168.3 | 35.4 | -28.1 | 0 | 0 | 0 | 114.5 | | |
| 365 | Q | 34.6 | Very low | 39.6 | Very low | 187 Ų | 187 | 146.7 Ų | 146.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | | | trans | -139.4 | 124.2 | 158 | -75.6 | -152.5 | 14.5 | 0 | 0 | 115.4 | | |
| 366 | H | 45.2 | Very low | 40 | Very low | 155 Ų | 155 | 145.6 Ų | 145.6 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | | | trans | 38.3 | 98.5 | 135.2 | -174 | -89 | 0 | 0 | 0 | 119.6 | | |
| 367 | L | 35.4 | Very low | 40.8 | Very low | 146 Ų | 146 | 142.9 Ų | 142.9 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | | | trans | -151.7 | 146.5 | 130.3 | -147.2 | 67.9 | 0 | 0 | 0 | 112.7 | | |
| 368 | Q | 45.7 | Very low | 41.4 | Very low | 153 Ų | 153 | 142.2 Ų | 142.2 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | | | trans | -69.6 | 150.3 | 174.1 | -59.5 | 174.3 | 44.2 | 0 | 0 | 111.5 | | |
| 369 | H | 37.8 | Very low | 41.5 | Very low | 174 Ų | 174 | 143.8 Ų | 143.8 | 81% | 0.806 | 77% | 0.766 | S | S | * | * | | | trans | -135.8 | 139.2 | 153.8 | -90.3 | 82.5 | 0 | 0 | 0 | 110.3 | | |
| 370 | H | 42.2 | Very low | 42.5 | Very low | 173 Ų | 173 | 147.1 Ų | 147.1 | 80% | 0.801 | 77% | 0.771 | S | S | * | * | | | trans | -66.1 | 136.5 | 177 | -84.8 | 12.7 | 0 | 0 | 0 | 111.8 | | |
| 371 | V | 34.3 | Very low | 43.7 | Very low | 131 Ų | 131 | 143.9 Ų | 143.9 | 79% | 0.794 | 76% | 0.758 | S | S | * | * | | | trans | -104.5 | 116.8 | 162 | -179.9 | 0 | 0 | 0 | 0 | 108.3 | P373 | V371-P373 WeakPolarHBondContact O-CD 3.49Š|
| 372 | H | 44.7 | Very low | 44.6 | Very low | 173 Ų | 173 | 137.9 Ų | 137.9 | 80% | 0.801 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 125.3 | 170.5 | -102.6 | 78 | 0 | 0 | 0 | 110 | Q374 | H372-Q374 PolarHBondContact O-N 3.49Š|
| 373 | P | 44.8 | Very low | 45.7 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 120 | 168.4 | -14.6 | 30.3 | 0 | 0 | 0 | 110 | V371 | V371-P373 WeakPolarHBondContact O-CD 3.49Š|
| 374 | Q | 46.6 | Very low | 46.8 | Very low | 176 Ų | 176 | 138.6 Ų | 138.6 | 82% | 0.822 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 136.1 | 170.2 | -135.2 | -147.2 | 59 | 0 | 0 | 109.4 | H372 N376 | H372-Q374 PolarHBondContact O-N 3.49Å; Q374-N376 PolarHBondContact O-N 3.25Å; Q374-N376 VanDerWaalsContact O-N 3.14Å |
| 375 | P | 48.1 | Very low | 46.9 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 72% | 0.721 | 72% | 0.721 | S | S | * | * | | | trans | -74.8 | 107.3 | -175.1 | 27.9 | -34.3 | 0 | 0 | 0 | 112.3 | | |
| 376 | N | 44.8 | Very low | 48 | Very low | 125 Ų | 125 | 137.8 Ų | 137.8 | 67% | 0.668 | 71% | 0.709 | S | S | * | * | | | trans | -59.3 | 123.3 | 172.1 | -99.6 | -11.5 | 0 | 0 | 0 | 111 | Q374 L378 Q379 | Q374-N376 PolarHBondContact O-N 3.25Å; Q374-N376 VanDerWaalsContact O-N 3.14Å; N376-L378 PolarHBondContact O-N 3.19Å; N376-Q379 PolarHBondContact O-N 3.38Å |
| 377 | P | 51.3 | Low | 48.5 | Very low | 106 Ų | 106 | 136.9 Ų | 136.9 | 69% | 0.688 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | -15.1 | -174.1 | 24.4 | -34 | 0 | 0 | 0 | 114.2 | Q379 H380 | P377-Q379 VanDerWaalsContact C-N 3.32Å; P377-Q379 PolarHBondContact O-N 3.13Å; P377-H380 PolarHBondContact O-N 2.85Å |
| 378 | L | 49.8 | Very low | 49.1 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -64.9 | -23.7 | -178.9 | -105.4 | 158.9 | 0 | 0 | 0 | 115 | N376 | N376-L378 PolarHBondContact O-N 3.19Å |
| 379 | Q | 50.7 | Low | 49.1 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 69% | 0.687 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -77.9 | -32.7 | 178.9 | -71.7 | -161 | 24.6 | 0 | 0 | 113.7 | N376 P377 T381 A382 Q383 | N376-Q379 PolarHBondContact O-N 3.38Å; P377-Q379 VanDerWaalsContact C-N 3.32Å; P377-Q379 PolarHBondContact O-N 3.13Å; Q379-T381 VanDerWaalsContact C-N 3.33Å; Q379-T381 PolarHBondContact O-N 3.1Å; Q379-A382 PolarHBondContact O-N 3.4Å; Q379-Q383 PolarHBondContact O-N 3.2Å |
| 380 | H | 51.7 | Low | 49.6 | Very low | 158 Ų | 158 | 139.6 Ų | 139.6 | 73% | 0.731 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -64.4 | -37 | -176.4 | -102.1 | -95.7 | 0 | 0 | 0 | 112.5 | P377 A382 Q384 | P377-H380 PolarHBondContact O-N 2.85Å; H380-A382 VanDerWaalsContact C-N 3.35Å; H380-A382 PolarHBondContact O-N 3.07Å; H380-Q384 PolarHBondContact O-N 3.16Å; H380-Q384 VanDerWaalsContact O-N 3.13Å |
| 381 | T | 54.6 | Low | 49.7 | Very low | 97 Ų | 97 | 135.8 Ų | 135.8 | 60% | 0.595 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -64.8 | -39.3 | 177.7 | -38.3 | 0 | 0 | 0 | 0 | 111.8 | Q379 Q385 | Q379-T381 VanDerWaalsContact C-N 3.33Å; Q379-T381 PolarHBondContact O-N 3.1Å; T381-Q385 PolarHBondContact O-N 3.4Å |
| 382 | A | 54.4 | Low | 50.1 | Low | 60 Ų | 60 | 140.9 Ų | 140.9 | 50% | 0.496 | 70% | 0.702 | S | S | . | * | H | α-helix | trans | -66.7 | -45.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q379 H380 Q385 Q386 | Q379-A382 PolarHBondContact O-N 3.4Å; H380-A382 VanDerWaalsContact C-N 3.35Å; H380-A382 PolarHBondContact O-N 3.07Å; A382-Q385 PolarHBondContact O-N 3.29Å; A382-Q386 PolarHBondContact O-N 3.46Å; A382-Q386 VanDerWaalsContact O-N 3.1Å |
| 383 | Q | 55.8 | Low | 49.8 | Very low | 123 Ų | 123 | 137.8 Ų | 137.8 | 58% | 0.575 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -64.4 | -40.3 | 176.4 | -80 | -155.3 | 4.4 | 0 | 0 | 112.7 | Q379 Q385 Q386 Q387 | Q379-Q383 PolarHBondContact O-N 3.2Å; Q383-Q385 VanDerWaalsContact C-N 3.31Å; Q383-Q385 PolarHBondContact O-N 3.36Å; Q383-Q386 PolarHBondContact O-N 2.98Å; Q383-Q386 VanDerWaalsContact O-N 3.16Å; Q383-Q387 PolarHBondContact O-N 3.05Å |
| 384 | Q | 57.4 | Low | 50.1 | Low | 142 Ų | 142 | 137.8 Ų | 137.8 | 66% | 0.664 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -63.1 | -38.6 | 179.2 | -169.9 | 179.9 | 81.6 | 0 | 0 | 111.8 | H380 K388 | H380-Q384 PolarHBondContact O-N 3.16Å; H380-Q384 VanDerWaalsContact O-N 3.13Å; Q384-K388 WeakPolarHBondContact O-CB 3.41Å; Q384-K388 PolarHBondContact O-N 3.28Å |
| 385 | Q | 55.8 | Low | 50 | Low | 145 Ų | 145 | 136.1 Ų | 136.1 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -67.2 | -37.1 | 175.2 | -162.9 | 172.3 | 22.3 | 0 | 0 | 111.9 | T381 A382 Q383 K388 M389 | T381-Q385 PolarHBondContact O-N 3.4Å; A382-Q385 PolarHBondContact O-N 3.29Å; Q383-Q385 VanDerWaalsContact C-N 3.31Å; Q383-Q385 PolarHBondContact O-N 3.36Å; Q385-K388 PolarHBondContact O-N 3.37Å; Q385-M389 WeakPolarHBondContact O-CG 3.42Å; Q385-M389 PolarHBondContact O-N 3.01Å |
| 386 | Q | 56.4 | Low | 49.8 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 63% | 0.626 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -72.5 | -36.7 | 177.5 | -152.2 | -178.3 | 48.1 | 0 | 0 | 112.8 | A382 Q383 M389 R390 | A382-Q386 PolarHBondContact O-N 3.46Å; A382-Q386 VanDerWaalsContact O-N 3.1Å; Q383-Q386 PolarHBondContact O-N 2.98Å; Q383-Q386 VanDerWaalsContact O-N 3.16Å; Q386-M389 PolarHBondContact O-N 2.78Å; Q386-R390 PolarHBondContact O-N 3.49Å |
| 387 | Q | 57.1 | Low | 49.9 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 64% | 0.636 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -62.8 | -42 | 171.2 | -77.5 | -174.3 | -18.6 | 0 | 0 | 111.7 | Q383 M389 R390 S391 | Q383-Q387 PolarHBondContact O-N 3.05Å; Q387-M389 PolarHBondContact O-N 3.29Å; Q387-R390 PolarHBondContact O-N 3.23Å; Q387-S391 PolarHBondContact O-N 2.79Å |
| 388 | K | 47.5 | Very low | 49.3 | Very low | 171 Ų | 171 | 142 Ų | 142 | 74% | 0.743 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -69.2 | -16.2 | 177.9 | -161.1 | 167 | -174.3 | 173.6 | 0 | 113.9 | Q384 Q385 S391 | Q384-K388 WeakPolarHBondContact O-CB 3.41Å; Q384-K388 PolarHBondContact O-N 3.28Å; Q385-K388 PolarHBondContact O-N 3.37Å; K388-S391 PolarHBondContact O-OG 3.43Å |
| 389 | M | 45.6 | Very low | 49.1 | Very low | 155 Ų | 155 | 143.3 Ų | 143.3 | 76% | 0.764 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -86.8 | -33.5 | 166.7 | -73.9 | -79.9 | -74.6 | 0 | 0 | 112.5 | Q385 Q386 Q387 | Q385-M389 WeakPolarHBondContact O-CG 3.42Å; Q385-M389 PolarHBondContact O-N 3.01Å; Q386-M389 PolarHBondContact O-N 2.78Å; Q387-M389 PolarHBondContact O-N 3.29Å |
| 390 | R | 48 | Very low | 48.4 | Very low | 203 Ų | 203 | 143 Ų | 143 | 77% | 0.766 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -80.3 | -14.4 | -179.3 | -159.1 | -169.4 | -82.2 | -119.5 | 6.6 | 113.6 | Q386 Q387 W392 | Q386-R390 PolarHBondContact O-N 3.49Å; Q387-R390 PolarHBondContact O-N 3.23Å; R390-W392 PolarHBondContact O-N 3.4Å |
| 391 | S | 45.4 | Very low | 47.8 | Very low | 93 Ų | 93 | 140.7 Ų | 140.7 | 65% | 0.65 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -3.4 | 178.5 | 59.5 | 0 | 0 | 0 | 0 | 115.1 | Q387 K388 N393 | Q387-S391 PolarHBondContact O-N 2.79Å; K388-S391 PolarHBondContact O-OG 3.43Å; S391-N393 PolarHBondContact O-N 2.97Å |
| 392 | W | 41.2 | Very low | 46.8 | Very low | 238 Ų | 238 | 143.6 Ų | 143.6 | 90% | 0.902 | 72% | 0.716 | S | S | * | * | | | trans | -101 | 56.2 | -179.4 | -146.5 | -46.7 | 0 | 0 | 0 | 112.3 | R390 | R390-W392 PolarHBondContact O-N 3.4Š|
| 393 | N | 39.4 | Very low | 45.7 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 58% | 0.583 | 73% | 0.728 | S | S | * | * | | | trans | -95 | 131.5 | 177.2 | -146.3 | 39 | 0 | 0 | 0 | 110.6 | S391 H395 | S391-N393 PolarHBondContact O-N 2.97Å; N393-H395 PolarHBondContact ND2-CE1 3.45Å; N393-H395 PolarHBondContact ND2-NE2 3.11Å; N393-H395 PolarHBondContact O-N 3.04Å |
| 394 | P | 50.4 | Low | 44.8 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | | | trans | -79.2 | 92.1 | -176.6 | 31.4 | -34.3 | 0 | 0 | 0 | 111.5 | | |
| 395 | H | 44.8 | Very low | 43.4 | Very low | 141 Ų | 141 | 149.8 Ų | 149.8 | 65% | 0.653 | 74% | 0.743 | S | S | * | * | | | trans | -110.8 | 162.1 | 165.2 | -62.6 | -43.3 | 0 | 0 | 0 | 110.2 | N393 | N393-H395 PolarHBondContact ND2-CE1 3.45Å; N393-H395 PolarHBondContact ND2-NE2 3.11Å; N393-H395 PolarHBondContact O-N 3.04Å |
| 396 | Q | 43.3 | Very low | 42.3 | Very low | 177 Ų | 177 | 147.6 Ų | 147.6 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | | | trans | 70.8 | 60 | -170.9 | -45.9 | -56.4 | 74.4 | 0 | 0 | 115.5 | | |
| 397 | L | 47.8 | Very low | 41 | Very low | 180 Ų | 180 | 148.7 Ų | 148.7 | 94% | 0.942 | 75% | 0.75 | S | S | * | * | | | trans | -127.1 | 69.5 | 151.7 | -156 | 85.8 | 0 | 0 | 0 | 110.6 | | |
| 398 | T | 38.6 | Very low | 40 | Very low | 107 Ų | 107 | 147.8 Ų | 147.8 | 66% | 0.656 | 75% | 0.754 | S | S | * | * | | | trans | -143.7 | 138.2 | 177.6 | -30.8 | 0 | 0 | 0 | 0 | 109.7 | | |
| 399 | H | 44.7 | Very low | 39.4 | Very low | 175 Ų | 175 | 148 Ų | 148 | 81% | 0.81 | 76% | 0.757 | S | S | * | * | | | trans | 65.6 | 84.9 | 178 | -52.6 | -68.8 | 0 | 0 | 0 | 117.8 | | |
| 400 | V | 36.1 | Very low | 38.8 | Very low | 141 Ų | 141 | 148 Ų | 148 | 86% | 0.855 | 76% | 0.759 | S | S | * | * | | | trans | -123.7 | 128.3 | 137.5 | 178.3 | 0 | 0 | 0 | 0 | 106.5 | | |
| 401 | P | 38.6 | Very low | 38 | Very low | 109 Ų | 109 | 143.5 Ų | 143.5 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | | | trans | -74.1 | 147.2 | -173.8 | 29.4 | -34.9 | 0 | 0 | 0 | 112.6 | I403 | P401-I403 PolarHBondContact O-N 2.8Š|
| 402 | H | 34.1 | Very low | 37.1 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 74% | 0.736 | 77% | 0.768 | S | S | * | * | | | trans | -72.3 | 116 | 171.5 | 174 | 78.7 | 0 | 0 | 0 | 110.2 | | |
| 403 | I | 32.4 | Very low | 36.8 | Very low | 145 Ų | 145 | 145.5 Ų | 145.5 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | | | trans | -117.2 | 106.8 | 162.6 | -61.9 | -176.8 | 0 | 0 | 0 | 108 | P401 | P401-I403 PolarHBondContact O-N 2.8Š|
| 404 | Q | 35.4 | Very low | 36.9 | Very low | 157 Ų | 157 | 146 Ų | 146 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | | | trans | -68.2 | 125.2 | 168.4 | 172.4 | 178.7 | -23.1 | 0 | 0 | 109.3 | | |
| 405 | N | 29.8 | Very low | 35.8 | Very low | 153 Ų | 153 | 145.7 Ų | 145.7 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -143.4 | 150.4 | 158.2 | -134.2 | -17.3 | 0 | 0 | 0 | 110.6 | | |
| 406 | S | 31.1 | Very low | 35.2 | Very low | 98 Ų | 98 | 150.9 Ų | 150.9 | 69% | 0.685 | 79% | 0.788 | S | S | * | * | | | trans | -110.6 | 179.3 | -156.8 | 57.7 | 0 | 0 | 0 | 0 | 114 | | |
| 407 | M | 29.9 | Very low | 34.4 | Very low | 158 Ų | 158 | 149.2 Ų | 149.2 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | | | trans | 90.4 | 86.9 | 147.1 | -155.5 | 163.9 | -169.3 | 0 | 0 | 119.6 | | |
| 408 | T | 35 | Very low | 34.7 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | | | trans | 62.9 | 174.2 | 143.5 | 71.6 | 0 | 0 | 0 | 0 | 116.6 | | |
| 409 | H | 34.8 | Very low | 34.1 | Very low | 176 Ų | 176 | 145.9 Ų | 145.9 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | | | cis | -147.9 | 177.6 | 9.4 | 20.8 | -83.8 | 0 | 0 | 0 | 112.8 | | |
| 410 | L | 33.1 | Very low | 33.7 | Very low | 154 Ų | 154 | 146.4 Ų | 146.4 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | | | trans | -63.8 | 154.9 | -163.3 | -153.6 | 71.5 | 0 | 0 | 0 | 117.5 | | |
| 411 | C | 31.3 | Very low | 33.4 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 74% | 0.743 | 77% | 0.773 | S | S | * | * | | | trans | -67.4 | 156.5 | 172.9 | -38.3 | 0 | 0 | 0 | 0 | 114.4 | | |
| 412 | K | 28.2 | Very low | 33 | Very low | 195 Ų | 195 | 150.1 Ų | 150.1 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | | | trans | -171.9 | 150.3 | 132.7 | -101.4 | 148.3 | -170.8 | 177.4 | 0 | 113.9 | | |
| 413 | Q | 34.4 | Very low | 33.1 | Very low | 177 Ų | 177 | 151.7 Ų | 151.7 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | | | trans | -85.4 | 159.1 | 166.1 | -76.8 | -93 | -11.6 | 0 | 0 | 110.6 | | |
| 414 | P | 40.3 | Very low | 33.1 | Very low | 120 Ų | 120 | 148 Ų | 148 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | | | trans | -134.2 | 169.9 | 137.7 | 38.5 | -28 | 0 | 0 | 0 | 113.3 | | |
| 415 | S | 27.8 | Very low | 33 | Very low | 111 Ų | 111 | 150.2 Ų | 150.2 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | | | trans | -142.1 | 158.5 | -177.8 | 69.4 | 0 | 0 | 0 | 0 | 112.9 | | |
| 416 | R | 31.7 | Very low | 33 | Very low | 250 Ų | 250 | 146.4 Ų | 146.4 | 94% | 0.943 | 79% | 0.787 | S | S | * | * | | | trans | 93.1 | 145.9 | 157.8 | -137.2 | 171.6 | -166.6 | 162 | 3.1 | 118 | | |
| 417 | D | 27.5 | Very low | 33 | Very low | 143 Ų | 143 | 152.6 Ų | 152.6 | 77% | 0.765 | 80% | 0.797 | S | S | * | * | | | trans | -82.6 | -173.7 | -171.6 | -156.9 | 29.9 | 0 | 0 | 0 | 112.4 | | |
| 418 | P | 55 | Low | 34.1 | Very low | 97 Ų | 97 | 150.9 Ų | 150.9 | 63% | 0.63 | 80% | 0.797 | S | S | * | * | | | cis | -128.8 | 173.3 | -24.3 | 13.8 | 11.2 | 0 | 0 | 0 | 114.9 | | |
| 419 | S | 25.4 | Very low | 34.2 | Very low | 119 Ų | 119 | 148.5 Ų | 148.5 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -174.2 | 160.3 | 147.3 | -90 | 0 | 0 | 0 | 0 | 117.8 | | |
| 420 | F | 35.1 | Very low | 34.3 | Very low | 186 Ų | 186 | 150 Ų | 150 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | | | trans | -59.7 | 173.1 | -178.2 | -62 | -63.3 | 0 | 0 | 0 | 117.1 | | |
| 421 | Q | 30.5 | Very low | 34.7 | Very low | 158 Ų | 158 | 151 Ų | 151 | 74% | 0.738 | 81% | 0.806 | S | S | * | * | | | cis | -171.5 | -178.9 | 1.4 | -120.3 | -179.3 | 78.8 | 0 | 0 | 108.6 | | |
| 422 | F | 31.1 | Very low | 34.6 | Very low | 170 Ų | 170 | 154.1 Ų | 154.1 | 75% | 0.746 | 81% | 0.814 | S | S | * | * | | | cis | -166.9 | -175.3 | -11.7 | -170.7 | -130.2 | 0 | 0 | 0 | 110.3 | | |
| 423 | K | 34.4 | Very low | 34.8 | Very low | 193 Ų | 193 | 148.8 Ų | 148.8 | 84% | 0.839 | 81% | 0.814 | S | S | * | * | | | trans | 78.9 | 146 | 170.7 | -53 | -179.4 | -179.4 | -179.7 | 0 | 116.7 | | |
| 424 | G | 32.5 | Very low | 34.6 | Very low | 66 Ų | 66 | 143.8 Ų | 143.8 | 68% | 0.68 | 81% | 0.811 | S | S | * | * | | | cis | 164.8 | 163 | -7.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 425 | M | 34.3 | Very low | 34.3 | Very low | 205 Ų | 205 | 146.6 Ų | 146.6 | 100% | 1.01 | 81% | 0.813 | S | S | * | * | | | trans | 76.8 | 143 | -174.8 | -51.1 | -88.2 | -81.1 | 0 | 0 | 115.1 | | |
| 426 | G | 29.1 | Very low | 35.5 | Very low | 73 Ų | 73 | 145.6 Ų | 145.6 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | | | cis | -176.4 | 155.4 | -7.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 427 | Y | 32.5 | Very low | 35.6 | Very low | 228 Ų | 228 | 144.9 Ų | 144.9 | 89% | 0.894 | 80% | 0.803 | S | S | * | * | | | trans | -109.2 | 157.5 | -179.4 | -87 | -83.6 | 0 | 0 | 0 | 112.3 | | |
| 428 | P | 52.4 | Low | 35.9 | Very low | 121 Ų | 121 | 142.9 Ų | 142.9 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | | | | -114.9 | 171.3 | 94.5 | -6.9 | 27.5 | 0 | 0 | 0 | 112.7 | | |
| 429 | G | 37.8 | Very low | 34.9 | Very low | 67 Ų | 67 | 146.2 Ų | 146.2 | 69% | 0.691 | 81% | 0.812 | S | S | * | * | | | cis | 94.8 | 123.2 | 34.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | | |
| 430 | E | 36.9 | Very low | 35.3 | Very low | 207 Ų | 207 | 149.9 Ų | 149.9 | 97% | 0.967 | 81% | 0.813 | S | S | * | * | | | cis | -139.1 | -161.7 | 37.9 | -63.8 | 179.3 | 153.4 | 0 | 0 | 114.1 | | |
| 431 | M | 40.5 | Very low | 35.9 | Very low | 175 Ų | 175 | 146.5 Ų | 146.5 | 86% | 0.862 | 81% | 0.81 | S | S | * | * | | | trans | -140.6 | 168.1 | -169.7 | -178.8 | 169.9 | 63.5 | 0 | 0 | 111.3 | | |
| 432 | L | 30.1 | Very low | 36.5 | Very low | 176 Ų | 176 | 144.7 Ų | 144.7 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | | | trans | 104.1 | 140.5 | -175.8 | -61.3 | 161.8 | 0 | 0 | 0 | 112.2 | | |
| 433 | G | 32.3 | Very low | 36.7 | Very low | 82 Ų | 82 | 145 Ų | 145 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | | | cis | 165.8 | 116.8 | -9.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 434 | G | 28.6 | Very low | 36.7 | Very low | 73 Ų | 73 | 142.9 Ų | 142.9 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | | | trans | 179.7 | 108.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | | |
| 435 | Q | 35 | Very low | 37.1 | Very low | 178 Ų | 178 | 150.2 Ų | 150.2 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | | | trans | -152.9 | 165 | 165 | -80.9 | -67 | -34.8 | 0 | 0 | 106.2 | | |
| 436 | P | 52.9 | Low | 37.6 | Very low | 90 Ų | 90 | 146.4 Ų | 146.4 | 58% | 0.584 | 82% | 0.816 | S | S | * | * | | | cis | -127.4 | -171.9 | 4.7 | 42.8 | -28.3 | 0 | 0 | 0 | 113.7 | | |
| 437 | Y | 34 | Very low | 37.9 | Very low | 235 Ų | 235 | 148.6 Ų | 148.6 | 92% | 0.922 | 82% | 0.815 | S | S | * | * | | | | -160 | 165.1 | 123.5 | -92.9 | -59.2 | 0 | 0 | 0 | 110.8 | | |
| 438 | S | 33.5 | Very low | 38.4 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 71% | 0.713 | 81% | 0.811 | S | S | * | * | | | trans | -108.7 | 155.2 | -165.7 | -158.9 | 0 | 0 | 0 | 0 | 111 | | |
| 439 | L | 34.1 | Very low | 37.6 | Very low | 167 Ų | 167 | 143 Ų | 143 | 87% | 0.874 | 81% | 0.809 | S | S | * | * | | | | -166.9 | -177.9 | 69.5 | -84.1 | 164.7 | 0 | 0 | 0 | 112.9 | | |
| 440 | K | 34 | Very low | 37.8 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 85% | 0.848 | 81% | 0.812 | S | S | * | * | | | trans | -137.6 | 176.7 | -178.5 | -118.7 | -175.4 | 177.5 | 178.4 | 0 | 108.9 | | |
| 441 | P | 46.9 | Very low | 38.4 | Very low | 115 Ų | 115 | 141.7 Ų | 141.7 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | | | cis | -127.2 | -116.2 | -9.9 | 25.9 | 1.4 | 0 | 0 | 0 | 113.7 | | |
| 442 | P | 43.5 | Very low | 38.3 | Very low | 120 Ų | 120 | 139.7 Ų | 139.7 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | | | trans | -119.8 | 176.5 | -131.4 | 39.4 | -19.9 | 0 | 0 | 0 | 116.1 | | |
| 443 | L | 34.7 | Very low | 38.5 | Very low | 178 Ų | 178 | 138.7 Ų | 138.7 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | | | trans | -133.1 | 144.9 | 165.7 | -168.9 | 63.6 | 0 | 0 | 0 | 111.3 | | |
| 444 | D | 34.1 | Very low | 38.6 | Very low | 147 Ų | 147 | 139.2 Ų | 139.2 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | | | trans | -94.8 | 172.9 | -169 | -142.9 | -40.1 | 0 | 0 | 0 | 113.9 | | |
| 445 | R | 41.2 | Very low | 38.9 | Very low | 221 Ų | 221 | 143.4 Ų | 143.4 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -81.5 | 155.6 | 171.4 | -71.4 | 176.8 | 167.2 | 179.1 | -3.3 | 111.8 | | |
| 446 | P | 46.1 | Very low | 39.2 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | | | trans | -108.5 | 134 | 142.4 | -9.8 | 29.1 | 0 | 0 | 0 | 112.6 | | |
| 447 | T | 35.8 | Very low | 38.9 | Very low | 118 Ų | 118 | 144.8 Ų | 144.8 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 137.2 | 166.8 | -57.1 | 0 | 0 | 0 | 0 | 109.6 | S449 | T447-S449 PolarHBondContact O-N 2.96Š|
| 448 | P | 41.2 | Very low | 39 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -76 | 121.3 | 177.1 | 29.8 | -33.6 | 0 | 0 | 0 | 111.9 | | |
| 449 | S | 36.5 | Very low | 39.7 | Very low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -97.6 | 154.2 | 170.8 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | T447 | T447-S449 PolarHBondContact O-N 2.96Š|
| 450 | P | 41.1 | Very low | 39.8 | Very low | 117 Ų | 117 | 139.2 Ų | 139.2 | 76% | 0.76 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 152.9 | -179.7 | 30.8 | -35.8 | 0 | 0 | 0 | 112.4 | V452 | P450-V452 PolarHBondContact O-N 2.82Š|
| 451 | P | 49.6 | Very low | 39.8 | Very low | 130 Ų | 130 | 133.7 Ų | 133.7 | 84% | 0.844 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 125.5 | -179 | 29.8 | -34.1 | 0 | 0 | 0 | 112.1 | | |
| 452 | V | 39.5 | Very low | 39.2 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 80% | 0.8 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 135.8 | 153.4 | 175.6 | 0 | 0 | 0 | 0 | 107.2 | P450 | P450-V452 PolarHBondContact O-N 2.82Š|
| 453 | N | 34.3 | Very low | 38.6 | Very low | 156 Ų | 156 | 142.1 Ų | 142.1 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | | | trans | -128.7 | 137.1 | 163.2 | -168.9 | 17.6 | 0 | 0 | 0 | 109.1 | | |
| 454 | S | 33.5 | Very low | 39.3 | Very low | 93 Ų | 93 | 139.3 Ų | 139.3 | 65% | 0.65 | 80% | 0.799 | S | S | * | * | | | trans | -105.5 | 145.2 | -167.8 | -58.1 | 0 | 0 | 0 | 0 | 111.5 | M456 | S454-M456 PolarHBondContact O-N 3.03Š|
| 455 | N | 35.2 | Very low | 39.4 | Very low | 160 Ų | 160 | 139.7 Ų | 139.7 | 86% | 0.856 | 80% | 0.801 | S | S | * | * | | | trans | -64.5 | 127 | 175.8 | -58.4 | 34.5 | 0 | 0 | 0 | 111.4 | | |
| 456 | M | 41.5 | Very low | 39 | Very low | 177 Ų | 177 | 133 Ų | 133 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | | | trans | -146.5 | 142.4 | 148.2 | -85.8 | -55.9 | -76.5 | 0 | 0 | 109.8 | S454 | S454-M456 PolarHBondContact O-N 3.03Š|
| 457 | P | 47.4 | Very low | 38.8 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | | | trans | -92.8 | 149.8 | -179.5 | 35.8 | -34 | 0 | 0 | 0 | 113.2 | | |
| 458 | G | 34.4 | Very low | 38.7 | Very low | 72 Ų | 72 | 139.3 Ų | 139.3 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | trans | -160.9 | 141.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | | |
| 459 | P | 48.7 | Very low | 38.7 | Very low | 123 Ų | 123 | 141.9 Ų | 141.9 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | | | trans | -98.9 | 164.7 | -169.3 | 38 | -36.4 | 0 | 0 | 0 | 115.3 | | |
| 460 | M | 37.1 | Very low | 38.7 | Very low | 192 Ų | 192 | 144.4 Ų | 144.4 | 95% | 0.946 | 79% | 0.789 | S | S | * | * | | | trans | 67.5 | 154.4 | 173.8 | -72.6 | -167.8 | 166.6 | 0 | 0 | 116.6 | | |
| 461 | A | 33.4 | Very low | 38.3 | Very low | 79 Ų | 79 | 144 Ų | 144 | 65% | 0.653 | 79% | 0.789 | S | S | * | * | | | cis | -128.1 | 151.4 | 5.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 462 | H | 33.6 | Very low | 37.7 | Very low | 190 Ų | 190 | 145.7 Ų | 145.7 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 131.6 | 170.3 | -65.2 | -84 | 0 | 0 | 0 | 110.7 | | |
| 463 | Y | 32.5 | Very low | 37.9 | Very low | 223 Ų | 223 | 147.2 Ų | 147.2 | 88% | 0.875 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 119.8 | 161.4 | -89.4 | -85.7 | 0 | 0 | 0 | 109.5 | | |
| 464 | P | 49.4 | Very low | 37.8 | Very low | 118 Ų | 118 | 149.3 Ų | 149.3 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -88.3 | 120.9 | 176 | 32.9 | -30.7 | 0 | 0 | 0 | 111.1 | | |
| 465 | N | 35.8 | Very low | 37.6 | Very low | 156 Ų | 156 | 149.2 Ų | 149.2 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | | | trans | -145.4 | 147.5 | 142.8 | -150 | -20 | 0 | 0 | 0 | 109.4 | | |
| 466 | S | 31.6 | Very low | 37.7 | Very low | 79 Ų | 79 | 147.2 Ų | 147.2 | 55% | 0.552 | 78% | 0.781 | S | S | * | * | | | trans | -119.5 | -179.8 | -158.6 | -69.2 | 0 | 0 | 0 | 0 | 112.3 | | |
| 467 | H | 42.4 | Very low | 37.2 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | 71.8 | 105.7 | 173.5 | -34.6 | -72 | 0 | 0 | 0 | 112.3 | | |
| 468 | Y | 34.1 | Very low | 36.8 | Very low | 210 Ų | 210 | 144.4 Ų | 144.4 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | S | Bend | | -142.8 | 152.8 | 55.7 | -94.2 | -91.2 | 0 | 0 | 0 | 114.8 | | |
| 469 | F | 41.3 | Very low | 36.9 | Very low | 179 Ų | 179 | 147.9 Ų | 147.9 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | | | trans | 53.1 | 106.4 | 166.5 | -76.1 | -71.7 | 0 | 0 | 0 | 120.2 | | |
| 470 | Q | 35.4 | Very low | 36.5 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 74% | 0.743 | 77% | 0.768 | S | S | * | * | | | trans | -47.6 | 149.4 | 141.3 | -75.7 | -89.4 | -11.5 | 0 | 0 | 111.2 | | |
| 471 | S | 33.8 | Very low | 36.4 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | | | trans | -147.1 | 134.1 | 162.8 | -77.5 | 0 | 0 | 0 | 0 | 108.7 | | |
| 472 | H | 37.8 | Very low | 36.7 | Very low | 167 Ų | 167 | 146.8 Ų | 146.8 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | | | trans | -85 | 162.4 | -154.8 | -69.1 | -95 | 0 | 0 | 0 | 114.8 | W474 | H472-W474 PolarHBondContact O-N 3.1Š|
| 473 | I | 42.3 | Very low | 36.8 | Very low | 164 Ų | 164 | 143.9 Ų | 143.9 | 84% | 0.841 | 76% | 0.759 | S | S | * | * | | | trans | -59.3 | 119.6 | 171.1 | -60.1 | 156.1 | 0 | 0 | 0 | 109.6 | | |
| 474 | W | 32.8 | Very low | 37 | Very low | 200 Ų | 200 | 138.9 Ų | 138.9 | 76% | 0.758 | 76% | 0.756 | S | S | * | * | | | trans | -138.4 | 124.8 | 146.6 | 78.7 | -45 | 0 | 0 | 0 | 107 | H472 | H472-W474 PolarHBondContact O-N 3.1Š|
| 475 | S | 29.2 | Very low | 36.8 | Very low | 90 Ų | 90 | 141.2 Ų | 141.2 | 63% | 0.629 | 76% | 0.762 | S | S | * | * | | | cis | 67.6 | 77 | 32.2 | 92.2 | 0 | 0 | 0 | 0 | 113.4 | S477 | S475-S477 PolarHBondContact O-N 3.39Š|
| 476 | S | 37.8 | Very low | 36.8 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | | | trans | 15.6 | 94.6 | 151.8 | -53 | 0 | 0 | 0 | 0 | 117.3 | | |
| 477 | S | 30.6 | Very low | 37 | Very low | 84 Ų | 84 | 141.9 Ų | 141.9 | 59% | 0.587 | 78% | 0.779 | S | S | * | * | | | trans | -109.5 | 88 | 160.3 | -168.9 | 0 | 0 | 0 | 0 | 109.6 | S475 | S475-S477 PolarHBondContact O-N 3.39Š|
| 478 | I | 38.8 | Very low | 36.6 | Very low | 153 Ų | 153 | 137.8 Ų | 137.8 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -80 | 120.8 | 168 | -60.1 | 173.4 | 0 | 0 | 0 | 106.5 | | |
| 479 | L | 36.4 | Very low | 36.8 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 128.8 | 175.6 | -72.2 | 172.3 | 0 | 0 | 0 | 110.3 | | |
| 480 | P | 40.9 | Very low | 36.7 | Very low | 119 Ų | 119 | 133.3 Ų | 133.3 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 133 | 176.3 | -20.1 | 32.7 | 0 | 0 | 0 | 112.4 | | |
| 481 | T | 35.5 | Very low | 36.7 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 75% | 0.748 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -85 | 120.7 | 166.5 | 46 | 0 | 0 | 0 | 0 | 110 | N483 | T481-N483 PolarHBondContact O-N 3.37Å; T481-N483 VanDerWaalsContact O-N 3.14Å |
| 482 | P | 39.1 | Very low | 36.8 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 84% | 0.844 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -89.4 | 77.1 | -168.2 | 35.1 | -36.4 | 0 | 0 | 0 | 113.4 | | |
| 483 | N | 36 | Very low | 36.6 | Very low | 129 Ų | 129 | 129.4 Ų | 129.4 | 69% | 0.69 | 78% | 0.782 | S | S | * | * | | | trans | -172.4 | 91.5 | 164.5 | 51.1 | -23.5 | 0 | 0 | 0 | 113.5 | T481 | T481-N483 PolarHBondContact O-N 3.37Å; T481-N483 VanDerWaalsContact O-N 3.14Å |
| 484 | S | 35.9 | Very low | 36.4 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | | | trans | -164.7 | 97 | 161.3 | -80.4 | 0 | 0 | 0 | 0 | 110.5 | S486 | S484-S486 PolarHBondContact O-N 3.1Š|
| 485 | D | 44.8 | Very low | 36.8 | Very low | 167 Ų | 167 | 124.4 Ų | 124.4 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | | | trans | -78.6 | 106.9 | 175.4 | -50.7 | -72.8 | 0 | 0 | 0 | 110.1 | | |
| 486 | S | 37.2 | Very low | 36.8 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | | | trans | -156.9 | 125 | 170.8 | -78.2 | 0 | 0 | 0 | 0 | 111.3 | S484 | S484-S486 PolarHBondContact O-N 3.1Š|
| 487 | S | 34.7 | Very low | 36.8 | Very low | 129 Ų | 129 | 131.7 Ų | 131.7 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | | | trans | -87.5 | 142.2 | -172.5 | -57.6 | 0 | 0 | 0 | 0 | 113.9 | | |
| 488 | G | 33.9 | Very low | 36.7 | Very low | 80 Ų | 80 | 135.3 Ų | 135.3 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | 73.6 | 107.8 | 138.9 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 489 | S | 38.7 | Very low | 36.5 | Very low | 104 Ų | 104 | 133.1 Ų | 133.1 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | | -160.4 | 156.7 | 94.5 | -161.2 | 0 | 0 | 0 | 0 | 110 | D491 | S489-D491 PolarHBondContact OG-OD2 2.95Š|
| 490 | Q | 38.8 | Very low | 36.1 | Very low | 192 Ų | 192 | 129.6 Ų | 129.6 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | | | trans | -119.7 | 112 | 169.3 | -74 | -172.2 | 2.7 | 0 | 0 | 109 | | |
| 491 | D | 36.6 | Very low | 36.2 | Very low | 134 Ų | 134 | 130.6 Ų | 130.6 | 72% | 0.717 | 81% | 0.806 | S | S | * | * | | | trans | -135.9 | 106.2 | 177 | -76.2 | -76.9 | 0 | 0 | 0 | 112 | S489 | S489-D491 PolarHBondContact OG-OD2 2.95Š|
| 492 | V | 35.8 | Very low | 36 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | | | trans | 48.9 | 107.2 | 151.2 | -164.4 | 0 | 0 | 0 | 0 | 118.9 | M494 | V492-M494 HydrophobicContact CG1-SD 4.49Š|
| 493 | A | 33.5 | Very low | 35.6 | Very low | 98 Ų | 98 | 126.4 Ų | 126.4 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 130.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 494 | M | 38.4 | Very low | 35.3 | Very low | 142 Ų | 142 | 126.2 Ų | 126.2 | 70% | 0.7 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 124.5 | 178.4 | -75.6 | -68.6 | -68.5 | 0 | 0 | 112.1 | V492 | V492-M494 HydrophobicContact CG1-SD 4.49Š|
| 495 | P | 39.7 | Very low | 35.3 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 75% | 0.753 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 135.2 | 172.2 | -10.8 | 28 | 0 | 0 | 0 | 112.3 | | |
| 496 | F | 29.2 | Very low | 34.7 | Very low | 169 Ų | 169 | 124.1 Ų | 124.1 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | | | trans | -129.1 | 100.5 | 170.5 | -87.1 | -80.5 | 0 | 0 | 0 | 111.1 | | |
| 497 | H | 38.6 | Very low | 34.7 | Very low | 193 Ų | 193 | 126.5 Ų | 126.5 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | | | trans | -144.2 | 127.6 | 162.5 | -77.7 | -64.3 | 0 | 0 | 0 | 110.3 | | |
| 498 | N | 28.9 | Very low | 34.6 | Very low | 161 Ų | 161 | 127.2 Ų | 127.2 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | | | trans | -87.5 | 134.8 | 177.6 | -83.2 | 19 | 0 | 0 | 0 | 112 | | |
| 499 | A | 32.9 | Very low | 34.5 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 88% | 0.876 | 80% | 0.804 | S | S | * | * | | | trans | 48.6 | 105.3 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 500 | G | 29.2 | Very low | 34.1 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | | | trans | -141 | 135.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 501 | P | 41.8 | Very low | 35 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | | | trans | -94.7 | 143.5 | -165.3 | 34.9 | -35 | 0 | 0 | 0 | 114.7 | | |
| 502 | G | 31.8 | Very low | 35.5 | Very low | 83 Ų | 83 | 124.3 Ų | 124.3 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | | | trans | 149.8 | 128.4 | 156.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | | |
| 503 | G | 31.1 | Very low | 35.2 | Very low | 81 Ų | 81 | 122.6 Ų | 122.6 | 84% | 0.835 | 81% | 0.81 | S | S | * | * | | | trans | 114.7 | 125 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.6 | | |
| 504 | C | 29.1 | Very low | 35.3 | Very low | 126 Ų | 126 | 122.5 Ų | 122.5 | 85% | 0.851 | 81% | 0.81 | S | S | * | * | | | trans | -55.2 | 166.4 | 161.9 | -52.1 | 0 | 0 | 0 | 0 | 112.8 | | |
| 505 | T | 36.5 | Very low | 35.7 | Very low | 126 Ų | 126 | 120.9 Ų | 120.9 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | cis | -142.6 | 172.7 | 23 | 53.1 | 0 | 0 | 0 | 0 | 114.3 | | |
| 506 | T | 32.8 | Very low | 35.3 | Very low | 115 Ų | 115 | 123.5 Ų | 123.5 | 71% | 0.706 | 81% | 0.811 | S | S | * | * | | | trans | -33.3 | 154.1 | 150.5 | 47.6 | 0 | 0 | 0 | 0 | 114.4 | | |
| 507 | L | 36.5 | Very low | 35.4 | Very low | 169 Ų | 169 | 125.5 Ų | 125.5 | 89% | 0.885 | 82% | 0.816 | S | S | * | * | | | | -148.8 | 158.7 | 62.7 | -78.4 | 161.8 | 0 | 0 | 0 | 115.5 | | |
| 508 | D | 32.6 | Very low | 35 | Very low | 144 Ų | 144 | 126.4 Ų | 126.4 | 77% | 0.77 | 81% | 0.811 | S | S | * | * | | | trans | -107.5 | 156.1 | 173.5 | 167.6 | 49.8 | 0 | 0 | 0 | 110.9 | | |
| 509 | C | 31.1 | Very low | 35 | Very low | 128 Ų | 128 | 125.3 Ų | 125.3 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | | | trans | -169.8 | 122.8 | 155.2 | -118.1 | 0 | 0 | 0 | 0 | 110.9 | | |
| 510 | G | 31.6 | Very low | 34.7 | Very low | 63 Ų | 63 | 123.8 Ų | 123.8 | 65% | 0.649 | 79% | 0.792 | S | S | * | * | | | trans | -95.1 | -171.4 | -168.4 | 0 | 0 | 0 | 0 | 0 | 118.2 | | |
| 511 | P | 57.2 | Low | 34.7 | Very low | 125 Ų | 125 | 126.4 Ų | 126.4 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | | | trans | -92.6 | 172.4 | -174.2 | 38.6 | -37.5 | 0 | 0 | 0 | 114 | | |
| 512 | P | 46.8 | Very low | 34 | Very low | 134 Ų | 134 | 124.5 Ų | 124.5 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | | | | -148 | 163.4 | 125.5 | 38.5 | -24.3 | 0 | 0 | 0 | 115.7 | | |
| 513 | G | 30.7 | Very low | 34 | Very low | 83 Ų | 83 | 125.1 Ų | 125.1 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | | | trans | 142.1 | 109.9 | 154.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | | |
| 514 | A | 34.5 | Very low | 33.8 | Very low | 97 Ų | 97 | 127 Ų | 127 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | | | trans | -143.7 | 148.9 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 515 | P | 47.6 | Very low | 33.8 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | | | | -149 | 157.3 | 121.6 | 28.5 | -8 | 0 | 0 | 0 | 116.9 | | |
| 516 | H | 30.5 | Very low | 33.6 | Very low | 170 Ų | 170 | 126 Ų | 126 | 79% | 0.787 | 77% | 0.765 | S | S | * | * | | | trans | 24.6 | 144.1 | 150.6 | -43.3 | -50.9 | 0 | 0 | 0 | 121.5 | | |
| 517 | Y | 31.6 | Very low | 33.5 | Very low | 211 Ų | 211 | 126 Ų | 126 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | | | cis | -142.5 | 148.9 | 38.8 | -85.4 | -109.1 | 0 | 0 | 0 | 111.2 | | |
| 518 | R | 29.6 | Very low | 33.2 | Very low | 213 Ų | 213 | 124.2 Ų | 124.2 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | | | | 48.6 | 139.1 | 87.5 | -84.4 | -162.1 | -178.5 | -134.5 | 2.7 | 116.3 | | |
| 519 | L | 29 | Very low | 33.3 | Very low | 137 Ų | 137 | 121 Ų | 121 | 72% | 0.717 | 77% | 0.773 | S | S | * | * | | | cis | -165 | 139.2 | -8 | -172.5 | 70 | 0 | 0 | 0 | 112.5 | | |
| 520 | A | 26.7 | Very low | 33.4 | Very low | 75 Ų | 75 | 123.7 Ų | 123.7 | 62% | 0.62 | 77% | 0.772 | S | S | * | * | | | trans | 16.1 | 159.4 | 153.6 | 0 | 0 | 0 | 0 | 0 | 127.1 | | |
| 521 | T | 28.6 | Very low | 33.4 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | | | trans | 79.9 | 121.2 | 140.4 | 36.6 | 0 | 0 | 0 | 0 | 124.2 | | |
| 522 | S | 29 | Very low | 32.3 | Very low | 100 Ų | 100 | 126.4 Ų | 126.4 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | | 81.2 | 120.7 | 125.8 | -57.9 | 0 | 0 | 0 | 0 | 123.8 | | |
| 523 | S | 29.8 | Very low | 31.6 | Very low | 97 Ų | 97 | 127.5 Ų | 127.5 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | | | trans | 60.6 | 118.4 | 131.5 | 66.2 | 0 | 0 | 0 | 0 | 123 | | |
| 524 | T | 28.1 | Very low | 31.8 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | | | trans | 55.3 | 125.8 | 134.9 | 59.3 | 0 | 0 | 0 | 0 | 121.1 | | |
| 525 | T | 29.9 | Very low | 31.9 | Very low | 132 Ų | 132 | 132.5 Ų | 132.5 | 81% | 0.81 | 76% | 0.759 | S | S | * | * | | | | -176.8 | 165.7 | 100.6 | 27.4 | 0 | 0 | 0 | 0 | 113.5 | | |
| 526 | S | 30.4 | Very low | 31.2 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 69% | 0.685 | 76% | 0.761 | S | S | * | * | | | trans | -1.4 | 133.2 | 164.3 | 51.6 | 0 | 0 | 0 | 0 | 120.5 | | |
| 527 | S | 30.8 | Very low | 31.5 | Very low | 115 Ų | 115 | 128.7 Ų | 128.7 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | | | cis | 84.9 | 116.2 | 36.4 | 82.1 | 0 | 0 | 0 | 0 | 117 | | |
| 528 | S | 31.9 | Very low | 31.5 | Very low | 131 Ų | 131 | 125.9 Ų | 125.9 | 92% | 0.916 | 75% | 0.754 | S | S | * | * | | | trans | -158 | 136.2 | 144.9 | 62.4 | 0 | 0 | 0 | 0 | 110.5 | | |
| 529 | G | 32.8 | Very low | 31.6 | Very low | 78 Ų | 78 | 126.3 Ų | 126.3 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | 140.7 | 74.8 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 530 | Q | 34.4 | Very low | 32.3 | Very low | 183 Ų | 183 | 127 Ų | 127 | 86% | 0.855 | 76% | 0.76 | S | S | * | * | | | trans | -85.3 | 167.5 | -179.7 | -62.5 | -169 | -3.1 | 0 | 0 | 111.1 | | |
| 531 | T | 32.2 | Very low | 32.7 | Very low | 108 Ų | 108 | 127.5 Ų | 127.5 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | | | | -164.9 | 164.8 | 52 | 47.4 | 0 | 0 | 0 | 0 | 114 | | |
| 532 | N | 32.3 | Very low | 33 | Very low | 137 Ų | 137 | 124.8 Ų | 124.8 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | | | trans | 70.7 | 124.9 | 171 | -52.3 | -63.9 | 0 | 0 | 0 | 115.3 | | |
| 533 | L | 34.1 | Very low | 33.5 | Very low | 157 Ų | 157 | 127.3 Ų | 127.3 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | | | cis | 65 | 136.6 | 27.5 | -62.2 | 84.8 | 0 | 0 | 0 | 113.6 | | |
| 534 | T | 34.5 | Very low | 33.8 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 72% | 0.724 | 79% | 0.786 | S | S | * | * | | | cis | -127 | 155 | 13.3 | 47.1 | 0 | 0 | 0 | 0 | 111.8 | | |
| 535 | Q | 35.9 | Very low | 34.1 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 78% | 0.78 | 79% | 0.787 | S | S | * | * | | | | 45.7 | 142.6 | 80.3 | -53.1 | -173.8 | -6.8 | 0 | 0 | 114.8 | | |
| 536 | T | 33.1 | Very low | 34.6 | Very low | 121 Ų | 121 | 135 Ų | 135 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | | | cis | -162.3 | 165.4 | 22.6 | -24.1 | 0 | 0 | 0 | 0 | 112 | | |
| 537 | A | 35.8 | Very low | 35.2 | Very low | 78 Ų | 78 | 135.2 Ų | 135.2 | 65% | 0.645 | 79% | 0.789 | S | S | * | * | | | trans | 52.7 | 159.2 | 143.5 | 0 | 0 | 0 | 0 | 0 | 121.7 | | |
| 538 | D | 33.1 | Very low | 35.2 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | | | cis | -166.9 | 134.3 | -22.7 | -93.1 | -28.2 | 0 | 0 | 0 | 107.4 | | |
| 539 | Y | 32.1 | Very low | 35.5 | Very low | 222 Ų | 222 | 142.3 Ų | 142.3 | 87% | 0.871 | 79% | 0.785 | S | S | * | * | | | trans | -166.9 | 161.1 | 142.3 | -138.9 | -104.8 | 0 | 0 | 0 | 114.4 | | |
| 540 | L | 43.3 | Very low | 35.7 | Very low | 152 Ų | 152 | 146.8 Ų | 146.8 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | | | trans | -82.8 | 125.8 | -175.6 | -62.5 | 163.8 | 0 | 0 | 0 | 112.6 | | |
| 541 | G | 34.3 | Very low | 36 | Very low | 85 Ų | 85 | 144.9 Ų | 144.9 | 88% | 0.876 | 77% | 0.774 | S | S | * | * | | | trans | -100.9 | 95.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 542 | G | 36.1 | Very low | 36.4 | Very low | 69 Ų | 69 | 146.8 Ų | 146.8 | 71% | 0.711 | 78% | 0.775 | S | S | * | * | | | trans | -81.8 | 159.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 115 | F544 | G542-F544 PolarHBondContact O-N 3.38Š|
| 543 | D | 38.4 | Very low | 36.4 | Very low | 153 Ų | 153 | 147.3 Ų | 147.3 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | | | trans | -51 | 124.2 | 173 | -89.1 | -76.5 | 0 | 0 | 0 | 113.4 | | |
| 544 | F | 35.9 | Very low | 36.8 | Very low | 206 Ų | 206 | 147.8 Ų | 147.8 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | | | trans | -138.8 | 109.9 | 149.1 | -87.8 | -73 | 0 | 0 | 0 | 110.8 | G542 | G542-F544 PolarHBondContact O-N 3.38Š|
| 545 | Q | 34.8 | Very low | 36.8 | Very low | 165 Ų | 165 | 145.5 Ų | 145.5 | 77% | 0.771 | 78% | 0.781 | S | S | * | * | | | trans | -61 | 149.6 | 173.5 | -68.6 | -160.6 | 30 | 0 | 0 | 112.1 | P547 | Q545-P547 WeakPolarHBondContact O-CD 3.32Š|
| 546 | T | 40.5 | Very low | 37.1 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | | | trans | -85.5 | 106.7 | 165.7 | -53.5 | 0 | 0 | 0 | 0 | 109.8 | Y548 | T546-Y548 PolarHBondContact O-N 3.36Š|
| 547 | P | 42.7 | Very low | 37.5 | Very low | 103 Ų | 103 | 148.4 Ų | 148.4 | 67% | 0.669 | 79% | 0.792 | S | S | * | * | | | trans | -89.2 | 117.9 | -172.5 | -5.2 | 26.1 | 0 | 0 | 0 | 111.9 | Q545 | Q545-P547 WeakPolarHBondContact O-CD 3.32Š|
| 548 | Y | 30.2 | Very low | 37.6 | Very low | 197 Ų | 197 | 148.6 Ų | 148.6 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | | | trans | 54.1 | 103.8 | 148.9 | -75.5 | -90.1 | 0 | 0 | 0 | 119.9 | T546 R550 | T546-Y548 PolarHBondContact O-N 3.36Å; Y548-R550 PolarHBondContact O-N 2.71Å |
| 549 | F | 39.5 | Very low | 38.1 | Very low | 198 Ų | 198 | 151.1 Ų | 151.1 | 87% | 0.868 | 81% | 0.806 | S | S | * | * | | | | -49.8 | 125.6 | 128.2 | -130.1 | -101.1 | 0 | 0 | 0 | 108.4 | | |
| 550 | R | 35.8 | Very low | 38.1 | Very low | 172 Ų | 172 | 148.6 Ų | 148.6 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | | | trans | -127.2 | 68.2 | -167.4 | -133.2 | -82.8 | -131 | -126.9 | 0.7 | 112.1 | Y548 Q552 | Y548-R550 PolarHBondContact O-N 2.71Å; R550-Q552 PolarHBondContact O-N 3.36Å |
| 551 | D | 42.4 | Very low | 37.5 | Very low | 144 Ų | 144 | 149.5 Ų | 149.5 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | | | trans | -52 | 135.1 | 156.2 | -82.5 | -75.1 | 0 | 0 | 0 | 110 | | |
| 552 | Q | 38.9 | Very low | 37.7 | Very low | 148 Ų | 148 | 156.1 Ų | 156.1 | 69% | 0.692 | 80% | 0.802 | S | S | * | * | | | trans | -144.3 | 121.2 | 161.4 | -81.7 | -167.2 | 121.8 | 0 | 0 | 109.9 | R550 | R550-Q552 PolarHBondContact O-N 3.36Š|
| 553 | N | 33.3 | Very low | 38.2 | Very low | 147 Ų | 147 | 157.6 Ų | 157.6 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | | | trans | -141.3 | 144 | 163.5 | -157.4 | -42.4 | 0 | 0 | 0 | 108.4 | | |
| 554 | L | 41.4 | Very low | 38.8 | Very low | 167 Ų | 167 | 155 Ų | 155 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | | | trans | 63.3 | 146.2 | -176.8 | -103.8 | 60 | 0 | 0 | 0 | 116.8 | | |
| 555 | G | 35.6 | Very low | 38.7 | Very low | 71 Ų | 71 | 152.9 Ų | 152.9 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | | | trans | -173.1 | -31.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | | |
| 556 | L | 41.4 | Very low | 38.6 | Very low | 161 Ų | 161 | 149.5 Ų | 149.5 | 84% | 0.843 | 78% | 0.783 | S | S | * | * | | | trans | 66 | 136.9 | 171 | -63.4 | 167.7 | 0 | 0 | 0 | 120.7 | | |
| 557 | M | 41.9 | Very low | 38.3 | Very low | 187 Ų | 187 | 153.9 Ų | 153.9 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | | | trans | 56.5 | 120.2 | 151.7 | -64 | -160.3 | -64.4 | 0 | 0 | 122.8 | | |
| 558 | G | 37.8 | Very low | 37.8 | Very low | 83 Ų | 83 | 155.7 Ų | 155.7 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | | | trans | -163.6 | 117.6 | 154 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 559 | K | 43.8 | Very low | 37.8 | Very low | 204 Ų | 204 | 149.5 Ų | 149.5 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | | | trans | -100.2 | 155.8 | -178.7 | -80.6 | -175.6 | 176.6 | 177.7 | 0 | 111.8 | | |
| 560 | M | 33.2 | Very low | 38.2 | Very low | 169 Ų | 169 | 146.4 Ų | 146.4 | 83% | 0.833 | 79% | 0.788 | S | S | * | * | | | trans | 104.8 | 141.6 | 140.1 | -142.9 | -177.9 | -52.3 | 0 | 0 | 119.3 | | |
| 561 | H | 30.8 | Very low | 38.2 | Very low | 171 Ų | 171 | 146.6 Ų | 146.6 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | | | trans | 82.4 | 111.1 | 153.5 | -121.8 | -110.2 | 0 | 0 | 0 | 122.1 | | |
| 562 | R | 37.3 | Very low | 38 | Very low | 223 Ų | 223 | 146.7 Ų | 146.7 | 84% | 0.842 | 80% | 0.802 | S | S | * | * | | | trans | -95.9 | -179.7 | 150.3 | -132.9 | -169.5 | 175.5 | 117.6 | -2.7 | 106.7 | | |
| 563 | P | 47 | Very low | 37.7 | Very low | 100 Ų | 100 | 142.9 Ų | 142.9 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | | | cis | -134.9 | -138.2 | -0.8 | 41.4 | -17.6 | 0 | 0 | 0 | 110.3 | | |
| 564 | P | 49.9 | Very low | 37.7 | Very low | 100 Ų | 100 | 144 Ų | 144 | 65% | 0.649 | 81% | 0.808 | S | S | * | * | | | cis | -137.4 | -173.9 | -21.5 | 40.2 | -21.7 | 0 | 0 | 0 | 116.4 | | |
| 565 | L | 35 | Very low | 37.4 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | | | trans | 68.6 | 150.8 | 159.2 | -94.8 | 77.5 | 0 | 0 | 0 | 118.8 | | |
| 566 | S | 32.7 | Very low | 37.4 | Very low | 93 Ų | 93 | 146.5 Ų | 146.5 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | | | cis | -167.2 | 168.9 | -14.5 | -154 | 0 | 0 | 0 | 0 | 113.4 | | |
| 567 | R | 34.2 | Very low | 37.3 | Very low | 232 Ų | 232 | 145.4 Ų | 145.4 | 88% | 0.875 | 80% | 0.802 | S | S | * | * | | | trans | 69.1 | 144.1 | 159.5 | -77.2 | -173.3 | -174.5 | -171.1 | 3 | 118.4 | | |
| 568 | V | 31.1 | Very low | 37.1 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | | | cis | -139.3 | 147.2 | -2.7 | 174 | 0 | 0 | 0 | 0 | 109.9 | | |
| 569 | G | 31.2 | Very low | 37.4 | Very low | 67 Ų | 67 | 144 Ų | 144 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | | | trans | 167.9 | 134.4 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 570 | P | 47.3 | Very low | 37.2 | Very low | 134 Ų | 134 | 141.8 Ų | 141.8 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | | | trans | -94.1 | 161.1 | -164.2 | 35.9 | -36.6 | 0 | 0 | 0 | 117.4 | | |
| 571 | E | 36 | Very low | 37.4 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | | | trans | -51.7 | 153.6 | 178.1 | -69 | -72.9 | 130.6 | 0 | 0 | 117.9 | | |
| 572 | V | 37.8 | Very low | 37.7 | Very low | 147 Ų | 147 | 142 Ų | 142 | 89% | 0.891 | 79% | 0.786 | S | S | * | * | | | | -177.7 | 133.5 | 118.2 | 143.9 | 0 | 0 | 0 | 0 | 111.7 | | |
| 573 | G | 33.3 | Very low | 38.7 | Very low | 67 Ų | 67 | 137.5 Ų | 137.5 | 69% | 0.691 | 79% | 0.785 | S | S | * | * | | | trans | 110.2 | 133.3 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119 | | |
| 574 | D | 33.9 | Very low | 38.3 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | | | trans | -48.1 | 159.9 | 168.4 | -91.9 | -62.4 | 0 | 0 | 0 | 114.8 | | |
| 575 | G | 34.3 | Very low | 37.6 | Very low | 59 Ų | 59 | 142.6 Ų | 142.6 | 61% | 0.608 | 80% | 0.802 | S | S | * | * | | | cis | 149.1 | 136.2 | 1.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 576 | R | 36.5 | Very low | 38.1 | Very low | 232 Ų | 232 | 149.7 Ų | 149.7 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | | | trans | 66.7 | 96.5 | 169.2 | -62.1 | 178.8 | 176.1 | 155.4 | 1.8 | 119.3 | | |
| 577 | T | 38.5 | Very low | 38.4 | Very low | 137 Ų | 137 | 152.6 Ų | 152.6 | 84% | 0.84 | 83% | 0.826 | S | S | * | * | | | | 38 | 120.3 | 127.1 | 54.9 | 0 | 0 | 0 | 0 | 120.8 | | |
| 578 | A | 37.6 | Very low | 38.6 | Very low | 87 Ų | 87 | 148.4 Ų | 148.4 | 72% | 0.719 | 82% | 0.824 | S | S | * | * | | | trans | -138 | 113.2 | 152.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 579 | L | 43.4 | Very low | 39 | Very low | 154 Ų | 154 | 148.8 Ų | 148.8 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | | | trans | -76 | 132.1 | 153 | -93.1 | 74.8 | 0 | 0 | 0 | 107.3 | | |
| 580 | I | 39.8 | Very low | 39.5 | Very low | 157 Ų | 157 | 153.6 Ų | 153.6 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | | | trans | -129.1 | 116.4 | 163.5 | -61.7 | -176 | 0 | 0 | 0 | 108.6 | | |
| 581 | Q | 37.8 | Very low | 39 | Very low | 161 Ų | 161 | 154.8 Ų | 154.8 | 75% | 0.752 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -88 | 167.3 | 173.9 | -63.8 | 172.5 | 4.3 | 0 | 0 | 109.9 | | |
| 582 | H | 37.7 | Very low | 39.2 | Very low | 184 Ų | 184 | 153.5 Ų | 153.5 | 85% | 0.852 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 138 | -176 | -57.6 | -82 | 0 | 0 | 0 | 113 | | |
| 583 | P | 56.6 | Low | 39.3 | Very low | 128 Ų | 128 | 153.9 Ų | 153.9 | 83% | 0.831 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 130.7 | 169.1 | 29.8 | -33.2 | 0 | 0 | 0 | 110.2 | | |
| 584 | G | 39.4 | Very low | 39.8 | Very low | 71 Ų | 71 | 160.6 Ų | 160.6 | 73% | 0.732 | 83% | 0.833 | S | S | * | * | | | trans | -92.3 | 178.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 585 | Y | 36.1 | Very low | 40.3 | Very low | 236 Ų | 236 | 159.8 Ų | 159.8 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | | | trans | -47.8 | 142.6 | 175.2 | -80.5 | -104.7 | 0 | 0 | 0 | 114.9 | | |
| 586 | R | 45.4 | Very low | 40.8 | Very low | 311 Ų | 311 | 168.9 Ų | 168.9 | 100% | 1.174 | 85% | 0.847 | S | S | * | * | | | trans | -132.6 | 0 | 133.8 | -93.6 | -168.6 | 171.1 | -89 | 1.8 | 109.2 | | |