| 1 | M | 43.6 | Very low | 40.1 | Very low | 238 Ų | 238 | 137.4 Ų | 137.4 | 100% | 1.172 | 86% | 0.858 | S | S | * | * | | | | 0 | 153.4 | 0 | -60.2 | 176.5 | -163.1 | 0 | 0 | 108 | | |
| 2 | L | 43 | Very low | 40.1 | Very low | 179 Ų | 179 | 135.7 Ų | 135.7 | 94% | 0.937 | 86% | 0.855 | S | S | * | * | | | trans | 49.8 | 109.8 | 166.1 | -63.4 | 171.6 | 0 | 0 | 0 | 118.1 | | |
| 3 | A | 39.4 | Very low | 40.1 | Very low | 100 Ų | 100 | 139.2 Ų | 139.2 | 83% | 0.826 | 85% | 0.85 | S | S | * | * | | | trans | -136.9 | 125.5 | 153.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 4 | C | 38.6 | Very low | 40.4 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 89% | 0.892 | 85% | 0.85 | S | S | * | * | | | trans | -59.7 | 137.8 | -157.9 | -51.8 | 0 | 0 | 0 | 0 | 117.4 | | |
| 5 | L | 41.8 | Very low | 40.3 | Very low | 163 Ų | 163 | 143.8 Ų | 143.8 | 85% | 0.853 | 85% | 0.852 | S | S | * | * | | | trans | -81.4 | 165.9 | 142.1 | -72.6 | 174.8 | 0 | 0 | 0 | 108.4 | | |
| 6 | P | 46.9 | Very low | 40 | Very low | 126 Ų | 126 | 144.3 Ų | 144.3 | 82% | 0.818 | 85% | 0.848 | S | S | * | * | | | cis | -141.3 | -178.1 | 26.5 | 43.4 | -24.8 | 0 | 0 | 0 | 117 | | |
| 7 | G | 30.2 | Very low | 39.6 | Very low | 71 Ų | 71 | 143.1 Ų | 143.1 | 73% | 0.732 | 85% | 0.849 | S | S | * | * | | | trans | 163.3 | 85.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 8 | P | 47.1 | Very low | 39.3 | Very low | 134 Ų | 134 | 147.3 Ų | 147.3 | 87% | 0.87 | 85% | 0.849 | S | S | * | * | | | trans | -83.5 | 129.4 | -179.9 | 32.5 | -32.5 | 0 | 0 | 0 | 112.7 | | |
| 9 | G | 35.3 | Very low | 39.3 | Very low | 78 Ų | 78 | 145.8 Ų | 145.8 | 80% | 0.804 | 84% | 0.843 | S | S | * | * | | | trans | -119.3 | 124.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 10 | D | 37 | Very low | 39.4 | Very low | 156 Ų | 156 | 147.8 Ų | 147.8 | 83% | 0.834 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 171.9 | -161.8 | -142.4 | -27 | 0 | 0 | 0 | 114.6 | | |
| 11 | L | 37.8 | Very low | 39.2 | Very low | 134 Ų | 134 | 149 Ų | 149 | 70% | 0.702 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 148 | -153.2 | -71.4 | 160.8 | 0 | 0 | 0 | 116.7 | F13 | L11-F13 HydrophobicContact CB-CD2 4.38Å; L11-F13 HydrophobicContact CB-CE2 4.04Å; L11-F13 PolarHBondContact O-N 3.45Å |
| 12 | S | 41 | Very low | 39 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -64 | 119.7 | 166.5 | -54.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 13 | F | 39.1 | Very low | 39 | Very low | 181 Ų | 181 | 142.8 Ų | 142.8 | 79% | 0.794 | 82% | 0.822 | S | S | * | * | | | trans | -119.9 | 76.8 | 164.9 | -81.4 | -76.1 | 0 | 0 | 0 | 112.6 | L11 | L11-F13 HydrophobicContact CB-CD2 4.38Å; L11-F13 HydrophobicContact CB-CE2 4.04Å; L11-F13 PolarHBondContact O-N 3.45Å |
| 14 | Q | 45 | Very low | 38.8 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | | | trans | 9.2 | 113.2 | 134.9 | -170.7 | 172.6 | 19.2 | 0 | 0 | 116.5 | | |
| 15 | L | 38.2 | Very low | 39.1 | Very low | 168 Ų | 168 | 142.5 Ų | 142.5 | 88% | 0.88 | 81% | 0.808 | S | S | * | * | | | trans | -131.8 | 141 | 168.8 | -145.7 | 147 | 0 | 0 | 0 | 109.7 | | |
| 16 | L | 36.7 | Very low | 39.1 | Very low | 152 Ų | 152 | 142 Ų | 142 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 150.5 | -157.8 | -81.9 | 67.4 | 0 | 0 | 0 | 114.5 | Y18 | L16-Y18 PolarHBondContact O-N 3.46Š|
| 17 | S | 32.1 | Very low | 38.7 | Very low | 123 Ų | 123 | 143 Ų | 143 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 117.4 | 178.6 | -44.8 | 0 | 0 | 0 | 0 | 112.9 | | |
| 18 | Y | 34.1 | Very low | 39.1 | Very low | 219 Ų | 219 | 150.5 Ų | 150.5 | 86% | 0.859 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 136.8 | 160.3 | -167.7 | -97.8 | 0 | 0 | 0 | 109.7 | L16 Q20 | L16-Y18 PolarHBondContact O-N 3.46Å; Y18-Q20 PolarHBondContact O-N 3.44Å |
| 19 | T | 39.5 | Very low | 39.1 | Very low | 120 Ų | 120 | 149.6 Ų | 149.6 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | | | trans | -76.9 | 83.9 | -171.4 | 31.8 | 0 | 0 | 0 | 0 | 112.9 | M21 | T19-M21 PolarHBondContact O-N 3.28Š|
| 20 | Q | 41.7 | Very low | 39.5 | Very low | 185 Ų | 185 | 151 Ų | 151 | 86% | 0.864 | 78% | 0.78 | S | S | * | * | | | trans | -60.5 | 118 | 165.5 | -170.1 | 175.5 | 24.9 | 0 | 0 | 109.5 | Y18 N22 | Y18-Q20 PolarHBondContact O-N 3.44Å; Q20-N22 PolarHBondContact O-N 3.49Å |
| 21 | M | 35.1 | Very low | 40.1 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 85% | 0.852 | 78% | 0.782 | S | S | * | * | | | trans | -64.9 | 133.1 | -175.7 | -73.4 | -174.2 | -74.1 | 0 | 0 | 111.8 | T19 T23 | T19-M21 PolarHBondContact O-N 3.28Å; M21-T23 PolarHBondContact O-N 3.22Å; M21-T23 VanDerWaalsContact O-N 3.15Å |
| 22 | N | 39.3 | Very low | 40.3 | Very low | 149 Ų | 149 | 151.2 Ų | 151.2 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | | | trans | -81.8 | 93.4 | -175.1 | -167.3 | -38.3 | 0 | 0 | 0 | 111.1 | Q20 G24 | Q20-N22 PolarHBondContact O-N 3.49Å; N22-G24 VanDerWaalsContact OD1-CA 3.24Å; N22-G24 WeakPolarHBondContact OD1-CA 3.48Å; N22-G24 PolarHBondContact OD1-N 2.9Å |
| 23 | T | 43.4 | Very low | 40.6 | Very low | 137 Ų | 137 | 154.6 Ų | 154.6 | 84% | 0.84 | 78% | 0.783 | S | S | * | * | | | trans | -91.8 | 96.7 | 153.8 | 54.4 | 0 | 0 | 0 | 0 | 107.4 | M21 | M21-T23 PolarHBondContact O-N 3.22Å; M21-T23 VanDerWaalsContact O-N 3.15Å |
| 24 | G | 34.6 | Very low | 40.7 | Very low | 47 Ų | 47 | 153.6 Ų | 153.6 | 49% | 0.485 | 78% | 0.782 | S | S | . | * | | | trans | -63.1 | 173 | -164.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | N22 Q26 | N22-G24 VanDerWaalsContact OD1-CA 3.24Å; N22-G24 WeakPolarHBondContact OD1-CA 3.48Å; N22-G24 PolarHBondContact OD1-N 2.9Å; G24-Q26 VanDerWaalsContact C-N 3.33Å; G24-Q26 PolarHBondContact O-N 3.2Å |
| 25 | L | 45.3 | Very low | 41 | Very low | 179 Ų | 179 | 155.4 Ų | 155.4 | 94% | 0.937 | 78% | 0.781 | S | S | * | * | | | trans | -56.8 | 84.9 | -177.8 | -79.9 | 157.4 | 0 | 0 | 0 | 113.2 | K27 | L25-K27 VanDerWaalsContact C-N 3.26Å; L25-K27 PolarHBondContact O-N 2.99Å |
| 26 | Q | 41 | Very low | 41.7 | Very low | 152 Ų | 152 | 151.4 Ų | 151.4 | 71% | 0.71 | 77% | 0.768 | S | S | * | * | | | trans | -66 | 91.7 | 156.7 | -77.5 | -73.9 | 14.1 | 0 | 0 | 107.9 | G24 W28 | G24-Q26 VanDerWaalsContact C-N 3.33Å; G24-Q26 PolarHBondContact O-N 3.2Å; Q26-W28 PolarHBondContact O-N 3.03Å |
| 27 | K | 38.7 | Very low | 42.4 | Very low | 149 Ų | 149 | 147.6 Ų | 147.6 | 65% | 0.648 | 76% | 0.758 | S | S | * | * | | | trans | -54.6 | 99.2 | 167.3 | 34.7 | 166.6 | -81.5 | 135.3 | 0 | 110.3 | L25 D29 | L25-K27 VanDerWaalsContact C-N 3.26Å; L25-K27 PolarHBondContact O-N 2.99Å; K27-D29 VanDerWaalsContact CE-OD2 3.26Å; K27-D29 WeakPolarHBondContact CE-OD2 3.44Å; K27-D29 IonicContact NZ-OD2 2.74Å; K27-D29 PolarHBondContact NZ-OD2 2.91Å; K27-D29 PolarHBondContact O-N 2.92Å |
| 28 | W | 39.3 | Very low | 44.5 | Very low | 228 Ų | 228 | 147.5 Ų | 147.5 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | | | trans | -73 | 48.6 | 178.5 | -72.2 | 95.9 | 0 | 0 | 0 | 112.9 | Q26 T30 | Q26-W28 PolarHBondContact O-N 3.03Å; W28-T30 PolarHBondContact O-N 2.84Å |
| 29 | D | 45.9 | Very low | 46.5 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 61% | 0.61 | 74% | 0.74 | S | S | * | * | | | trans | -76.1 | 53.2 | 176.2 | -68.7 | -47.9 | 0 | 0 | 0 | 111.8 | K27 | K27-D29 VanDerWaalsContact CE-OD2 3.26Å; K27-D29 WeakPolarHBondContact CE-OD2 3.44Å; K27-D29 IonicContact NZ-OD2 2.74Å; K27-D29 PolarHBondContact NZ-OD2 2.91Å; K27-D29 PolarHBondContact O-N 2.92Å |
| 30 | T | 44.9 | Very low | 48.6 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 66% | 0.663 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -162.3 | 119.7 | 159.4 | -72.9 | 0 | 0 | 0 | 0 | 107.9 | W28 Q32 | W28-T30 PolarHBondContact O-N 2.84Å; T30-Q32 HydrophobicContact CG2-CB 4.17Å; T30-Q32 PolarHBondContact O-N 3.22Å |
| 31 | T | 50 | Low | 51 | Low | 141 Ų | 141 | 138 Ų | 138 | 87% | 0.865 | 70% | 0.702 | S | S | * | * | | | trans | -71 | 69.7 | 166.2 | -54 | 0 | 0 | 0 | 0 | 109.1 | K33 | T31-K33 VanDerWaalsContact C-N 3.29Å; T31-K33 PolarHBondContact O-N 2.87Å |
| 32 | Q | 41.6 | Very low | 53.5 | Low | 153 Ų | 153 | 135.1 Ų | 135.1 | 72% | 0.715 | 70% | 0.696 | S | S | * | * | | | trans | -68.2 | 98.9 | 169.4 | -167.3 | 177 | 32.6 | 0 | 0 | 105.3 | T30 M34 | T30-Q32 HydrophobicContact CG2-CB 4.17Å; T30-Q32 PolarHBondContact O-N 3.22Å; Q32-M34 PolarHBondContact O-N 3.3Å |
| 33 | K | 46.1 | Very low | 55.9 | Low | 189 Ų | 189 | 131.2 Ų | 131.2 | 82% | 0.822 | 69% | 0.685 | S | S | * | * | | | trans | -64.6 | 82.7 | -178.1 | -172.9 | 178.9 | -177.9 | 178.5 | 0 | 108.4 | T31 R35 | T31-K33 VanDerWaalsContact C-N 3.29Å; T31-K33 PolarHBondContact O-N 2.87Å; K33-R35 PolarHBondContact O-N 2.92Å |
| 34 | M | 43.1 | Very low | 58.2 | Low | 160 Ų | 160 | 129.5 Ų | 129.5 | 79% | 0.788 | 67% | 0.667 | S | S | * | * | | | trans | -42.6 | 112 | 174.2 | -78.1 | -72.5 | -81.1 | 0 | 0 | 106.6 | Q32 S36 | Q32-M34 PolarHBondContact O-N 3.3Å; M34-S36 PolarHBondContact O-N 3.44Å |
| 35 | R | 51.3 | Low | 60.7 | Low | 217 Ų | 217 | 131.9 Ų | 131.9 | 82% | 0.819 | 67% | 0.668 | S | S | * | * | | | trans | -74.3 | 83.5 | -169.6 | -168.1 | 175.4 | -176.7 | 112.1 | -0.1 | 107.9 | K33 A37 | K33-R35 PolarHBondContact O-N 2.92Å; R35-A37 PolarHBondContact O-N 3.07Å |
| 36 | S | 51.2 | Low | 62.8 | Low | 85 Ų | 85 | 127 Ų | 127 | 59% | 0.594 | 64% | 0.643 | S | S | * | * | | | trans | -38.7 | 127.6 | 163.8 | 49.9 | 0 | 0 | 0 | 0 | 107.5 | M34 Q38 | M34-S36 PolarHBondContact O-N 3.44Å; S36-Q38 PolarHBondContact O-N 3.02Å |
| 37 | A | 53.1 | Low | 65.1 | Low | 71 Ų | 71 | 122.4 Ų | 122.4 | 59% | 0.587 | 63% | 0.631 | S | S | * | * | | | trans | -48.2 | 111.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | R35 Y39 | R35-A37 PolarHBondContact O-N 3.07Å; A37-Y39 WeakPolarHBondContact O-CD2 3.3Å; A37-Y39 PolarHBondContact O-N 3.42Å |
| 38 | Q | 75.6 | Confident | 67.4 | Low | 121 Ų | 121 | 121.7 Ų | 121.7 | 57% | 0.565 | 63% | 0.625 | S | S | * | * | | | trans | -75.9 | 84.9 | -169.3 | -176.6 | 70.4 | 36.8 | 0 | 0 | 106.7 | S36 P40 | S36-Q38 PolarHBondContact O-N 3.02Å; Q38-P40 VanDerWaalsContact O-N 3.13Å |
| 39 | Y | 75.8 | Confident | 69.6 | Low | 197 Ų | 197 | 113.3 Ų | 113.3 | 77% | 0.773 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 120.2 | 172.8 | -71.8 | -80 | 0 | 0 | 0 | 107.3 | A37 T41 | A37-Y39 WeakPolarHBondContact O-CD2 3.3Å; A37-Y39 PolarHBondContact O-N 3.42Å; Y39-T41 PolarHBondContact O-N 3.4Å |
| 40 | P | 84.4 | Confident | 71.6 | Confident | 67 Ų | 67 | 114.1 Ų | 114.1 | 44% | 0.435 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -62.2 | 132.9 | -174.6 | 25.9 | -34.8 | 0 | 0 | 0 | 108.7 | Q38 E44 L45 | Q38-P40 VanDerWaalsContact O-N 3.13Å; P40-E44 HydrophobicContact CB-CB 4.19Å; P40-L45 HydrophobicContact CB-CD2 4.09Å; P40-L45 HydrophobicContact CB-CG 4.06Å; P40-L45 HydrophobicContact CG-CD1 4.33Å; P40-L45 HydrophobicContact CG-CD2 3.65Å; P40-L45 HydrophobicContact CG-CG 3.94Å |
| 41 | T | 90.4 | Very high | 73.6 | Confident | 60 Ų | 60 | 117 Ų | 117 | 37% | 0.368 | 61% | 0.606 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 156.6 | 176.8 | 60 | 0 | 0 | 0 | 0 | 110.2 | Y39 A43 E44 L45 | Y39-T41 PolarHBondContact O-N 3.4Å; T41-A43 PolarHBondContact O-N 2.92Å; T41-A43 VanDerWaalsContact O-N 3.09Å; T41-E44 VanDerWaalsContact CB-OE2 3.31Å; T41-E44 WeakPolarHBondContact CB-OE2 3.43Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.4Å; T41-E44 PolarHBondContact N-OE2 3.21Å; T41-E44 PolarHBondContact O-N 3.36Å; T41-E44 WeakPolarHBondContact OG1-CG 3.49Å; T41-E44 PolarHBondContact OG1-N 3.35Å; T41-E44 PolarHBondContact OG1-OE2 3.49Å; T41-L45 PolarHBondContact O-N 2.66Å |
| 42 | P | 88.9 | Confident | 75.4 | Confident | 113 Ų | 113 | 112.1 Ų | 112.1 | 73% | 0.734 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -54 | -31 | 175.2 | -27.9 | 36.1 | 0 | 0 | 0 | 113.5 | D46 | P42-D46 WeakPolarHBondContact O-CB 3.5Å; P42-D46 PolarHBondContact O-N 3.11Å |
| 43 | A | 89.7 | Confident | 77.1 | Confident | 68 Ų | 68 | 108.2 Ų | 108.2 | 56% | 0.562 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -71.2 | -39.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | T41 L45 D46 A47 | T41-A43 PolarHBondContact O-N 2.92Å; T41-A43 VanDerWaalsContact O-N 3.09Å; A43-L45 VanDerWaalsContact C-N 3.35Å; A43-D46 PolarHBondContact O-N 3.15Å; A43-A47 VanDerWaalsContact O-CB 3.27Å; A43-A47 WeakPolarHBondContact O-CB 3.46Å; A43-A47 PolarHBondContact O-N 2.94Å |
| 44 | E | 90.6 | Very high | 78.6 | Confident | 100 Ų | 100 | 106 Ų | 106 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -67.4 | -36.3 | 174 | -72.3 | 162.5 | 120.2 | 0 | 0 | 111.6 | P40 T41 Y48 | P40-E44 HydrophobicContact CB-CB 4.19Å; T41-E44 VanDerWaalsContact CB-OE2 3.31Å; T41-E44 WeakPolarHBondContact CB-OE2 3.43Å; T41-E44 WeakPolarHBondContact CG2-OE2 3.4Å; T41-E44 PolarHBondContact N-OE2 3.21Å; T41-E44 PolarHBondContact O-N 3.36Å; T41-E44 WeakPolarHBondContact OG1-CG 3.49Å; T41-E44 PolarHBondContact OG1-N 3.35Å; T41-E44 PolarHBondContact OG1-OE2 3.49Å; E44-Y48 VanDerWaalsContact O-CB 3.32Å; E44-Y48 WeakPolarHBondContact O-CB 3.27Å; E44-Y48 PolarHBondContact O-N 2.89Å |
| 45 | L | 88.3 | Confident | 80.4 | Confident | 97 Ų | 97 | 104.3 Ų | 104.3 | 51% | 0.508 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.2 | -42.6 | 173.8 | -70.6 | 174.6 | 0 | 0 | 0 | 112.5 | P40 T41 A43 Y48 A49 | P40-L45 HydrophobicContact CB-CD2 4.09Å; P40-L45 HydrophobicContact CB-CG 4.06Å; P40-L45 HydrophobicContact CG-CD1 4.33Å; P40-L45 HydrophobicContact CG-CD2 3.65Å; P40-L45 HydrophobicContact CG-CG 3.94Å; T41-L45 PolarHBondContact O-N 2.66Å; A43-L45 VanDerWaalsContact C-N 3.35Å; L45-Y48 PolarHBondContact O-N 2.89Å; L45-A49 WeakPolarHBondContact O-CB 3.41Å; L45-A49 PolarHBondContact O-N 2.84Å |
| 46 | D | 89.7 | Confident | 81.4 | Confident | 76 Ų | 76 | 98.5 Ų | 98.5 | 41% | 0.406 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.3 | -42 | 174.7 | 169.6 | 66.7 | 0 | 0 | 0 | 112.1 | P42 A43 Y48 A49 K50 | P42-D46 WeakPolarHBondContact O-CB 3.5Å; P42-D46 PolarHBondContact O-N 3.11Å; A43-D46 PolarHBondContact O-N 3.15Å; D46-Y48 VanDerWaalsContact C-N 3.34Å; D46-Y48 PolarHBondContact O-N 3.36Å; D46-A49 PolarHBondContact O-N 3.46Å; D46-K50 VanDerWaalsContact CG-NZ 3.27Å; D46-K50 WeakPolarHBondContact O-CB 3.09Å; D46-K50 WeakPolarHBondContact O-CG 3.37Å; D46-K50 PolarHBondContact O-N 2.88Å; D46-K50 WeakPolarHBondContact OD1-CE 3.45Å; D46-K50 IonicContact OD1-NZ 3.11Å; D46-K50 PolarHBondContact OD1-NZ 3.47Å; D46-K50 VanDerWaalsContact OD1-NZ 3.11Å; D46-K50 WeakPolarHBondContact OD2-CE 3.35Å; D46-K50 IonicContact OD2-NZ 2.66Å; D46-K50 PolarHBondContact OD2-NZ 2.96Å |
| 47 | A | 89.3 | Confident | 82.6 | Confident | 56 Ų | 56 | 100.6 Ų | 100.6 | 46% | 0.463 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.5 | -39.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | A43 K51 | A43-A47 VanDerWaalsContact O-CB 3.27Å; A43-A47 WeakPolarHBondContact O-CB 3.46Å; A43-A47 PolarHBondContact O-N 2.94Å; A47-K51 WeakPolarHBondContact O-CB 3.32Å; A47-K51 PolarHBondContact O-N 3.01Å |
| 48 | Y | 86.4 | Confident | 83.5 | Confident | 134 Ų | 134 | 102.7 Ų | 102.7 | 53% | 0.525 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.8 | -45.7 | 172.6 | -177.4 | -94.4 | 0 | 0 | 0 | 111.6 | E44 L45 D46 K50 K51 V52 | E44-Y48 VanDerWaalsContact O-CB 3.32Å; E44-Y48 WeakPolarHBondContact O-CB 3.27Å; E44-Y48 PolarHBondContact O-N 2.89Å; L45-Y48 PolarHBondContact O-N 2.89Å; D46-Y48 VanDerWaalsContact C-N 3.34Å; D46-Y48 PolarHBondContact O-N 3.36Å; Y48-K50 VanDerWaalsContact C-N 3.35Å; Y48-K50 PolarHBondContact O-N 3.26Å; Y48-K51 WeakPolarHBondContact O-CA 3.36Å; Y48-K51 WeakPolarHBondContact O-CB 3.31Å; Y48-K51 PolarHBondContact O-N 2.99Å; Y48-K51 VanDerWaalsContact O-N 3.07Å; Y48-V52 HydrophobicContact CD1-CG1 4.3Å; Y48-V52 HydrophobicContact CD1-CG2 4.39Å; Y48-V52 HydrophobicContact CE1-CG1 3.79Å; Y48-V52 HydrophobicContact CE1-CG2 4.21Å; Y48-V52 HydrophobicContact CE2-CG1 4.11Å; Y48-V52 WeakPolarHBondContact O-CG2 3.35Å; Y48-V52 PolarHBondContact O-N 2.66Å |
| 49 | A | 85.8 | Confident | 83.2 | Confident | 52 Ų | 52 | 103.6 Ų | 103.6 | 43% | 0.43 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -57.4 | -45.9 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | L45 D46 K51 V52 A53 | L45-A49 WeakPolarHBondContact O-CB 3.41Å; L45-A49 PolarHBondContact O-N 2.84Å; D46-A49 PolarHBondContact O-N 3.46Å; A49-K51 VanDerWaalsContact C-N 3.33Å; A49-K51 PolarHBondContact O-N 3.29Å; A49-V52 PolarHBondContact O-N 2.78Å; A49-A53 WeakPolarHBondContact O-CB 3.35Å; A49-A53 PolarHBondContact O-N 3.44Å |
| 50 | K | 86.9 | Confident | 82.7 | Confident | 132 Ų | 132 | 102 Ų | 102 | 57% | 0.574 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -62.7 | -36.3 | 174.3 | -73.5 | 165 | 177.9 | 165.3 | 0 | 112.6 | D46 Y48 | D46-K50 VanDerWaalsContact CG-NZ 3.27Å; D46-K50 WeakPolarHBondContact O-CB 3.09Å; D46-K50 WeakPolarHBondContact O-CG 3.37Å; D46-K50 PolarHBondContact O-N 2.88Å; D46-K50 WeakPolarHBondContact OD1-CE 3.45Å; D46-K50 IonicContact OD1-NZ 3.11Å; D46-K50 PolarHBondContact OD1-NZ 3.47Å; D46-K50 VanDerWaalsContact OD1-NZ 3.11Å; D46-K50 WeakPolarHBondContact OD2-CE 3.35Å; D46-K50 IonicContact OD2-NZ 2.66Å; D46-K50 PolarHBondContact OD2-NZ 2.96Å; Y48-K50 VanDerWaalsContact C-N 3.35Å; Y48-K50 PolarHBondContact O-N 3.26Å |
| 51 | K | 88.1 | Confident | 82.2 | Confident | 168 Ų | 168 | 104.7 Ų | 104.7 | 73% | 0.73 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69 | -36.8 | 175.8 | -172.9 | 175.4 | 179.5 | 178.1 | 0 | 112.8 | A47 Y48 A49 | A47-K51 WeakPolarHBondContact O-CB 3.32Å; A47-K51 PolarHBondContact O-N 3.01Å; Y48-K51 WeakPolarHBondContact O-CA 3.36Å; Y48-K51 WeakPolarHBondContact O-CB 3.31Å; Y48-K51 PolarHBondContact O-N 2.99Å; Y48-K51 VanDerWaalsContact O-N 3.07Å; A49-K51 VanDerWaalsContact C-N 3.33Å; A49-K51 PolarHBondContact O-N 3.29Å |
| 52 | V | 86.7 | Confident | 81.4 | Confident | 38 Ų | 38 | 107.9 Ų | 107.9 | 23% | 0.23 | 58% | 0.584 | C | S | . | * | H | α-helix | trans | -90 | -11.5 | 178.1 | -56.3 | 0 | 0 | 0 | 0 | 114.2 | Y48 A49 N54 N55 | Y48-V52 HydrophobicContact CD1-CG1 4.3Å; Y48-V52 HydrophobicContact CD1-CG2 4.39Å; Y48-V52 HydrophobicContact CE1-CG1 3.79Å; Y48-V52 HydrophobicContact CE1-CG2 4.21Å; Y48-V52 HydrophobicContact CE2-CG1 4.11Å; Y48-V52 WeakPolarHBondContact O-CG2 3.35Å; Y48-V52 PolarHBondContact O-N 2.66Å; A49-V52 PolarHBondContact O-N 2.78Å; V52-N54 PolarHBondContact O-N 2.96Å; V52-N55 CarbonylContact O-C 3.07Å; V52-N55 WeakPolarHBondContact O-CA 3.26Å; V52-N55 PolarHBondContact O-N 2.69Å; V52-N55 VanDerWaalsContact O-O 3.08Å |
| 53 | A | 77 | Confident | 80.3 | Confident | 71 Ų | 71 | 107.8 Ų | 107.8 | 59% | 0.587 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -54.9 | -37.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A49 | A49-A53 WeakPolarHBondContact O-CB 3.35Å; A49-A53 PolarHBondContact O-N 3.44Å |
| 54 | N | 79.3 | Confident | 78.8 | Confident | 143 Ų | 143 | 112 Ų | 112 | 77% | 0.765 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -0.6 | 177.3 | -62.1 | -31.6 | 0 | 0 | 0 | 113.7 | V52 | V52-N54 PolarHBondContact O-N 2.96Š|
| 55 | N | 79.2 | Confident | 77.3 | Confident | 125 Ų | 125 | 111.2 Ų | 111.2 | 67% | 0.668 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -136.6 | 70.8 | 176.7 | -91.8 | -89.2 | 0 | 0 | 0 | 109.3 | V52 L57 | V52-N55 CarbonylContact O-C 3.07Å; V52-N55 WeakPolarHBondContact O-CA 3.26Å; V52-N55 PolarHBondContact O-N 2.69Å; V52-N55 VanDerWaalsContact O-O 3.08Å; N55-L57 PolarHBondContact O-N 2.89Å |
| 56 | P | 73.3 | Confident | 76.1 | Confident | 94 Ų | 94 | 110.5 Ų | 110.5 | 61% | 0.61 | 60% | 0.601 | S | S | * | * | | | trans | -60.4 | 122.8 | -174.3 | 23.8 | -34.4 | 0 | 0 | 0 | 111.4 | T58 | P56-T58 PolarHBondContact O-N 2.77Å; P56-T58 PolarHBondContact O-OG1 2.87Å |
| 57 | L | 76.9 | Confident | 75 | Confident | 130 Ų | 130 | 116 Ų | 116 | 68% | 0.681 | 62% | 0.622 | S | S | * | * | | | trans | -58.2 | 100.4 | 179.6 | -66.6 | 175 | 0 | 0 | 0 | 109.9 | N55 I59 | N55-L57 PolarHBondContact O-N 2.89Å; L57-I59 VanDerWaalsContact C-N 3.33Å; L57-I59 PolarHBondContact O-N 2.71Å |
| 58 | T | 70.4 | Confident | 73.7 | Confident | 115 Ų | 115 | 118.3 Ų | 118.3 | 71% | 0.706 | 63% | 0.63 | S | S | * | * | | | trans | -83.2 | 80.5 | -168.3 | -58.6 | 0 | 0 | 0 | 0 | 110 | P56 K60 | P56-T58 PolarHBondContact O-N 2.77Å; P56-T58 PolarHBondContact O-OG1 2.87Å; T58-K60 PolarHBondContact O-N 2.82Å |
| 59 | I | 70.7 | Confident | 72.4 | Confident | 139 Ų | 139 | 117.5 Ų | 117.5 | 71% | 0.713 | 64% | 0.641 | S | S | * | * | | | trans | -68 | 99.4 | 175.2 | -55.7 | 176.7 | 0 | 0 | 0 | 108.3 | L57 I61 | L57-I59 VanDerWaalsContact C-N 3.33Å; L57-I59 PolarHBondContact O-N 2.71Å; I59-I61 VanDerWaalsContact C-N 3.3Å; I59-I61 HydrophobicContact CG2-CG1 3.86Å; I59-I61 PolarHBondContact O-N 3.23Å |
| 60 | K | 64.9 | Low | 71.3 | Confident | 163 Ų | 163 | 123.2 Ų | 123.2 | 71% | 0.709 | 66% | 0.659 | S | S | * | * | | | trans | -70.7 | 86.1 | 172.2 | -73.8 | -173 | 176.7 | 179.5 | 0 | 110.1 | T58 F62 | T58-K60 PolarHBondContact O-N 2.82Å; K60-F62 HydrophobicContact CB-CE2 4.1Å; K60-F62 HydrophobicContact CB-CZ 4.33Å; K60-F62 VanDerWaalsContact O-CD2 3.3Å; K60-F62 WeakPolarHBondContact O-CD2 3.21Å; K60-F62 PolarHBondContact O-N 3.45Å |
| 61 | I | 72.8 | Confident | 70 | Confident | 124 Ų | 124 | 126.8 Ų | 126.8 | 64% | 0.636 | 67% | 0.669 | S | S | * | * | | | trans | -71.7 | 93.6 | 171.5 | -56.3 | -179.9 | 0 | 0 | 0 | 108.4 | I59 V66 | I59-I61 VanDerWaalsContact C-N 3.3Å; I59-I61 HydrophobicContact CG2-CG1 3.86Å; I59-I61 PolarHBondContact O-N 3.23Å; I61-V66 HydrophobicContact CG2-CG2 3.27Å |
| 62 | F | 74 | Confident | 68.8 | Low | 128 Ų | 128 | 127.7 Ų | 127.7 | 56% | 0.561 | 67% | 0.673 | S | S | * | * | | | trans | -68.2 | 132.6 | 169.3 | -61.4 | -85.3 | 0 | 0 | 0 | 109.3 | K60 N64 S65 | K60-F62 HydrophobicContact CB-CE2 4.1Å; K60-F62 HydrophobicContact CB-CZ 4.33Å; K60-F62 VanDerWaalsContact O-CD2 3.3Å; K60-F62 WeakPolarHBondContact O-CD2 3.21Å; K60-F62 PolarHBondContact O-N 3.45Å; F62-N64 PolarHBondContact O-N 3.09Å; F62-N64 VanDerWaalsContact O-N 3.15Å; F62-S65 WeakPolarHBondContact O-CB 3.24Å; F62-S65 PolarHBondContact O-N 2.9Å |
| 63 | P | 66.1 | Low | 67.5 | Low | 111 Ų | 111 | 133.9 Ų | 133.9 | 72% | 0.721 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -60.4 | -29.8 | -177 | 22.6 | -33.1 | 0 | 0 | 0 | 112.7 | S65 | P63-S65 VanDerWaalsContact C-N 3.26Å; P63-S65 PolarHBondContact O-N 2.88Å |
| 64 | N | 58.9 | Low | 66.6 | Low | 155 Ų | 155 | 136 Ų | 136 | 83% | 0.829 | 70% | 0.699 | S | S | * | * | G | 310 helix | trans | -73.7 | -12.5 | 177.4 | -62.4 | -19 | 0 | 0 | 0 | 113.9 | F62 | F62-N64 PolarHBondContact O-N 3.09Å; F62-N64 VanDerWaalsContact O-N 3.15Å |
| 65 | S | 58.6 | Low | 65.7 | Low | 84 Ų | 84 | 136.5 Ų | 136.5 | 59% | 0.587 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -94.8 | -17.1 | -178.3 | -59.1 | 0 | 0 | 0 | 0 | 113.5 | F62 P63 K67 | F62-S65 WeakPolarHBondContact O-CB 3.24Å; F62-S65 PolarHBondContact O-N 2.9Å; P63-S65 VanDerWaalsContact C-N 3.26Å; P63-S65 PolarHBondContact O-N 2.88Å; S65-K67 VanDerWaalsContact C-N 3.25Å; S65-K67 PolarHBondContact O-N 2.78Å |
| 66 | V | 62.9 | Low | 64.9 | Low | 82 Ų | 82 | 139.6 Ų | 139.6 | 50% | 0.497 | 69% | 0.692 | S | S | . | * | | | trans | -82 | 69.3 | -176.1 | -165.4 | 0 | 0 | 0 | 0 | 111.1 | I61 V68 | I61-V66 HydrophobicContact CG2-CG2 3.27Å; V66-V68 HydrophobicContact CG1-CG2 3.97Å; V66-V68 PolarHBondContact O-N 3.33Å |
| 67 | K | 66.7 | Low | 64.4 | Low | 193 Ų | 193 | 138.6 Ų | 138.6 | 84% | 0.839 | 69% | 0.685 | S | S | * | * | | | trans | -70.4 | 81.9 | 161.5 | -80 | -179 | 176.7 | 172.4 | 0 | 109.1 | S65 P69 | S65-K67 VanDerWaalsContact C-N 3.25Å; S65-K67 PolarHBondContact O-N 2.78Å; K67-P69 VanDerWaalsContact O-CD 3.26Å; K67-P69 WeakPolarHBondContact O-CD 3.26Å; K67-P69 VanDerWaalsContact O-N 3.17Å |
| 68 | V | 63.2 | Low | 63.5 | Low | 103 Ų | 103 | 137.3 Ų | 137.3 | 62% | 0.624 | 68% | 0.682 | S | S | * | * | | | trans | -50.4 | 121.7 | 163.1 | 179.8 | 0 | 0 | 0 | 0 | 107 | V66 Q70 | V66-V68 HydrophobicContact CG1-CG2 3.97Å; V66-V68 PolarHBondContact O-N 3.33Å; V68-Q70 VanDerWaalsContact C-N 3.28Å; V68-Q70 PolarHBondContact O-N 3.26Å |
| 69 | P | 59.1 | Low | 62.8 | Low | 117 Ų | 117 | 139.9 Ų | 139.9 | 76% | 0.76 | 69% | 0.691 | S | S | * | * | | | trans | -65.8 | 95.6 | 171.5 | -18.7 | 32.8 | 0 | 0 | 0 | 107.6 | K67 R71 | K67-P69 VanDerWaalsContact O-CD 3.26Å; K67-P69 WeakPolarHBondContact O-CD 3.26Å; K67-P69 VanDerWaalsContact O-N 3.17Å; P69-R71 PolarHBondContact O-N 2.72Å |
| 70 | Q | 61.8 | Low | 62.5 | Low | 173 Ų | 173 | 136.4 Ų | 136.4 | 81% | 0.808 | 69% | 0.69 | S | S | * | * | | | trans | -49.2 | 107.3 | 165.5 | -83.2 | -71.6 | -4.7 | 0 | 0 | 106.3 | V68 K72 | V68-Q70 VanDerWaalsContact C-N 3.28Å; V68-Q70 PolarHBondContact O-N 3.26Å; Q70-K72 PolarHBondContact O-N 2.86Å |
| 71 | R | 60.4 | Low | 62 | Low | 206 Ų | 206 | 135.2 Ų | 135.2 | 78% | 0.777 | 69% | 0.691 | S | S | * | * | | | trans | -66.9 | 89.4 | -170.9 | -178.6 | -176.6 | -176.1 | 172.4 | 4.3 | 106.9 | P69 H73 | P69-R71 PolarHBondContact O-N 2.72Å; R71-H73 PolarHBondContact O-N 3.02Å |
| 72 | K | 62.5 | Low | 61.4 | Low | 188 Ų | 188 | 131.2 Ų | 131.2 | 82% | 0.817 | 67% | 0.671 | S | S | * | * | | | trans | -38.8 | 117.4 | 177.4 | -76.4 | -172.2 | 176.4 | -176.8 | 0 | 106.6 | Q70 I74 | Q70-K72 PolarHBondContact O-N 2.86Å; K72-I74 PolarHBondContact O-N 3.01Å |
| 73 | H | 58.8 | Low | 60.8 | Low | 168 Ų | 168 | 129.7 Ų | 129.7 | 78% | 0.778 | 67% | 0.672 | S | S | * | * | | | trans | -46 | 112.8 | -169.7 | -90.3 | -117.2 | 0 | 0 | 0 | 108.1 | R71 R75 | R71-H73 PolarHBondContact O-N 3.02Å; H73-R75 PolarHBondContact O-N 2.76Å |
| 74 | I | 57.8 | Low | 60.4 | Low | 116 Ų | 116 | 128 Ų | 128 | 60% | 0.595 | 66% | 0.663 | S | S | * | * | | | trans | -70 | 96 | -179.7 | -127.5 | 71.5 | 0 | 0 | 0 | 104.1 | K72 R76 | K72-I74 PolarHBondContact O-N 3.01Å; I74-R76 HydrophobicContact CG2-CG 4.11Å; I74-R76 PolarHBondContact O-N 2.94Å |
| 75 | R | 60.3 | Low | 60.2 | Low | 153 Ų | 153 | 123.2 Ų | 123.2 | 58% | 0.577 | 65% | 0.65 | S | S | * | * | | | trans | -59.5 | 106.1 | 176.5 | -61.1 | 179.4 | 81.3 | -162.9 | 5.5 | 104 | H73 T77 D82 | H73-R75 PolarHBondContact O-N 2.76Å; R75-T77 HydrophobicContact CB-CG2 4.02Å; R75-T77 PolarHBondContact O-N 3.2Å; R75-D82 IonicContact CZ-OD2 2.71Å; R75-D82 VanDerWaalsContact NE-CG 3.28Å; R75-D82 IonicContact NE-OD1 2.71Å; R75-D82 IonicContact NE-OD2 3.14Å; R75-D82 PolarHBondContact NE-OD2 3.43Å; R75-D82 IonicContact NH2-OD2 3.89Å; R75-D82 PolarHBondContact NH2-OD2 2.9Å |
| 76 | R | 61.9 | Low | 59.9 | Low | 189 Ų | 189 | 128 Ų | 128 | 71% | 0.713 | 66% | 0.663 | S | S | * | * | | | trans | -75.5 | 72.5 | -178.9 | -81.3 | 178.3 | 168.3 | 171.4 | -5.7 | 107.2 | I74 V78 T83 | I74-R76 HydrophobicContact CG2-CG 4.11Å; I74-R76 PolarHBondContact O-N 2.94Å; R76-V78 PolarHBondContact O-N 3.1Å; R76-T83 WeakPolarHBondContact CB-OG1 3.41Å; R76-T83 PolarHBondContact O-OG1 3.35Å |
| 77 | T | 63 | Low | 59.2 | Low | 74 Ų | 74 | 135.3 Ų | 135.3 | 45% | 0.454 | 68% | 0.682 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.8 | 101.7 | -179.4 | 49.2 | 0 | 0 | 0 | 0 | 109.1 | R75 L81 D82 | R75-T77 HydrophobicContact CB-CG2 4.02Å; R75-T77 PolarHBondContact O-N 3.2Å; T77-L81 WeakPolarHBondContact CA-O 3.35Å; T77-D82 HydrophobicContact CG2-CB 4.36Å |
| 78 | V | 59.2 | Low | 58.3 | Low | 102 Ų | 102 | 137.3 Ų | 137.3 | 62% | 0.618 | 69% | 0.685 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90.1 | 125 | 163.4 | -174.8 | 0 | 0 | 0 | 0 | 106.1 | R76 G80 L81 | R76-V78 PolarHBondContact O-N 3.1Å; V78-G80 PolarHBondContact O-N 3.22Å; V78-G80 VanDerWaalsContact O-N 3.15Å; V78-L81 PolarHBondContact O-N 3.22Å |
| 79 | N | 55.4 | Low | 57.3 | Low | 169 Ų | 169 | 135.5 Ų | 135.5 | 90% | 0.904 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 50.3 | 38.6 | -177.5 | -57.3 | -9 | 0 | 0 | 0 | 113.8 | L81 | N79-L81 VanDerWaalsContact C-N 3.25Å; N79-L81 PolarHBondContact O-N 2.96Å |
| 80 | G | 63.3 | Low | 56.9 | Low | 66 Ų | 66 | 136.1 Ų | 136.1 | 68% | 0.68 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.3 | -10.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116 | V78 | V78-G80 PolarHBondContact O-N 3.22Å; V78-G80 VanDerWaalsContact O-N 3.15Å |
| 81 | L | 56.3 | Low | 56 | Low | 139 Ų | 139 | 137 Ų | 137 | 73% | 0.728 | 68% | 0.679 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -85.9 | 121.8 | -178.2 | -153.4 | 76.8 | 0 | 0 | 0 | 111.5 | T77 V78 N79 T83 | T77-L81 WeakPolarHBondContact CA-O 3.35Å; V78-L81 PolarHBondContact O-N 3.22Å; N79-L81 VanDerWaalsContact C-N 3.25Å; N79-L81 PolarHBondContact O-N 2.96Å; L81-T83 PolarHBondContact O-N 3.35Å |
| 82 | D | 59.9 | Low | 55.2 | Low | 40 Ų | 40 | 132.3 Ų | 132.3 | 21% | 0.214 | 68% | 0.675 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.5 | 112.1 | -177 | 177.1 | 18 | 0 | 0 | 0 | 112.6 | R75 T77 S84 | R75-D82 IonicContact CZ-OD2 2.71Å; R75-D82 VanDerWaalsContact NE-CG 3.28Å; R75-D82 IonicContact NE-OD1 2.71Å; R75-D82 IonicContact NE-OD2 3.14Å; R75-D82 PolarHBondContact NE-OD2 3.43Å; R75-D82 IonicContact NH2-OD2 3.89Å; R75-D82 PolarHBondContact NH2-OD2 2.9Å; T77-D82 HydrophobicContact CG2-CB 4.36Å; D82-S84 VanDerWaalsContact CG-OG 3.22Å; D82-S84 PolarHBondContact O-N 2.9Å; D82-S84 WeakPolarHBondContact OD1-CB 3.36Å; D82-S84 PolarHBondContact OD1-N 3.15Å; D82-S84 PolarHBondContact OD1-OG 3.45Å; D82-S84 PolarHBondContact OD2-OG 2.8Å; D82-S84 VanDerWaalsContact OD2-OG 3.06Å |
| 83 | T | 61.1 | Low | 54.3 | Low | 96 Ų | 96 | 128.9 Ų | 128.9 | 59% | 0.589 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | 1.7 | 180 | 53.6 | 0 | 0 | 0 | 0 | 114.8 | R76 L81 | R76-T83 WeakPolarHBondContact CB-OG1 3.41Å; R76-T83 PolarHBondContact O-OG1 3.35Å; L81-T83 PolarHBondContact O-N 3.35Å |
| 84 | S | 58.1 | Low | 53.7 | Low | 75 Ų | 75 | 129.5 Ų | 129.5 | 52% | 0.524 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.9 | -4.3 | 176.2 | 68 | 0 | 0 | 0 | 0 | 115 | D82 | D82-S84 VanDerWaalsContact CG-OG 3.22Å; D82-S84 PolarHBondContact O-N 2.9Å; D82-S84 WeakPolarHBondContact OD1-CB 3.36Å; D82-S84 PolarHBondContact OD1-N 3.15Å; D82-S84 PolarHBondContact OD1-OG 3.45Å; D82-S84 PolarHBondContact OD2-OG 2.8Å; D82-S84 VanDerWaalsContact OD2-OG 3.06Å |
| 85 | G | 54.7 | Low | 53.1 | Low | 54 Ų | 54 | 127.7 Ų | 127.7 | 56% | 0.557 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -79.8 | 155.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 86 | Q | 51.9 | Low | 52.6 | Low | 185 Ų | 185 | 127.2 Ų | 127.2 | 86% | 0.864 | 69% | 0.694 | S | S | * | * | | | trans | -56.6 | 150.6 | 175.7 | -82.8 | -70.7 | 2.2 | 0 | 0 | 113 | Y88 | Q86-Y88 PolarHBondContact O-N 3.47Š|
| 87 | R | 48.1 | Very low | 51.8 | Low | 236 Ų | 236 | 124.1 Ų | 124.1 | 89% | 0.891 | 70% | 0.697 | S | S | * | * | | | trans | -67 | 94.7 | -179 | -73.5 | -158.3 | -74 | 175.3 | -5.9 | 111.9 | S89 | R87-S89 PolarHBondContact O-N 3.29Š|
| 88 | Y | 47 | Very low | 51.3 | Low | 234 Ų | 234 | 130.5 Ų | 130.5 | 92% | 0.918 | 72% | 0.718 | S | S | * | * | | | trans | -68.1 | 77.7 | 157 | -110.4 | -86.2 | 0 | 0 | 0 | 109.6 | Q86 | Q86-Y88 PolarHBondContact O-N 3.47Š|
| 89 | S | 43.5 | Very low | 50.7 | Low | 66 Ų | 66 | 131.9 Ų | 131.9 | 46% | 0.462 | 73% | 0.727 | S | S | . | * | | | trans | -67.1 | 130 | 164.2 | 170.4 | 0 | 0 | 0 | 0 | 108.7 | R87 Y91 | R87-S89 PolarHBondContact O-N 3.29Å; S89-Y91 PolarHBondContact O-N 3.17Å; S89-Y91 PolarHBondContact OG-N 2.89Å; S89-Y91 VanDerWaalsContact OG-N 3.11Å; S89-Y91 PolarHBondContact OG-O 2.85Å |
| 90 | P | 51 | Low | 50.5 | Low | 130 Ų | 130 | 127.5 Ų | 127.5 | 84% | 0.844 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -64.3 | -15.2 | 169.9 | -22.4 | 34.4 | 0 | 0 | 0 | 113.4 | | |
| 91 | Y | 41.5 | Very low | 49.8 | Very low | 192 Ų | 192 | 132.8 Ų | 132.8 | 75% | 0.753 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -94.3 | 132.1 | 174.8 | -88 | -98.8 | 0 | 0 | 0 | 111.6 | S89 | S89-Y91 PolarHBondContact O-N 3.17Å; S89-Y91 PolarHBondContact OG-N 2.89Å; S89-Y91 VanDerWaalsContact OG-N 3.11Å; S89-Y91 PolarHBondContact OG-O 2.85Å |
| 92 | P | 44.3 | Very low | 49.6 | Very low | 107 Ų | 107 | 134.3 Ų | 134.3 | 70% | 0.695 | 74% | 0.742 | S | S | * | * | | | trans | -65.7 | 137.2 | 172.6 | 29 | -34.3 | 0 | 0 | 0 | 110.4 | Q94 | P92-Q94 PolarHBondContact O-N 3.39Š|
| 93 | S | 43 | Very low | 49 | Very low | 116 Ų | 116 | 137.1 Ų | 137.1 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | | | trans | -68.3 | 103.6 | 170.4 | -65.4 | 0 | 0 | 0 | 0 | 109.9 | A95 | S93-A95 PolarHBondContact O-N 2.72Š|
| 94 | Q | 46.8 | Very low | 48.3 | Very low | 180 Ų | 180 | 140 Ų | 140 | 84% | 0.841 | 78% | 0.781 | S | S | * | * | | | trans | -63.8 | 86.5 | 165.3 | -73.1 | -76 | 13.7 | 0 | 0 | 109.1 | P92 | P92-Q94 PolarHBondContact O-N 3.39Š|
| 95 | A | 44.1 | Very low | 47.6 | Very low | 78 Ų | 78 | 143 Ų | 143 | 65% | 0.645 | 80% | 0.795 | S | S | * | * | | | trans | -64.8 | 144.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | S93 T97 | S93-A95 PolarHBondContact O-N 2.72Å; A95-T97 PolarHBondContact O-N 3.19Å |
| 96 | T | 49.9 | Very low | 46.9 | Very low | 143 Ų | 143 | 149.8 Ų | 149.8 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | | | trans | -68.9 | 103.6 | -170.4 | 179.3 | 0 | 0 | 0 | 0 | 112.9 | | |
| 97 | T | 45.3 | Very low | 46.3 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | | | trans | -133.3 | 126.3 | 161.3 | 52 | 0 | 0 | 0 | 0 | 111.2 | A95 T99 | A95-T97 PolarHBondContact O-N 3.19Å; T97-T99 PolarHBondContact O-N 3.24Å; T97-T99 VanDerWaalsContact O-N 3.09Å |
| 98 | K | 53.1 | Low | 46 | Very low | 207 Ų | 207 | 140.3 Ų | 140.3 | 90% | 0.9 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -84.3 | 74.1 | -168.1 | -177.6 | -163.4 | 171.8 | -176.9 | 0 | 112.4 | | |
| 99 | T | 47.6 | Very low | 45.7 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | trans | -166.1 | 124.2 | 159.4 | 32.1 | 0 | 0 | 0 | 0 | 109.8 | T97 | T97-T99 PolarHBondContact O-N 3.24Å; T97-T99 VanDerWaalsContact O-N 3.09Å |
| 100 | G | 50.4 | Low | 45.8 | Very low | 78 Ų | 78 | 141 Ų | 141 | 80% | 0.804 | 82% | 0.815 | S | S | * | * | | | trans | -87.8 | 135.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | | |
| 101 | L | 48 | Very low | 45.2 | Very low | 177 Ų | 177 | 138.1 Ų | 138.1 | 93% | 0.927 | 81% | 0.808 | S | S | * | * | | | trans | -139.3 | 141.3 | 161.4 | -76.3 | 179.4 | 0 | 0 | 0 | 109.8 | | |
| 102 | L | 51.5 | Low | 45.2 | Very low | 170 Ų | 170 | 137.2 Ų | 137.2 | 89% | 0.89 | 81% | 0.814 | S | S | * | * | | | trans | -78.1 | 127.4 | 177.2 | -68.3 | 162.9 | 0 | 0 | 0 | 110 | I104 | L102-I104 PolarHBondContact O-N 2.99Å; L102-I104 VanDerWaalsContact O-N 3.12Å |
| 103 | A | 47.9 | Very low | 45.2 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | | | trans | -75.6 | 99.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | V105 | A103-V105 PolarHBondContact O-N 2.99Š|
| 104 | I | 47.6 | Very low | 45 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | | | trans | -69.1 | 118.6 | 173.6 | -59.5 | 176 | 0 | 0 | 0 | 109 | L102 K106 | L102-I104 PolarHBondContact O-N 2.99Å; L102-I104 VanDerWaalsContact O-N 3.12Å; I104-K106 PolarHBondContact O-N 3.2Å; I104-K106 VanDerWaalsContact O-N 3.14Å |
| 105 | V | 41.5 | Very low | 44.7 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | | | trans | -68.3 | 109.6 | 175.7 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | A103 S107 | A103-V105 PolarHBondContact O-N 2.99Å; V105-S107 PolarHBondContact O-N 2.88Å |
| 106 | K | 40.2 | Very low | 44.9 | Very low | 198 Ų | 198 | 144.2 Ų | 144.2 | 86% | 0.861 | 82% | 0.815 | S | S | * | * | | | trans | -84.5 | 101.4 | 179 | -174.3 | 173.6 | -178.1 | 175 | 0 | 110.6 | I104 | I104-K106 PolarHBondContact O-N 3.2Å; I104-K106 VanDerWaalsContact O-N 3.14Å |
| 107 | S | 40.6 | Very low | 44.7 | Very low | 92 Ų | 92 | 144.6 Ų | 144.6 | 64% | 0.643 | 81% | 0.811 | S | S | * | * | | | trans | -73.1 | 144.5 | 173 | 52.9 | 0 | 0 | 0 | 0 | 112 | V105 A109 | V105-S107 PolarHBondContact O-N 2.88Å; S107-A109 PolarHBondContact O-N 2.94Å; S107-A109 VanDerWaalsContact O-N 3.15Å |
| 108 | P | 41 | Very low | 45.1 | Very low | 130 Ų | 130 | 142.3 Ų | 142.3 | 84% | 0.844 | 81% | 0.813 | S | S | * | * | | | trans | -86.8 | 78 | -178.8 | 34.3 | -34.9 | 0 | 0 | 0 | 111.7 | K110 | P108-K110 PolarHBondContact O-N 3.13Š|
| 109 | A | 40.5 | Very low | 44.6 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | | | trans | -72.3 | 90.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S107 | S107-A109 PolarHBondContact O-N 2.94Å; S107-A109 VanDerWaalsContact O-N 3.15Å |
| 110 | K | 46.2 | Very low | 44.1 | Very low | 218 Ų | 218 | 143.9 Ų | 143.9 | 95% | 0.948 | 81% | 0.812 | S | S | * | * | | | trans | -87.1 | 94.8 | 157 | -83 | -167.3 | 175.8 | -174.8 | 0 | 109.1 | P108 | P108-K110 PolarHBondContact O-N 3.13Š|
| 111 | G | 37.8 | Very low | 43.5 | Very low | 68 Ų | 68 | 145.9 Ų | 145.9 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | | | trans | -154.4 | 102.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | I113 | G111-I113 PolarHBondContact O-N 3.5Š|
| 112 | I | 41.8 | Very low | 43.1 | Very low | 173 Ų | 173 | 147.8 Ų | 147.8 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | | | trans | -87.1 | 102 | 172.6 | -63.8 | 173.5 | 0 | 0 | 0 | 107.1 | | |
| 113 | I | 44.3 | Very low | 42.5 | Very low | 147 Ų | 147 | 147.4 Ų | 147.4 | 75% | 0.754 | 80% | 0.801 | S | S | * | * | | | trans | -120.1 | 145.6 | 160.1 | -66.4 | -178.2 | 0 | 0 | 0 | 106.8 | G111 | G111-I113 PolarHBondContact O-N 3.5Š|
| 114 | K | 38.2 | Very low | 42 | Very low | 164 Ų | 164 | 149.2 Ų | 149.2 | 71% | 0.713 | 80% | 0.797 | S | S | * | * | | | trans | -114.4 | 92 | -163.7 | 176.7 | -165.3 | 167.1 | -172.5 | 0 | 109.2 | F116 | K114-F116 VanDerWaalsContact CE-CD2 3.49Å; K114-F116 HydrophobicContact CG-CD2 4.45Å |
| 115 | D | 41.2 | Very low | 41.7 | Very low | 143 Ų | 143 | 148.1 Ų | 148.1 | 77% | 0.765 | 80% | 0.8 | S | S | * | * | | | trans | -85.4 | 137.6 | 174.6 | -52.7 | -37.8 | 0 | 0 | 0 | 109.4 | | |
| 116 | F | 47.7 | Very low | 41.2 | Very low | 175 Ų | 175 | 150.1 Ų | 150.1 | 77% | 0.768 | 80% | 0.8 | S | S | * | * | | | trans | -125.9 | 31.1 | -163 | -145.4 | -96.2 | 0 | 0 | 0 | 114 | K114 | K114-F116 VanDerWaalsContact CE-CD2 3.49Å; K114-F116 HydrophobicContact CG-CD2 4.45Å |
| 117 | D | 47.1 | Very low | 41.1 | Very low | 151 Ų | 151 | 145.4 Ų | 145.4 | 81% | 0.807 | 80% | 0.798 | S | S | * | * | | | trans | -142.4 | 139.8 | 165.4 | -149.1 | -34.6 | 0 | 0 | 0 | 111.4 | | |
| 118 | G | 52.8 | Low | 40.9 | Very low | 77 Ų | 77 | 149.7 Ų | 149.7 | 79% | 0.794 | 81% | 0.81 | S | S | * | * | | | trans | -109.5 | 70.2 | -160.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 119 | T | 42.8 | Very low | 40.6 | Very low | 122 Ų | 122 | 152.4 Ų | 152.4 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | | | trans | -119.7 | 138.3 | 176.1 | -59.7 | 0 | 0 | 0 | 0 | 112.4 | | |
| 120 | R | 37.5 | Very low | 40.5 | Very low | 248 Ų | 248 | 154.8 Ų | 154.8 | 94% | 0.936 | 81% | 0.813 | S | S | * | * | | | trans | -119.6 | 100.1 | -166.2 | -174.8 | -164.4 | -166 | -151.6 | 9.9 | 112.2 | | |
| 121 | T | 36.8 | Very low | 41.2 | Very low | 120 Ų | 120 | 149.6 Ų | 149.6 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | | | trans | -121.1 | 130.2 | 177.7 | -47.3 | 0 | 0 | 0 | 0 | 111.6 | | |
| 122 | R | 40.4 | Very low | 41.7 | Very low | 217 Ų | 217 | 151.4 Ų | 151.4 | 82% | 0.819 | 80% | 0.801 | S | S | * | * | | | trans | -76.7 | 136.9 | 171.4 | -104.9 | 177.3 | 165 | -100 | 6.2 | 109.6 | | |
| 123 | L | 39.2 | Very low | 41.3 | Very low | 162 Ų | 162 | 147.8 Ų | 147.8 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | | | trans | -126.2 | 133.1 | 159.5 | -68.3 | 175.2 | 0 | 0 | 0 | 109.3 | | |
| 124 | L | 36.8 | Very low | 41.1 | Very low | 139 Ų | 139 | 147 Ų | 147 | 73% | 0.728 | 79% | 0.793 | S | S | * | * | | | trans | -86.5 | 139 | 163.1 | -85.8 | 76.8 | 0 | 0 | 0 | 108.3 | E126 | L124-E126 PolarHBondContact O-N 3.44Š|
| 125 | P | 40.9 | Very low | 41.6 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -76.1 | 111.1 | 155.9 | -13.2 | 30.2 | 0 | 0 | 0 | 109.1 | | |
| 126 | E | 31.6 | Very low | 41.1 | Very low | 179 Ų | 179 | 148.2 Ų | 148.2 | 84% | 0.836 | 80% | 0.799 | S | S | * | * | | | trans | -80.7 | 151.1 | 169.1 | -165.2 | 169 | 129.6 | 0 | 0 | 110.2 | L124 | L124-E126 PolarHBondContact O-N 3.44Š|
| 127 | A | 38.9 | Very low | 40.5 | Very low | 98 Ų | 98 | 145 Ų | 145 | 81% | 0.81 | 79% | 0.793 | S | S | * | * | | | trans | -97 | 126.8 | -176 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 128 | M | 35.6 | Very low | 39.9 | Very low | 183 Ų | 183 | 141.7 Ų | 141.7 | 90% | 0.901 | 79% | 0.786 | S | S | * | * | | | trans | -132.7 | 156.9 | 174.8 | -66 | -163.7 | 78.2 | 0 | 0 | 112.9 | | |
| 129 | M | 34.5 | Very low | 39.4 | Very low | 186 Ų | 186 | 144.1 Ų | 144.1 | 92% | 0.916 | 79% | 0.788 | S | S | * | * | | | trans | -98.3 | 158.6 | -164.1 | -160.6 | 81.8 | 86 | 0 | 0 | 113.5 | | |
| 130 | N | 38.4 | Very low | 39 | Very low | 147 Ų | 147 | 143.7 Ų | 143.7 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | | | trans | -74.9 | 176.2 | 168.8 | -108.6 | -95 | 0 | 0 | 0 | 113.3 | | |
| 131 | P | 61.7 | Low | 38.9 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | | | cis | -116.5 | -108.8 | -1.5 | 33.1 | -10.3 | 0 | 0 | 0 | 112.8 | | |
| 132 | P | 47.6 | Very low | 38.6 | Very low | 106 Ų | 106 | 141 Ų | 141 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | | | cis | -129.6 | 136.5 | -0.8 | 39.3 | -19.2 | 0 | 0 | 0 | 118.5 | | |
| 133 | S | 32.9 | Very low | 38.2 | Very low | 97 Ų | 97 | 136.6 Ų | 136.6 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | | | trans | 41 | 122.8 | 143.6 | 58.4 | 0 | 0 | 0 | 0 | 125.6 | | |
| 134 | T | 40.3 | Very low | 38 | Very low | 131 Ų | 131 | 137.8 Ų | 137.8 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | | | trans | 74.7 | 158.6 | 138 | 58.5 | 0 | 0 | 0 | 0 | 121.8 | | |
| 135 | P | 48.9 | Very low | 38.7 | Very low | 112 Ų | 112 | 136.4 Ų | 136.4 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | cis | -139.5 | -171.6 | -38.4 | 39.8 | -22.5 | 0 | 0 | 0 | 114.7 | | |
| 136 | Y | 31.2 | Very low | 38.3 | Very low | 221 Ų | 221 | 139.6 Ų | 139.6 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | | | trans | 72.5 | 146.6 | 166.8 | -118.1 | -131.7 | 0 | 0 | 0 | 116.4 | | |
| 137 | V | 34.3 | Very low | 38.5 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 66% | 0.655 | 79% | 0.792 | S | S | * | * | | | cis | -153.2 | 168.6 | -13.6 | 87.2 | 0 | 0 | 0 | 0 | 110.1 | | |
| 138 | A | 34.3 | Very low | 38.3 | Very low | 80 Ų | 80 | 139.4 Ų | 139.4 | 66% | 0.661 | 80% | 0.799 | S | S | * | * | | | trans | -107.4 | 160.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | | |
| 139 | P | 43.8 | Very low | 38.5 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | | | trans | -128.2 | 146.7 | 138.9 | 36.7 | -28.1 | 0 | 0 | 0 | 113 | | |
| 140 | S | 33.8 | Very low | 38.6 | Very low | 113 Ų | 113 | 137.2 Ų | 137.2 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | | | trans | -101.1 | 147.2 | 175.5 | -52.6 | 0 | 0 | 0 | 0 | 111.3 | | |
| 141 | T | 34.6 | Very low | 38.5 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 95% | 0.945 | 79% | 0.791 | S | S | * | * | | | trans | -133.5 | 157.6 | 157.6 | 47.8 | 0 | 0 | 0 | 0 | 111.6 | | |
| 142 | L | 32 | Very low | 37.4 | Very low | 157 Ų | 157 | 142 Ų | 142 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | | | trans | -108.7 | 145.8 | -162.6 | -176.8 | 77.8 | 0 | 0 | 0 | 110.7 | | |
| 143 | T | 30.4 | Very low | 36.6 | Very low | 125 Ų | 125 | 140.9 Ų | 140.9 | 77% | 0.767 | 80% | 0.801 | S | S | * | * | | | trans | 169.4 | 161.4 | 132.6 | 33.9 | 0 | 0 | 0 | 0 | 114.5 | | |
| 144 | H | 34.9 | Very low | 36.8 | Very low | 187 Ų | 187 | 144.7 Ų | 144.7 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | | | trans | -162.1 | 171.3 | 172.7 | -98.2 | 61.3 | 0 | 0 | 0 | 105.6 | | |
| 145 | P | 51.4 | Low | 36.7 | Very low | 110 Ų | 110 | 145.8 Ų | 145.8 | 71% | 0.714 | 81% | 0.809 | S | S | * | * | | | cis | -128.5 | -177.6 | -25.4 | 40.2 | -26.3 | 0 | 0 | 0 | 111.5 | | |
| 146 | Q | 32.5 | Very low | 35.9 | Very low | 200 Ų | 200 | 149 Ų | 149 | 94% | 0.935 | 81% | 0.814 | S | S | * | * | | | trans | -163.8 | 155.5 | 148.7 | -118.1 | 166.2 | -0.2 | 0 | 0 | 113.2 | | |
| 147 | A | 37.4 | Very low | 36.1 | Very low | 92 Ų | 92 | 143.6 Ų | 143.6 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | | | trans | -148.4 | 120.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 148 | L | 35 | Very low | 36.2 | Very low | 181 Ų | 181 | 146.4 Ų | 146.4 | 95% | 0.948 | 82% | 0.821 | S | S | * | * | | | trans | -169 | 95.6 | 166.3 | -114.8 | 161 | 0 | 0 | 0 | 111.1 | | |
| 149 | A | 38.6 | Very low | 36.1 | Very low | 107 Ų | 107 | 149.4 Ų | 149.4 | 88% | 0.884 | 83% | 0.831 | S | S | * | * | | | trans | -155.3 | 70.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 150 | R | 36.6 | Very low | 35.5 | Very low | 216 Ų | 216 | 148.9 Ų | 148.9 | 82% | 0.815 | 82% | 0.821 | S | S | * | * | | | trans | -111.1 | 162.4 | 163.4 | -112.3 | -169.2 | 80.2 | 162.9 | 5.2 | 108.9 | | |
| 151 | Q | 36 | Very low | 35.4 | Very low | 157 Ų | 157 | 152 Ų | 152 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | | | trans | 83 | 96.6 | 175 | -47.3 | -70.4 | 21.9 | 0 | 0 | 116.4 | | |
| 152 | Q | 39 | Very low | 35.4 | Very low | 199 Ų | 199 | 152.1 Ų | 152.1 | 93% | 0.93 | 81% | 0.812 | S | S | * | * | | | | -163.8 | 154.8 | 123.4 | -105.6 | 172.9 | 7.5 | 0 | 0 | 110.4 | | |
| 153 | A | 30.1 | Very low | 36 | Very low | 83 Ų | 83 | 150.3 Ų | 150.3 | 69% | 0.686 | 81% | 0.81 | S | S | * | * | | | trans | -3.4 | 136.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | Q155 | A153-Q155 HydrophobicContact CB-CG 4.5Š|
| 154 | L | 38.4 | Very low | 36.2 | Very low | 177 Ų | 177 | 152.5 Ų | 152.5 | 93% | 0.927 | 81% | 0.811 | S | S | * | * | | | cis | 53.5 | 74.6 | 16.3 | -80.1 | 178.9 | 0 | 0 | 0 | 115.9 | | |
| 155 | Q | 36.9 | Very low | 35.9 | Very low | 154 Ų | 154 | 148.4 Ų | 148.4 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | | | trans | -146 | 158.3 | 152.9 | -82.3 | -61.5 | 1.5 | 0 | 0 | 111 | A153 | A153-Q155 HydrophobicContact CB-CG 4.5Š|
| 156 | H | 31.9 | Very low | 35.4 | Very low | 178 Ų | 178 | 150.6 Ų | 150.6 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | | | trans | 61.5 | 75.9 | 168.5 | -53.4 | -60.3 | 0 | 0 | 0 | 119 | | |
| 157 | A | 35.8 | Very low | 36 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 89% | 0.893 | 80% | 0.797 | S | S | * | * | | | trans | -139 | 66.1 | 151 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 158 | Q | 36.8 | Very low | 36.1 | Very low | 167 Ų | 167 | 149.8 Ų | 149.8 | 78% | 0.78 | 80% | 0.798 | S | S | * | * | | | trans | -111.4 | 126.7 | 170.8 | -93.5 | -152.2 | 55.7 | 0 | 0 | 111 | | |
| 159 | T | 32.4 | Very low | 36.4 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 88% | 0.877 | 79% | 0.792 | S | S | * | * | | | | -165.5 | 138.8 | 119.8 | 14 | 0 | 0 | 0 | 0 | 109.3 | | |
| 160 | L | 32.1 | Very low | 36.2 | Very low | 118 Ų | 118 | 149.8 Ų | 149.8 | 62% | 0.618 | 79% | 0.786 | S | S | * | * | | | trans | -77.7 | 155.7 | 179.1 | -74.3 | 65.7 | 0 | 0 | 0 | 110.8 | | |
| 161 | Q | 30.3 | Very low | 36.5 | Very low | 180 Ų | 180 | 146 Ų | 146 | 84% | 0.841 | 79% | 0.787 | S | S | * | * | | | | -149.9 | 144.2 | 121.5 | -80.1 | -44.1 | -58.3 | 0 | 0 | 110.6 | | |
| 162 | H | 34.8 | Very low | 36.5 | Very low | 155 Ų | 155 | 146.5 Ų | 146.5 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | | | trans | -102.2 | 151.6 | 163.1 | -79.4 | -86.2 | 0 | 0 | 0 | 109 | | |
| 163 | P | 44.2 | Very low | 36.4 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | | | | -120.3 | 148.3 | 101.4 | -3.6 | 24.2 | 0 | 0 | 0 | 111.7 | | |
| 164 | Q | 34.2 | Very low | 36.9 | Very low | 171 Ų | 171 | 149 Ų | 149 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | | | cis | 81.7 | 131.4 | 48.9 | -92.3 | -83.4 | 7.4 | 0 | 0 | 115.1 | | |
| 165 | S | 30.1 | Very low | 37.3 | Very low | 101 Ų | 101 | 146.4 Ų | 146.4 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | | | trans | 67.9 | 125.7 | 167.9 | -153.7 | 0 | 0 | 0 | 0 | 121.2 | | |
| 166 | I | 39.5 | Very low | 37.6 | Very low | 156 Ų | 156 | 148.1 Ų | 148.1 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -98 | 131 | 163 | -63.3 | 166.2 | 0 | 0 | 0 | 108.4 | | |
| 167 | P | 46.6 | Very low | 37.9 | Very low | 110 Ų | 110 | 143.3 Ų | 143.3 | 71% | 0.714 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 129.1 | 159.2 | -1.7 | 21.7 | 0 | 0 | 0 | 111.1 | | |
| 168 | Q | 38.8 | Very low | 38.1 | Very low | 165 Ų | 165 | 146 Ų | 146 | 77% | 0.771 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 139.8 | 159 | -71.2 | -178.3 | -9.8 | 0 | 0 | 110 | | |
| 169 | P | 40.4 | Very low | 38.6 | Very low | 128 Ų | 128 | 143.2 Ų | 143.2 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -79 | 124 | 147.8 | -9.7 | 27.7 | 0 | 0 | 0 | 109 | | |
| 170 | Q | 35.1 | Very low | 39.1 | Very low | 161 Ų | 161 | 145 Ų | 145 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -76 | 167.1 | 173.3 | -71.8 | 179 | -20.4 | 0 | 0 | 112.1 | L172 | Q170-L172 PolarHBondContact O-N 3.22Š|
| 171 | T | 42.4 | Very low | 39.8 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 84% | 0.84 | 79% | 0.791 | S | S | * | * | | | trans | -43.9 | 122 | 173.2 | 49.1 | 0 | 0 | 0 | 0 | 113.8 | | |
| 172 | L | 36.4 | Very low | 40.3 | Very low | 166 Ų | 166 | 145 Ų | 145 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | | | trans | -119.5 | 98.2 | 167.9 | -98.4 | 168.2 | 0 | 0 | 0 | 111.3 | Q170 | Q170-L172 PolarHBondContact O-N 3.22Š|
| 173 | Q | 38 | Very low | 40.4 | Very low | 162 Ų | 162 | 143.1 Ų | 143.1 | 76% | 0.757 | 80% | 0.795 | S | S | * | * | | | trans | 21.1 | 136.2 | 152 | -58.6 | -60.4 | -14.2 | 0 | 0 | 121 | | |
| 174 | H | 40.6 | Very low | 40.2 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 81% | 0.806 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 131.5 | 163.2 | -74 | -109.6 | 0 | 0 | 0 | 111.8 | | |
| 175 | P | 46.8 | Very low | 40.8 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64 | 129.4 | 150.3 | -15.8 | 31.1 | 0 | 0 | 0 | 109.1 | | |
| 176 | Q | 42.2 | Very low | 41.4 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 88% | 0.883 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 164.4 | 168.8 | -73.1 | -171.4 | -8.1 | 0 | 0 | 111.1 | | |
| 177 | G | 39.3 | Very low | 41.7 | Very low | 77 Ų | 77 | 144.4 Ų | 144.4 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 146.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | | |
| 178 | I | 38.3 | Very low | 41.4 | Very low | 164 Ų | 164 | 148.1 Ų | 148.1 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 133.5 | 165.5 | -61.7 | 177.1 | 0 | 0 | 0 | 107.5 | | |
| 179 | P | 48.2 | Very low | 41.4 | Very low | 110 Ų | 110 | 144 Ų | 144 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 158.6 | -174.5 | 27.2 | -35.9 | 0 | 0 | 0 | 113 | | |
| 180 | Q | 43.5 | Very low | 41.5 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 85% | 0.846 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 140.6 | 174 | -66.9 | -168 | 9.7 | 0 | 0 | 111.3 | Q182 | Q180-Q182 PolarHBondContact O-N 2.84Š|
| 181 | P | 47 | Very low | 42.1 | Very low | 119 Ų | 119 | 143.3 Ų | 143.3 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 134.3 | 161.2 | 29.3 | -32.9 | 0 | 0 | 0 | 109.1 | | |
| 182 | Q | 39.2 | Very low | 42 | Very low | 179 Ų | 179 | 145.2 Ų | 145.2 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 151 | -179.3 | -68.7 | 170.8 | -26.4 | 0 | 0 | 111.4 | Q180 L184 | Q180-Q182 PolarHBondContact O-N 2.84Å; Q182-L184 PolarHBondContact O-N 2.78Å |
| 183 | S | 37.2 | Very low | 42.5 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -58 | 123.5 | 175.2 | 53.3 | 0 | 0 | 0 | 0 | 111.2 | | |
| 184 | L | 40 | Very low | 42.5 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 81% | 0.806 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 137.5 | 165.6 | -83.7 | 70.8 | 0 | 0 | 0 | 109 | Q182 | Q182-L184 PolarHBondContact O-N 2.78Š|
| 185 | P | 47.6 | Very low | 42.3 | Very low | 117 Ų | 117 | 140.5 Ų | 140.5 | 76% | 0.76 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 142.3 | 179.1 | 27.6 | -34.5 | 0 | 0 | 0 | 110.8 | | |
| 186 | H | 42 | Very low | 42 | Very low | 178 Ų | 178 | 142.1 Ų | 142.1 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 128.7 | 175.9 | -56.9 | -79.6 | 0 | 0 | 0 | 110.6 | Q188 | H186-Q188 PolarHBondContact O-N 2.89Š|
| 187 | P | 47.1 | Very low | 42.2 | Very low | 125 Ų | 125 | 138.7 Ų | 138.7 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 132.9 | 161.4 | 28.1 | -32.2 | 0 | 0 | 0 | 108.5 | | |
| 188 | Q | 40.4 | Very low | 42.2 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 88% | 0.879 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 150.2 | -179.5 | -70.2 | 177.6 | -26 | 0 | 0 | 111.4 | H186 | H186-Q188 PolarHBondContact O-N 2.89Š|
| 189 | G | 36.7 | Very low | 42.6 | Very low | 79 Ų | 79 | 141.7 Ų | 141.7 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 134.2 | -177 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 190 | I | 43.1 | Very low | 42.1 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 130.6 | 167.8 | -57.2 | 176.4 | 0 | 0 | 0 | 107.4 | | |
| 191 | P | 48 | Very low | 41.7 | Very low | 113 Ų | 113 | 144.5 Ų | 144.5 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 157.8 | -175.4 | 27.6 | -35.4 | 0 | 0 | 0 | 113 | | |
| 192 | Q | 39.8 | Very low | 41.3 | Very low | 177 Ų | 177 | 146.9 Ų | 146.9 | 83% | 0.827 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 136.1 | 175.8 | -66.7 | -179.7 | -6.7 | 0 | 0 | 111.7 | | |
| 193 | P | 46.8 | Very low | 41.3 | Very low | 123 Ų | 123 | 146.9 Ų | 146.9 | 80% | 0.799 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -67 | 135.1 | 153.8 | 30.5 | -31.8 | 0 | 0 | 0 | 109 | | |
| 194 | Q | 39.8 | Very low | 41.2 | Very low | 177 Ų | 177 | 148.8 Ų | 148.8 | 83% | 0.827 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 150.7 | -174.6 | -67.5 | 144 | -30.8 | 0 | 0 | 111.9 | L196 | Q194-L196 PolarHBondContact O-N 3.44Š|
| 195 | A | 35.9 | Very low | 41.5 | Very low | 102 Ų | 102 | 147.4 Ų | 147.4 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -67 | 129.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 196 | L | 40 | Very low | 40.9 | Very low | 156 Ų | 156 | 150 Ų | 150 | 82% | 0.817 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 143.3 | 166 | -88.3 | 70.3 | 0 | 0 | 0 | 110 | Q194 | Q194-L196 PolarHBondContact O-N 3.44Š|
| 197 | P | 46.6 | Very low | 40.4 | Very low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 160.8 | -177.3 | 30.9 | -35.9 | 0 | 0 | 0 | 112.9 | | |
| 198 | H | 38.4 | Very low | 39.8 | Very low | 178 Ų | 178 | 147.1 Ų | 147.1 | 82% | 0.824 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 138.9 | 177.9 | -61.8 | 31.2 | 0 | 0 | 0 | 111 | | |
| 199 | P | 47.4 | Very low | 39.4 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 140.7 | 161.6 | 30 | -32.9 | 0 | 0 | 0 | 109.9 | | |
| 200 | Q | 38.4 | Very low | 39.3 | Very low | 188 Ų | 188 | 150.2 Ų | 150.2 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 153.5 | -175.6 | -74.1 | 179.3 | -20.4 | 0 | 0 | 113.2 | | |
| 201 | N | 34.4 | Very low | 39.4 | Very low | 161 Ų | 161 | 148.2 Ų | 148.2 | 86% | 0.861 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66 | 132 | 170.9 | -167.1 | -17 | 0 | 0 | 0 | 110 | | |
| 202 | M | 37.9 | Very low | 38.8 | Very low | 169 Ų | 169 | 150.4 Ų | 150.4 | 83% | 0.833 | 81% | 0.809 | S | S | * | * | | | trans | -130.6 | 148.5 | 177.7 | -159.6 | 175.4 | -70.1 | 0 | 0 | 110.3 | | |
| 203 | Q | 39.3 | Very low | 38.3 | Very low | 180 Ų | 180 | 147.8 Ų | 147.8 | 84% | 0.841 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -89.4 | 166.5 | -145.6 | -64.2 | 158 | -72.3 | 0 | 0 | 115.5 | | |
| 204 | Q | 36.1 | Very low | 37.7 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 72% | 0.715 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 152.6 | 165.4 | -61.5 | 179.7 | 0.5 | 0 | 0 | 112 | | |
| 205 | P | 45.5 | Very low | 37.3 | Very low | 126 Ų | 126 | 144.8 Ų | 144.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 135.7 | 138.2 | 33.2 | -27.1 | 0 | 0 | 0 | 110.7 | | |
| 206 | Q | 36.1 | Very low | 37.1 | Very low | 171 Ų | 171 | 148.1 Ų | 148.1 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 142.4 | 170.8 | -69.3 | -178.3 | -13.2 | 0 | 0 | 111.2 | | |
| 207 | G | 29.7 | Very low | 36.7 | Very low | 74 Ų | 74 | 148.6 Ų | 148.6 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | | | trans | 68.5 | 114.6 | 143.1 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 208 | L | 35.6 | Very low | 36 | Very low | 168 Ų | 168 | 147.6 Ų | 147.6 | 88% | 0.88 | 78% | 0.782 | S | S | * | * | | | trans | -159.5 | 87.6 | 147.8 | -99.8 | 167.9 | 0 | 0 | 0 | 105.9 | | |
| 209 | Q | 32 | Very low | 35.7 | Very low | 174 Ų | 174 | 146 Ų | 146 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | | | | 77.9 | 131.7 | 96.9 | -75 | -67.4 | 6.2 | 0 | 0 | 115.2 | | |
| 210 | H | 34.3 | Very low | 35 | Very low | 158 Ų | 158 | 148.3 Ų | 148.3 | 73% | 0.731 | 78% | 0.778 | S | S | * | * | | | trans | -73 | 166.2 | 177.1 | -91.3 | -86.1 | 0 | 0 | 0 | 112.2 | | |
| 211 | P | 44.9 | Very low | 34.9 | Very low | 121 Ų | 121 | 148.2 Ų | 148.2 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | | | | -124.1 | 160.3 | 110.8 | 35.4 | -32.7 | 0 | 0 | 0 | 114.2 | | |
| 212 | Q | 36 | Very low | 35.5 | Very low | 159 Ų | 159 | 146.4 Ų | 146.4 | 74% | 0.743 | 78% | 0.775 | S | S | * | * | | | trans | -115.8 | -167.1 | 162.1 | -74.9 | -168.6 | -17.2 | 0 | 0 | 108.9 | | |
| 213 | T | 30 | Very low | 36 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | 84.2 | 140.3 | -177.8 | 76.6 | 0 | 0 | 0 | 0 | 114.3 | | |
| 214 | M | 32.7 | Very low | 35.7 | Very low | 167 Ų | 167 | 142.9 Ų | 142.9 | 82% | 0.823 | 77% | 0.771 | S | S | * | * | | | cis | -155.9 | 152.5 | -3.2 | -130.4 | -179.3 | -107.9 | 0 | 0 | 114.3 | | |
| 215 | A | 32.6 | Very low | 36.4 | Very low | 70 Ų | 70 | 140.7 Ų | 140.7 | 58% | 0.579 | 77% | 0.771 | S | S | * | * | | | trans | 66.4 | 115.3 | 139.4 | 0 | 0 | 0 | 0 | 0 | 124 | | |
| 216 | H | 31.3 | Very low | 35.9 | Very low | 172 Ų | 172 | 142.1 Ų | 142.1 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | | | | 49.9 | 139.9 | 123.2 | -51.3 | 115.2 | 0 | 0 | 0 | 124.1 | | |
| 217 | Q | 32.2 | Very low | 35.8 | Very low | 166 Ų | 166 | 141.8 Ų | 141.8 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | 161.4 | 98.5 | 132.2 | -85 | -64.1 | 95.7 | 0 | 0 | 107.5 | | |
| 218 | T | 31.9 | Very low | 36 | Very low | 96 Ų | 96 | 146.9 Ų | 146.9 | 59% | 0.589 | 78% | 0.777 | S | S | * | * | | | | 60.5 | 110.2 | 75.2 | 69.8 | 0 | 0 | 0 | 0 | 116.8 | | |
| 219 | L | 32.6 | Very low | 36.4 | Very low | 144 Ų | 144 | 144.8 Ų | 144.8 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | | | trans | -179.1 | 111.1 | 134.4 | -117.4 | 68.6 | 0 | 0 | 0 | 109.2 | | |
| 220 | Q | 31.4 | Very low | 36.3 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | | | | 75.7 | 113.3 | 97.3 | -70 | -165.2 | 87.3 | 0 | 0 | 117.4 | | |
| 221 | H | 35.9 | Very low | 36.4 | Very low | 185 Ų | 185 | 139.5 Ų | 139.5 | 86% | 0.856 | 77% | 0.772 | S | S | * | * | | | trans | -91.4 | 161 | 156.5 | -56.5 | 125.8 | 0 | 0 | 0 | 110 | | |
| 222 | P | 46.9 | Very low | 35.7 | Very low | 124 Ų | 124 | 142.3 Ų | 142.3 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | | | | -148 | -155.6 | 97.3 | 39.6 | -18.6 | 0 | 0 | 0 | 113 | | |
| 223 | P | 48.4 | Very low | 35.5 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | | | | -127.5 | 177.6 | -89.7 | 40.9 | -24.1 | 0 | 0 | 0 | 117.2 | | |
| 224 | N | 33.4 | Very low | 35.7 | Very low | 154 Ų | 154 | 138.1 Ų | 138.1 | 82% | 0.824 | 78% | 0.78 | S | S | * | * | | | trans | -43.5 | 169.6 | 169.3 | -81.2 | -11 | 0 | 0 | 0 | 117.2 | | |
| 225 | P | 51.7 | Low | 35.7 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | cis | -147.4 | 178.2 | 26.9 | 43.5 | -23.2 | 0 | 0 | 0 | 120.3 | | |
| 226 | L | 34 | Very low | 35.7 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 81% | 0.812 | 80% | 0.796 | S | S | * | * | | | trans | 61.8 | 112.6 | 148.1 | -78.1 | 164 | 0 | 0 | 0 | 121.8 | | |
| 227 | L | 35.1 | Very low | 35.8 | Very low | 164 Ų | 164 | 148 Ų | 148 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | | | | 173.7 | 155.8 | 109.4 | -91.7 | 167.5 | 0 | 0 | 0 | 112.9 | | |
| 228 | Q | 34.2 | Very low | 36.4 | Very low | 181 Ų | 181 | 145.5 Ų | 145.5 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | | | trans | -119.4 | 173.6 | 164.5 | -62.3 | -176.2 | 17.7 | 0 | 0 | 107.9 | | |
| 229 | P | 43.8 | Very low | 36.4 | Very low | 125 Ų | 125 | 148.8 Ų | 148.8 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | | | cis | -133 | 175.2 | -0.3 | 41.4 | -26 | 0 | 0 | 0 | 115.4 | | |
| 230 | G | 29.8 | Very low | 36.5 | Very low | 68 Ų | 68 | 146 Ų | 146 | 70% | 0.701 | 81% | 0.811 | S | S | * | * | | | trans | 123.7 | 139.7 | 137.6 | 0 | 0 | 0 | 0 | 0 | 120.3 | | |
| 231 | L | 34.6 | Very low | 36.6 | Very low | 152 Ų | 152 | 145.5 Ų | 145.5 | 80% | 0.796 | 81% | 0.814 | S | S | * | * | | | trans | 71.2 | 123.6 | 147.7 | -58.1 | -178.2 | 0 | 0 | 0 | 122.1 | | |
| 232 | H | 31.5 | Very low | 37 | Very low | 181 Ų | 181 | 140.9 Ų | 140.9 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | | | trans | 57.6 | 133.8 | 154.3 | -53 | -59.9 | 0 | 0 | 0 | 120.9 | | |
| 233 | G | 31.7 | Very low | 36.7 | Very low | 79 Ų | 79 | 141 Ų | 141 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | | | trans | 157.7 | 97.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | | |
| 234 | S | 34.5 | Very low | 36.5 | Very low | 113 Ų | 113 | 141 Ų | 141 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | | | trans | -70.2 | 134.5 | 177.1 | -46.8 | 0 | 0 | 0 | 0 | 114 | | |
| 235 | R | 32.8 | Very low | 36.9 | Very low | 234 Ų | 234 | 141.1 Ų | 141.1 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | | -177.5 | 135.2 | 118 | -105.6 | 169.6 | -78.7 | -150.6 | 2.2 | 116.3 | | |
| 236 | K | 31.8 | Very low | 36.2 | Very low | 198 Ų | 198 | 141.9 Ų | 141.9 | 86% | 0.861 | 81% | 0.812 | S | S | * | * | | | | 28.7 | 104.3 | 129.2 | -167.3 | -178.6 | -175.4 | -176.3 | 0 | 117.3 | | |
| 237 | M | 33.9 | Very low | 36.5 | Very low | 185 Ų | 185 | 141 Ų | 141 | 91% | 0.911 | 81% | 0.813 | S | S | * | * | | | trans | -89.4 | 139.1 | 166.7 | -165.1 | 166.4 | -169.7 | 0 | 0 | 110.8 | | |
| 238 | P | 45.1 | Very low | 36.6 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | | | trans | -100.9 | 138.1 | 167.9 | 35.6 | -28 | 0 | 0 | 0 | 111.4 | | |
| 239 | D | 30.3 | Very low | 36.5 | Very low | 165 Ų | 165 | 135.3 Ų | 135.3 | 88% | 0.882 | 80% | 0.802 | S | S | * | * | | | trans | -159.2 | 146.7 | 139.4 | -165.8 | -121.3 | 0 | 0 | 0 | 109.7 | | |
| 240 | A | 36.3 | Very low | 36.5 | Very low | 85 Ų | 85 | 134.3 Ų | 134.3 | 70% | 0.702 | 79% | 0.794 | S | S | * | * | | | trans | -168 | 106.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 241 | D | 33.2 | Very low | 36.9 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | | | trans | -163.5 | 102.5 | 140.4 | -115.9 | -39.7 | 0 | 0 | 0 | 111.7 | | |
| 242 | A | 43.4 | Very low | 37.4 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 72% | 0.719 | 79% | 0.793 | S | S | * | * | | | trans | -148.2 | 129.3 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 243 | P | 41.1 | Very low | 38 | Very low | 127 Ų | 127 | 132 Ų | 132 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | | | trans | -74.7 | 138.9 | -167.1 | 28.2 | -35.1 | 0 | 0 | 0 | 113 | N245 | P243-N245 PolarHBondContact O-N 3.29Š|
| 244 | P | 43.5 | Very low | 38.4 | Very low | 121 Ų | 121 | 133 Ų | 133 | 79% | 0.786 | 78% | 0.776 | S | S | * | * | | | trans | -80.9 | 119.5 | -176.7 | 31.2 | -34 | 0 | 0 | 0 | 112.2 | | |
| 245 | N | 42.7 | Very low | 39 | Very low | 156 Ų | 156 | 134.9 Ų | 134.9 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | | | trans | -152.7 | 153.9 | 156.3 | -110 | -59.1 | 0 | 0 | 0 | 110.8 | P243 | P243-N245 PolarHBondContact O-N 3.29Š|
| 246 | V | 36.8 | Very low | 39.6 | Very low | 123 Ų | 123 | 128.9 Ų | 128.9 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | | | trans | 65 | 67.8 | -176.2 | -161.6 | 0 | 0 | 0 | 0 | 114.7 | V248 | V246-V248 HydrophobicContact CG1-CG2 4.03Å; V246-V248 PolarHBondContact O-N 3.33Å |
| 247 | T | 40.1 | Very low | 40.4 | Very low | 137 Ų | 137 | 126.2 Ų | 126.2 | 84% | 0.84 | 76% | 0.763 | S | S | * | * | | | trans | -75 | 101.7 | 159.3 | -50.2 | 0 | 0 | 0 | 0 | 109.7 | S249 | T247-S249 PolarHBondContact O-N 3.33Š|
| 248 | V | 36.9 | Very low | 40.9 | Very low | 103 Ų | 103 | 121.4 Ų | 121.4 | 62% | 0.624 | 75% | 0.752 | S | S | * | * | | | trans | -71.9 | 123 | 173.3 | -174.6 | 0 | 0 | 0 | 0 | 109.4 | V246 T250 | V246-V248 HydrophobicContact CG1-CG2 4.03Å; V246-V248 PolarHBondContact O-N 3.33Å; V248-T250 HydrophobicContact CG1-CG2 4.12Å; V248-T250 PolarHBondContact O-N 3.17Å |
| 249 | S | 33.3 | Very low | 40.9 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | | | trans | -77 | 66.3 | 177 | -56.2 | 0 | 0 | 0 | 0 | 112.8 | T247 | T247-S249 PolarHBondContact O-N 3.33Š|
| 250 | T | 43.1 | Very low | 41.8 | Very low | 104 Ų | 104 | 118.6 Ų | 118.6 | 64% | 0.638 | 75% | 0.748 | S | S | * | * | | | trans | -77.8 | 118.2 | 163.3 | 50.9 | 0 | 0 | 0 | 0 | 109.6 | V248 T252 | V248-T250 HydrophobicContact CG1-CG2 4.12Å; V248-T250 PolarHBondContact O-N 3.17Å; T250-T252 VanDerWaalsContact C-N 3.27Å; T250-T252 PolarHBondContact O-N 3.3Å |
| 251 | S | 38.8 | Very low | 42 | Very low | 112 Ų | 112 | 122 Ų | 122 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | | | trans | -75.5 | 74.8 | 178.6 | 58.4 | 0 | 0 | 0 | 0 | 111.7 | I253 | S251-I253 PolarHBondContact O-N 2.93Š|
| 252 | T | 45.3 | Very low | 42.6 | Very low | 112 Ų | 112 | 122.7 Ų | 122.7 | 69% | 0.687 | 75% | 0.752 | S | S | * | * | | | trans | -71.1 | 95.9 | 178.2 | -55 | 0 | 0 | 0 | 0 | 110.7 | T250 | T250-T252 VanDerWaalsContact C-N 3.27Å; T250-T252 PolarHBondContact O-N 3.3Å |
| 253 | I | 42.6 | Very low | 42.4 | Very low | 129 Ų | 129 | 127.6 Ų | 127.6 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | | | trans | -58.6 | 131.4 | 163.3 | -59 | 170.8 | 0 | 0 | 0 | 107.4 | S251 L255 | S251-I253 PolarHBondContact O-N 2.93Å; I253-L255 PolarHBondContact O-N 2.74Å |
| 254 | P | 41.1 | Very low | 42.6 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 64% | 0.636 | 76% | 0.763 | S | S | * | * | | | trans | -62.6 | 123.2 | 179.7 | 24.3 | -33.2 | 0 | 0 | 0 | 110.9 | S256 | P254-S256 PolarHBondContact O-N 3.27Š|
| 255 | L | 48 | Very low | 42.8 | Very low | 153 Ų | 153 | 132.1 Ų | 132.1 | 80% | 0.801 | 77% | 0.765 | S | S | * | * | | | trans | -75.9 | 46.6 | -176.3 | -72.1 | 170.7 | 0 | 0 | 0 | 113.4 | I253 M257 | I253-L255 PolarHBondContact O-N 2.74Å; L255-M257 VanDerWaalsContact C-N 3.34Å |
| 256 | S | 44.3 | Very low | 43 | Very low | 108 Ų | 108 | 130.2 Ų | 130.2 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -2.3 | 177.2 | -54.3 | 0 | 0 | 0 | 0 | 113.9 | P254 | P254-S256 PolarHBondContact O-N 3.27Š|
| 257 | M | 48.3 | Very low | 43.9 | Very low | 143 Ų | 143 | 128.9 Ų | 128.9 | 70% | 0.704 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.1 | 7.8 | 178.5 | -64 | -168.2 | -67.6 | 0 | 0 | 114 | L255 A259 | L255-M257 VanDerWaalsContact C-N 3.34Å; M257-A259 VanDerWaalsContact C-N 3.26Å; M257-A259 PolarHBondContact O-N 2.71Å |
| 258 | A | 45.6 | Very low | 45.1 | Very low | 83 Ų | 83 | 127.7 Ų | 127.7 | 69% | 0.686 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | 7 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 259 | A | 44.9 | Very low | 46.7 | Very low | 90 Ų | 90 | 129 Ų | 129 | 74% | 0.744 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123 | 6.1 | -163.5 | 0 | 0 | 0 | 0 | 0 | 116.5 | M257 | M257-A259 VanDerWaalsContact C-N 3.26Å; M257-A259 PolarHBondContact O-N 2.71Å |
| 260 | T | 48.5 | Very low | 48.3 | Very low | 129 Ų | 129 | 126.1 Ų | 126.1 | 79% | 0.791 | 73% | 0.726 | S | S | * | * | | | trans | -143.1 | 24.3 | 178 | 44.9 | 0 | 0 | 0 | 0 | 115.3 | Q262 | T260-Q262 VanDerWaalsContact C-N 3.29Å; T260-Q262 PolarHBondContact O-N 3.06Å; T260-Q262 VanDerWaalsContact O-N 3.08Å |
| 261 | L | 39.9 | Very low | 49.7 | Very low | 158 Ų | 158 | 124.5 Ų | 124.5 | 83% | 0.827 | 72% | 0.719 | S | S | * | * | | | trans | -86.6 | 63.7 | 173.4 | -84.3 | 169.1 | 0 | 0 | 0 | 113 | | |
| 262 | Q | 45.8 | Very low | 51.6 | Low | 181 Ų | 181 | 122.3 Ų | 122.3 | 85% | 0.846 | 70% | 0.698 | S | S | * | * | | | trans | -137.8 | 58 | 168.7 | -90.3 | -67.6 | -13.3 | 0 | 0 | 110.6 | T260 | T260-Q262 VanDerWaalsContact C-N 3.29Å; T260-Q262 PolarHBondContact O-N 3.06Å; T260-Q262 VanDerWaalsContact O-N 3.08Å |
| 263 | Q | 40.8 | Very low | 53.4 | Low | 190 Ų | 190 | 121.4 Ų | 121.4 | 89% | 0.888 | 69% | 0.692 | S | S | * | * | | | trans | -149.5 | 148.5 | 158.6 | -116.6 | 177.1 | 32.5 | 0 | 0 | 111.1 | Q265 | Q263-Q265 PolarHBondContact O-N 2.69Š|
| 264 | N | 43.8 | Very low | 54.9 | Low | 166 Ų | 166 | 120.9 Ų | 120.9 | 89% | 0.888 | 69% | 0.687 | S | S | * | * | | | trans | -110.7 | 59.6 | -152.4 | -159.9 | -4.9 | 0 | 0 | 0 | 112.3 | | |
| 265 | Q | 48.2 | Very low | 56.8 | Low | 176 Ų | 176 | 122.2 Ų | 122.2 | 82% | 0.822 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -154.1 | 140.3 | 179.4 | -139.2 | 160.4 | 19.3 | 0 | 0 | 111 | Q263 | Q263-Q265 PolarHBondContact O-N 2.69Š|
| 266 | P | 46 | Very low | 58.2 | Low | 116 Ų | 116 | 119.7 Ų | 119.7 | 75% | 0.753 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 134.9 | 177.4 | 26.9 | -34.4 | 0 | 0 | 0 | 110.8 | D268 | P266-D268 PolarHBondContact O-N 2.77Š|
| 267 | P | 57 | Low | 59.5 | Low | 95 Ų | 95 | 118.3 Ų | 118.3 | 62% | 0.617 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 124.5 | 179.2 | 27 | -33.5 | 0 | 0 | 0 | 110.7 | I272 | P267-I272 HydrophobicContact CB-CD1 4.43Å; P267-I272 HydrophobicContact CB-CG1 4.46Å; P267-I272 HydrophobicContact CG-CD1 4.26Å |
| 268 | D | 64.4 | Low | 60.8 | Low | 112 Ų | 112 | 118.2 Ų | 118.2 | 60% | 0.599 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 138.5 | 177.6 | -179.1 | 20.4 | 0 | 0 | 0 | 111.3 | P266 S270 S271 I272 | P266-D268 PolarHBondContact O-N 2.77Å; D268-S270 PolarHBondContact O-N 3.35Å; D268-S270 WeakPolarHBondContact OD2-CB 3.49Å; D268-S271 VanDerWaalsContact O-CB 3.3Å; D268-S271 WeakPolarHBondContact O-CB 3.42Å; D268-S271 PolarHBondContact O-N 3.35Å; D268-I272 PolarHBondContact O-N 3.13Å |
| 269 | L | 71.4 | Confident | 62 | Low | 132 Ų | 132 | 121 Ų | 121 | 69% | 0.691 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -57.8 | -32.3 | -177.9 | -64.8 | 174 | 0 | 0 | 0 | 111.7 | S271 I272 V273 | L269-S271 VanDerWaalsContact C-N 3.3Å; L269-S271 PolarHBondContact O-N 3.3Å; L269-I272 HydrophobicContact CD2-CD1 4.49Å; L269-I272 PolarHBondContact O-N 3.32Å; L269-V273 WeakPolarHBondContact O-CG2 3.45Å; L269-V273 PolarHBondContact O-N 3.35Å |
| 270 | S | 67.1 | Low | 63.1 | Low | 62 Ų | 62 | 120.1 Ų | 120.1 | 43% | 0.434 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -58.7 | -40.1 | 174 | -171.4 | 0 | 0 | 0 | 0 | 112.4 | D268 H274 | D268-S270 PolarHBondContact O-N 3.35Å; D268-S270 WeakPolarHBondContact OD2-CB 3.49Å; S270-H274 PolarHBondContact O-N 3.32Å; S270-H274 PolarHBondContact O-ND1 3.47Å |
| 271 | S | 71.9 | Confident | 64 | Low | 70 Ų | 70 | 119.2 Ų | 119.2 | 49% | 0.49 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -68.5 | -45.1 | 178.7 | -171.1 | 0 | 0 | 0 | 0 | 111.5 | D268 L269 V273 H274 Q275 | D268-S271 VanDerWaalsContact O-CB 3.3Å; D268-S271 WeakPolarHBondContact O-CB 3.42Å; D268-S271 PolarHBondContact O-N 3.35Å; L269-S271 VanDerWaalsContact C-N 3.3Å; L269-S271 PolarHBondContact O-N 3.3Å; S271-V273 VanDerWaalsContact C-N 3.33Å; S271-V273 PolarHBondContact O-N 3.32Å; S271-H274 PolarHBondContact O-N 2.92Å; S271-Q275 WeakPolarHBondContact O-CB 3.31Å; S271-Q275 PolarHBondContact O-N 3Å |
| 272 | I | 79.4 | Confident | 64.8 | Low | 65 Ų | 65 | 115 Ų | 115 | 33% | 0.333 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -60.5 | -43.3 | 177.9 | -59 | 174.1 | 0 | 0 | 0 | 110.7 | P267 D268 L269 Q275 I276 | P267-I272 HydrophobicContact CB-CD1 4.43Å; P267-I272 HydrophobicContact CB-CG1 4.46Å; P267-I272 HydrophobicContact CG-CD1 4.26Å; D268-I272 PolarHBondContact O-N 3.13Å; L269-I272 HydrophobicContact CD2-CD1 4.49Å; L269-I272 PolarHBondContact O-N 3.32Å; I272-Q275 PolarHBondContact O-N 2.88Å; I272-I276 HydrophobicContact CG2-CD1 3.9Å; I272-I276 VanDerWaalsContact O-CG1 3.31Å; I272-I276 WeakPolarHBondContact O-CG1 3.33Å; I272-I276 PolarHBondContact O-N 3.2Å |
| 273 | V | 81.6 | Confident | 65.2 | Low | 94 Ų | 94 | 115.7 Ų | 115.7 | 57% | 0.57 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.9 | -42.4 | 176.2 | 171.5 | 0 | 0 | 0 | 0 | 111.5 | L269 S271 I276 N277 | L269-V273 WeakPolarHBondContact O-CG2 3.45Å; L269-V273 PolarHBondContact O-N 3.35Å; S271-V273 VanDerWaalsContact C-N 3.33Å; S271-V273 PolarHBondContact O-N 3.32Å; V273-I276 PolarHBondContact O-N 3.33Å; V273-N277 VanDerWaalsContact O-CB 3.27Å; V273-N277 WeakPolarHBondContact O-CB 3.18Å; V273-N277 PolarHBondContact O-N 2.99Å |
| 274 | H | 75.3 | Confident | 65.8 | Low | 117 Ų | 117 | 110.4 Ų | 110.4 | 54% | 0.542 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -64.4 | -40.9 | 175.7 | -81 | 85.9 | 0 | 0 | 0 | 112.7 | S270 S271 N277 Q278 | S270-H274 PolarHBondContact O-N 3.32Å; S270-H274 PolarHBondContact O-ND1 3.47Å; S271-H274 PolarHBondContact O-N 2.92Å; H274-N277 PolarHBondContact O-N 2.88Å; H274-Q278 PolarHBondContact O-N 3.37Å |
| 275 | Q | 79.8 | Confident | 66.3 | Low | 127 Ų | 127 | 105.8 Ų | 105.8 | 59% | 0.593 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.5 | -43.2 | 178 | -169.9 | 178.3 | 7.2 | 0 | 0 | 111.8 | S271 I272 F279 | S271-Q275 WeakPolarHBondContact O-CB 3.31Å; S271-Q275 PolarHBondContact O-N 3Å; I272-Q275 PolarHBondContact O-N 2.88Å; Q275-F279 WeakPolarHBondContact O-CB 3.43Å; Q275-F279 PolarHBondContact O-N 3.28Å |
| 276 | I | 78.6 | Confident | 66.3 | Low | 100 Ų | 100 | 103.7 Ų | 103.7 | 51% | 0.513 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64 | -41.7 | 173.9 | -68.7 | 168 | 0 | 0 | 0 | 110.8 | I272 V273 F279 C280 | I272-I276 HydrophobicContact CG2-CD1 3.9Å; I272-I276 VanDerWaalsContact O-CG1 3.31Å; I272-I276 WeakPolarHBondContact O-CG1 3.33Å; I272-I276 PolarHBondContact O-N 3.2Å; V273-I276 PolarHBondContact O-N 3.33Å; I276-F279 PolarHBondContact O-N 3.49Å; I276-C280 WeakPolarHBondContact O-CB 3.37Å; I276-C280 PolarHBondContact O-N 3.49Å; I276-C280 PolarHBondContact O-SG 3.42Å |
| 277 | N | 71.9 | Confident | 66.2 | Low | 78 Ų | 78 | 104 Ų | 104 | 42% | 0.417 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -65.7 | -44.9 | -180 | -161.6 | 16.5 | 0 | 0 | 0 | 111.6 | V273 H274 F279 C280 Q281 | V273-N277 VanDerWaalsContact O-CB 3.27Å; V273-N277 WeakPolarHBondContact O-CB 3.18Å; V273-N277 PolarHBondContact O-N 2.99Å; H274-N277 PolarHBondContact O-N 2.88Å; N277-F279 PolarHBondContact O-N 3.08Å; N277-C280 PolarHBondContact O-N 3.27Å; N277-Q281 PolarHBondContact ND2-NE2 3.43Å; N277-Q281 WeakPolarHBondContact O-CB 3.27Å; N277-Q281 WeakPolarHBondContact O-CG 3.44Å; N277-Q281 PolarHBondContact O-N 3.21Å; N277-Q281 PolarHBondContact OD1-NE2 2.78Å |
| 278 | Q | 75.1 | Confident | 65.6 | Low | 142 Ų | 142 | 105 Ų | 105 | 66% | 0.664 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -59.6 | -43.6 | 172 | -79.7 | -167.6 | -7.4 | 0 | 0 | 112.2 | H274 C280 Q281 A282 | H274-Q278 PolarHBondContact O-N 3.37Å; Q278-C280 PolarHBondContact O-N 3.06Å; Q278-Q281 PolarHBondContact O-N 3.18Å; Q278-A282 WeakPolarHBondContact O-CB 3.38Å; Q278-A282 PolarHBondContact O-N 3.05Å |
| 279 | F | 71.4 | Confident | 64.9 | Low | 142 Ų | 142 | 106.9 Ų | 106.9 | 62% | 0.623 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63 | -41.6 | 177.8 | -174.4 | -100 | 0 | 0 | 0 | 112.1 | Q275 I276 N277 R283 | Q275-F279 WeakPolarHBondContact O-CB 3.43Å; Q275-F279 PolarHBondContact O-N 3.28Å; I276-F279 PolarHBondContact O-N 3.49Å; N277-F279 PolarHBondContact O-N 3.08Å; F279-R283 WeakPolarHBondContact O-CB 3.3Å; F279-R283 PolarHBondContact O-N 3.35Å |
| 280 | C | 67.6 | Low | 63.4 | Low | 70 Ų | 70 | 106 Ų | 106 | 47% | 0.473 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -64.6 | -39 | 174.7 | -67.5 | 0 | 0 | 0 | 0 | 112.2 | I276 N277 Q278 R283 A284 | I276-C280 WeakPolarHBondContact O-CB 3.37Å; I276-C280 PolarHBondContact O-N 3.49Å; I276-C280 PolarHBondContact O-SG 3.42Å; N277-C280 PolarHBondContact O-N 3.27Å; Q278-C280 PolarHBondContact O-N 3.06Å; C280-R283 PolarHBondContact O-N 3.15Å; C280-A284 WeakPolarHBondContact O-CB 3.42Å; C280-A284 PolarHBondContact O-N 2.92Å |
| 281 | Q | 66.3 | Low | 62.2 | Low | 111 Ų | 111 | 109.8 Ų | 109.8 | 52% | 0.519 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -69.9 | -42.9 | 178 | -70.3 | 164.8 | 15.3 | 0 | 0 | 112 | N277 Q278 R283 A284 G285 | N277-Q281 PolarHBondContact ND2-NE2 3.43Å; N277-Q281 WeakPolarHBondContact O-CB 3.27Å; N277-Q281 WeakPolarHBondContact O-CG 3.44Å; N277-Q281 PolarHBondContact O-N 3.21Å; N277-Q281 PolarHBondContact OD1-NE2 2.78Å; Q278-Q281 PolarHBondContact O-N 3.18Å; Q281-R283 VanDerWaalsContact C-N 3.25Å; Q281-R283 PolarHBondContact O-N 3.24Å; Q281-A284 PolarHBondContact O-N 3.25Å; Q281-A284 VanDerWaalsContact O-N 3.13Å; Q281-G285 PolarHBondContact O-N 2.84Å |
| 282 | A | 57.4 | Low | 60.5 | Low | 69 Ų | 69 | 112.8 Ų | 112.8 | 57% | 0.57 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -60.6 | -34.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112 | Q278 | Q278-A282 WeakPolarHBondContact O-CB 3.38Å; Q278-A282 PolarHBondContact O-N 3.05Å |
| 283 | R | 54.5 | Low | 58.8 | Low | 196 Ų | 196 | 118.1 Ų | 118.1 | 74% | 0.74 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -74.4 | -33.1 | 173.7 | -156.5 | 74.5 | -160.3 | -99.2 | 4 | 113.1 | F279 C280 Q281 | F279-R283 WeakPolarHBondContact O-CB 3.3Å; F279-R283 PolarHBondContact O-N 3.35Å; C280-R283 PolarHBondContact O-N 3.15Å; Q281-R283 VanDerWaalsContact C-N 3.25Å; Q281-R283 PolarHBondContact O-N 3.24Å |
| 284 | A | 53.9 | Low | 56.6 | Low | 78 Ų | 78 | 116.5 Ų | 116.5 | 65% | 0.645 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -74.7 | -24.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | C280 Q281 I286 | C280-A284 WeakPolarHBondContact O-CB 3.42Å; C280-A284 PolarHBondContact O-N 2.92Å; Q281-A284 PolarHBondContact O-N 3.25Å; Q281-A284 VanDerWaalsContact O-N 3.13Å; A284-I286 VanDerWaalsContact C-N 3.26Å; A284-I286 PolarHBondContact O-N 2.85Å |
| 285 | G | 52.6 | Low | 54.9 | Low | 69 Ų | 69 | 119.8 Ų | 119.8 | 71% | 0.711 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.9 | -10.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | Q281 | Q281-G285 PolarHBondContact O-N 2.84Š|
| 286 | I | 48.8 | Very low | 52.9 | Low | 132 Ų | 132 | 121 Ų | 121 | 68% | 0.677 | 70% | 0.7 | S | S | * | * | | | trans | -117.6 | 72.6 | -174.6 | -44.9 | 178.5 | 0 | 0 | 0 | 110.3 | A284 T288 | A284-I286 VanDerWaalsContact C-N 3.26Å; A284-I286 PolarHBondContact O-N 2.85Å; I286-T288 PolarHBondContact O-N 3.47Å |
| 287 | S | 44.1 | Very low | 50.9 | Low | 123 Ų | 123 | 120.8 Ų | 120.8 | 86% | 0.86 | 71% | 0.713 | S | S | * | * | | | trans | -91.1 | 79.7 | 171.1 | -158.3 | 0 | 0 | 0 | 0 | 110.9 | | |
| 288 | T | 44.2 | Very low | 49.2 | Very low | 117 Ų | 117 | 123 Ų | 123 | 72% | 0.718 | 73% | 0.726 | S | S | * | * | | | trans | -123 | 143.8 | 160.6 | 49.7 | 0 | 0 | 0 | 0 | 110.1 | I286 S290 | I286-T288 PolarHBondContact O-N 3.47Å; T288-S290 PolarHBondContact O-N 2.94Å |
| 289 | T | 49.1 | Very low | 47.6 | Very low | 150 Ų | 150 | 121.7 Ų | 121.7 | 92% | 0.92 | 73% | 0.729 | S | S | * | * | | | trans | -78.8 | 110.2 | -167.5 | 48.6 | 0 | 0 | 0 | 0 | 112.6 | | |
| 290 | S | 40.9 | Very low | 45.9 | Very low | 113 Ų | 113 | 119.1 Ų | 119.1 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | | | trans | -142.2 | 107.6 | 154.2 | 50.5 | 0 | 0 | 0 | 0 | 110.2 | T288 | T288-S290 PolarHBondContact O-N 2.94Š|
| 291 | V | 41.1 | Very low | 45 | Very low | 143 Ų | 143 | 122 Ų | 122 | 87% | 0.867 | 75% | 0.747 | S | S | * | * | | | trans | -80.6 | 135.3 | 164.9 | -74.5 | 0 | 0 | 0 | 0 | 108.1 | E293 | V291-E293 PolarHBondContact O-N 3.28Š|
| 292 | C | 37.1 | Very low | 43.9 | Very low | 133 Ų | 133 | 124 Ų | 124 | 90% | 0.899 | 76% | 0.759 | S | S | * | * | | | trans | -68.8 | 117.5 | 170.3 | -63.6 | 0 | 0 | 0 | 0 | 108.6 | G294 | C292-G294 PolarHBondContact O-N 3Å; C292-G294 VanDerWaalsContact O-N 3.17Å |
| 293 | E | 43.4 | Very low | 43.2 | Very low | 176 Ų | 176 | 124 Ų | 124 | 82% | 0.822 | 76% | 0.755 | S | S | * | * | | | trans | -73 | 106.6 | -179.3 | -167.6 | 174 | 134.7 | 0 | 0 | 110.3 | V291 | V291-E293 PolarHBondContact O-N 3.28Š|
| 294 | G | 36 | Very low | 42.7 | Very low | 61 Ų | 61 | 125.4 Ų | 125.4 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | | | trans | -125.2 | 112.9 | 173 | 0 | 0 | 0 | 0 | 0 | 109.5 | C292 I296 | C292-G294 PolarHBondContact O-N 3Å; C292-G294 VanDerWaalsContact O-N 3.17Å; G294-I296 PolarHBondContact O-N 2.87Å |
| 295 | Q | 38.9 | Very low | 42.1 | Very low | 185 Ų | 185 | 127.9 Ų | 127.9 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | | | trans | -71.9 | 92.8 | -176.5 | -68 | -177.2 | -5.7 | 0 | 0 | 111.5 | | |
| 296 | I | 37.3 | Very low | 42.1 | Very low | 152 Ų | 152 | 131.4 Ų | 131.4 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | | | trans | -94.6 | 119.8 | 161.4 | -57.8 | 179 | 0 | 0 | 0 | 107.8 | G294 N298 | G294-I296 PolarHBondContact O-N 2.87Å; I296-N298 PolarHBondContact O-N 3.07Å |
| 297 | A | 37.7 | Very low | 42.2 | Very low | 96 Ų | 96 | 132.4 Ų | 132.4 | 79% | 0.793 | 77% | 0.77 | S | S | * | * | | | trans | -68.9 | 114.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | | |
| 298 | N | 35.8 | Very low | 42.3 | Very low | 126 Ų | 126 | 131.9 Ų | 131.9 | 67% | 0.674 | 76% | 0.757 | S | S | * | * | | | trans | 53 | 92.8 | 157.8 | -170.2 | 4.9 | 0 | 0 | 0 | 118.9 | I296 S300 | I296-N298 PolarHBondContact O-N 3.07Å; N298-S300 PolarHBondContact OD1-N 3.17Å; N298-S300 PolarHBondContact OD1-OG 3.38Å; N298-S300 VanDerWaalsContact OD1-OG 3.1Å |
| 299 | P | 42 | Very low | 42.1 | Very low | 113 Ų | 113 | 132.7 Ų | 132.7 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | trans | -94.7 | 118.7 | 140 | 33 | -25.7 | 0 | 0 | 0 | 110.5 | | |
| 300 | S | 36.1 | Very low | 41.7 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 62% | 0.622 | 74% | 0.743 | S | S | * | * | | | trans | -68.6 | 149.8 | 179 | -63.5 | 0 | 0 | 0 | 0 | 112.8 | N298 I302 | N298-S300 PolarHBondContact OD1-N 3.17Å; N298-S300 PolarHBondContact OD1-OG 3.38Å; N298-S300 VanDerWaalsContact OD1-OG 3.1Å; S300-I302 PolarHBondContact O-N 2.87Å |
| 301 | P | 48.1 | Very low | 41.8 | Very low | 130 Ų | 130 | 129 Ų | 129 | 84% | 0.844 | 74% | 0.742 | S | S | * | * | | | trans | -84 | 106.1 | -160.5 | 31.6 | -36 | 0 | 0 | 0 | 114.2 | | |
| 302 | I | 42.2 | Very low | 41.9 | Very low | 153 Ų | 153 | 127.5 Ų | 127.5 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | | | trans | -124.4 | 119.8 | 171.2 | -70.5 | -177.7 | 0 | 0 | 0 | 112.2 | S300 | S300-I302 PolarHBondContact O-N 2.87Š|
| 303 | S | 42.6 | Very low | 42.1 | Very low | 68 Ų | 68 | 131.3 Ų | 131.3 | 48% | 0.476 | 73% | 0.728 | S | S | . | * | | | trans | 45.5 | 72.1 | 162.2 | 69 | 0 | 0 | 0 | 0 | 119.5 | N305 L306 | S303-N305 PolarHBondContact O-N 3.4Å; S303-N305 VanDerWaalsContact O-N 3.13Å; S303-L306 PolarHBondContact O-N 2.85Å |
| 304 | R | 44.1 | Very low | 41.5 | Very low | 226 Ų | 226 | 129.4 Ų | 129.4 | 85% | 0.853 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -56.8 | -21.9 | 162.8 | -170.4 | 172.6 | -178.9 | 135.5 | -2.2 | 113.7 | | |
| 305 | N | 42.5 | Very low | 41.2 | Very low | 131 Ų | 131 | 132 Ų | 132 | 70% | 0.701 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -77.9 | -18.7 | -175.9 | -75.1 | -31.7 | 0 | 0 | 0 | 115.6 | S303 L307 | S303-N305 PolarHBondContact O-N 3.4Å; S303-N305 VanDerWaalsContact O-N 3.13Å; N305-L307 PolarHBondContact O-N 3.03Å |
| 306 | L | 52.1 | Low | 41 | Very low | 143 Ų | 143 | 128.4 Ų | 128.4 | 75% | 0.749 | 73% | 0.728 | S | S | * | * | G | 310 helix | trans | -75.9 | -23.5 | -175.5 | -110.9 | 73.2 | 0 | 0 | 0 | 114 | S303 | S303-L306 PolarHBondContact O-N 2.85Š|
| 307 | L | 50.6 | Low | 40.8 | Very low | 152 Ų | 152 | 129.1 Ų | 129.1 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -88.5 | -12.8 | -171.8 | -137.7 | 98.8 | 0 | 0 | 0 | 114.7 | N305 | N305-L307 PolarHBondContact O-N 3.03Š|
| 308 | I | 45.9 | Very low | 40.5 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 58% | 0.579 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -82.5 | -29.1 | -172 | -62.4 | 177.8 | 0 | 0 | 0 | 112.1 | A310 | I308-A310 PolarHBondContact O-N 3.17Å; I308-A310 VanDerWaalsContact O-N 3.17Å |
| 309 | N | 41.4 | Very low | 40.4 | Very low | 133 Ų | 133 | 131.3 Ų | 131.3 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -77.8 | 4.4 | -176.1 | -74.9 | -18.9 | 0 | 0 | 0 | 115.3 | | |
| 310 | A | 39.1 | Very low | 40.4 | Very low | 77 Ų | 77 | 131.8 Ų | 131.8 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -82.1 | -27.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I308 | I308-A310 PolarHBondContact O-N 3.17Å; I308-A310 VanDerWaalsContact O-N 3.17Å |
| 311 | S | 44.1 | Very low | 40.2 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -108.8 | 40.4 | -163.3 | -61.9 | 0 | 0 | 0 | 0 | 114.7 | | |
| 312 | T | 43.3 | Very low | 39.8 | Very low | 111 Ų | 111 | 133.2 Ų | 133.2 | 68% | 0.681 | 74% | 0.738 | S | S | * | * | | | trans | -139.8 | 86.9 | 174.7 | -43.8 | 0 | 0 | 0 | 0 | 112 | | |
| 313 | R | 40.5 | Very low | 39.5 | Very low | 212 Ų | 212 | 134.2 Ų | 134.2 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | | | trans | -174.9 | 69.1 | 154.1 | 43.6 | -164.9 | 152.8 | -79.2 | 6.3 | 113 | | |
| 314 | V | 31.1 | Very low | 39.2 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 83% | 0.83 | 76% | 0.755 | S | S | * | * | | | trans | -111.8 | 111 | 150.8 | 173.9 | 0 | 0 | 0 | 0 | 105.9 | T316 | V314-T316 PolarHBondContact O-N 3.37Š|
| 315 | S | 30.5 | Very low | 38.5 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 75% | 0.751 | S | S | * | * | | | trans | -95.7 | 91.9 | -176.6 | -172 | 0 | 0 | 0 | 0 | 110 | H317 | S315-H317 PolarHBondContact O-N 3.42Š|
| 316 | T | 33.2 | Very low | 37.8 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | | | trans | -67 | 120.7 | 171.5 | 47 | 0 | 0 | 0 | 0 | 110.1 | V314 N318 | V314-T316 PolarHBondContact O-N 3.37Å; T316-N318 PolarHBondContact O-N 3.33Å |
| 317 | H | 32.9 | Very low | 37 | Very low | 167 Ų | 167 | 128.9 Ų | 128.9 | 77% | 0.773 | 75% | 0.753 | S | S | * | * | | | trans | -85.3 | 106.7 | 172.2 | 37.8 | -87.1 | 0 | 0 | 0 | 108.7 | S315 V319 | S315-H317 PolarHBondContact O-N 3.42Å; H317-V319 PolarHBondContact O-N 2.92Å |
| 318 | N | 33.2 | Very low | 36 | Very low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 75% | 0.753 | S | S | * | * | | | trans | -68.4 | 122.5 | 178.4 | -82 | 23.9 | 0 | 0 | 0 | 111 | T316 | T316-N318 PolarHBondContact O-N 3.33Š|
| 319 | V | 32.4 | Very low | 35.4 | Very low | 116 Ų | 116 | 128.8 Ų | 128.8 | 70% | 0.703 | 76% | 0.759 | S | S | * | * | | | trans | -116.6 | 124.1 | 158.4 | 179 | 0 | 0 | 0 | 0 | 106.6 | H317 | H317-V319 PolarHBondContact O-N 2.92Š|
| 320 | P | 43.1 | Very low | 35.3 | Very low | 124 Ų | 124 | 128.6 Ų | 128.6 | 81% | 0.805 | 76% | 0.764 | S | S | * | * | | | trans | -83.8 | 121.9 | -179.9 | -1.9 | 19.7 | 0 | 0 | 0 | 111.1 | | |
| 321 | T | 30.9 | Very low | 35 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 75% | 0.748 | 77% | 0.772 | S | S | * | * | | | trans | -133 | 149.2 | 161.8 | 44.5 | 0 | 0 | 0 | 0 | 110.3 | | |
| 322 | P | 41 | Very low | 34.4 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -86 | 140.2 | -165.3 | -9.3 | 28.6 | 0 | 0 | 0 | 113.3 | | |
| 323 | M | 34.7 | Very low | 33.8 | Very low | 173 Ų | 173 | 135.5 Ų | 135.5 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 132.4 | 168.7 | -73 | -76 | -70.8 | 0 | 0 | 110.8 | | |
| 324 | P | 36.3 | Very low | 33.3 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 133.7 | 161.9 | 31.7 | -31.2 | 0 | 0 | 0 | 109.9 | | |
| 325 | S | 30.3 | Very low | 33.3 | Very low | 112 Ų | 112 | 127.8 Ų | 127.8 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -92.5 | 121.2 | 174.9 | -173.9 | 0 | 0 | 0 | 0 | 110.5 | | |
| 326 | C | 27.3 | Very low | 33.2 | Very low | 120 Ų | 120 | 127 Ų | 127 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | | | trans | -104.8 | 84.6 | 173.9 | 44.7 | 0 | 0 | 0 | 0 | 110.8 | | |
| 327 | V | 34.5 | Very low | 33.1 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 67% | 0.667 | 77% | 0.774 | S | S | * | * | | | trans | -74.2 | 127 | 165.8 | 176.4 | 0 | 0 | 0 | 0 | 108.8 | | |
| 328 | V | 30.8 | Very low | 33.2 | Very low | 133 Ų | 133 | 125.9 Ų | 125.9 | 81% | 0.806 | 78% | 0.779 | S | S | * | * | | | trans | -115.8 | 111.4 | 171.3 | 179.1 | 0 | 0 | 0 | 0 | 108.4 | | |
| 329 | N | 32.3 | Very low | 34 | Very low | 130 Ų | 130 | 123.9 Ų | 123.9 | 70% | 0.695 | 77% | 0.774 | S | S | * | * | | | trans | -105.5 | 146.4 | 165.2 | -75.1 | -39 | 0 | 0 | 0 | 108.8 | | |
| 330 | P | 40.7 | Very low | 33.9 | Very low | 128 Ų | 128 | 123.8 Ų | 123.8 | 83% | 0.831 | 78% | 0.778 | S | S | * | * | | | trans | -70.2 | 160.1 | 173.4 | 30.8 | -34.6 | 0 | 0 | 0 | 111.9 | | |
| 331 | V | 31.9 | Very low | 33.3 | Very low | 133 Ų | 133 | 122.3 Ų | 122.3 | 81% | 0.806 | 78% | 0.776 | S | S | * | * | | | trans | -95 | 144.3 | -176.8 | 174.2 | 0 | 0 | 0 | 0 | 110.6 | | |
| 332 | D | 30.6 | Very low | 33.3 | Very low | 143 Ų | 143 | 121.5 Ų | 121.5 | 77% | 0.765 | 78% | 0.776 | S | S | * | * | | | trans | -148.9 | -175.8 | 143.8 | -142.1 | -80 | 0 | 0 | 0 | 111.6 | | |
| 333 | H | 31.8 | Very low | 32.8 | Very low | 168 Ų | 168 | 121.2 Ų | 121.2 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | | | trans | -82 | 151 | -139.1 | -98.9 | -113.1 | 0 | 0 | 0 | 120.7 | | |
| 334 | A | 30.4 | Very low | 32.6 | Very low | 88 Ų | 88 | 120 Ų | 120 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | | | trans | 86.4 | 118.1 | 132.3 | 0 | 0 | 0 | 0 | 0 | 123.8 | | |
| 335 | A | 29.7 | Very low | 32.4 | Very low | 98 Ų | 98 | 120.4 Ų | 120.4 | 81% | 0.81 | 77% | 0.768 | S | S | * | * | | | | 92.2 | 129.1 | 125.6 | 0 | 0 | 0 | 0 | 0 | 122.8 | | |
| 336 | A | 30.2 | Very low | 33.1 | Very low | 98 Ų | 98 | 120.4 Ų | 120.4 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | | | trans | 80.1 | 99 | 141.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | | |
| 337 | A | 29.7 | Very low | 33.2 | Very low | 85 Ų | 85 | 122.8 Ų | 122.8 | 70% | 0.702 | 77% | 0.767 | S | S | * | * | | | | 93.5 | 99.7 | 105.7 | 0 | 0 | 0 | 0 | 0 | 122.3 | | |
| 338 | I | 35.9 | Very low | 33 | Very low | 169 Ų | 169 | 123.2 Ų | 123.2 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | 66.6 | 157 | 138.8 | 33.3 | 173.9 | 0 | 0 | 0 | 120.6 | | |
| 339 | P | 49.7 | Very low | 32.8 | Very low | 109 Ų | 109 | 123 Ų | 123 | 71% | 0.708 | 76% | 0.764 | S | S | * | * | | | trans | -140.7 | -142 | -131.1 | 45 | -22.2 | 0 | 0 | 0 | 114.6 | | |
| 340 | S | 29.6 | Very low | 32.9 | Very low | 115 Ų | 115 | 123.6 Ų | 123.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | | | trans | 77.3 | 154.3 | 173.1 | -54.2 | 0 | 0 | 0 | 0 | 114.3 | | |
| 341 | A | 30.8 | Very low | 32.3 | Very low | 92 Ų | 92 | 123.6 Ų | 123.6 | 76% | 0.76 | 76% | 0.759 | S | S | * | * | | | cis | -164.7 | 165 | -5.4 | 0 | 0 | 0 | 0 | 0 | 108.4 | | |
| 342 | S | 31.5 | Very low | 32.3 | Very low | 105 Ų | 105 | 128 Ų | 128 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | cis | -169.8 | -176.8 | -15.6 | 57.3 | 0 | 0 | 0 | 0 | 109.9 | | |
| 343 | V | 30.6 | Very low | 32.4 | Very low | 122 Ų | 122 | 127.7 Ų | 127.7 | 74% | 0.739 | 76% | 0.764 | S | S | * | * | | | trans | 16.8 | 123.1 | 144.3 | 178.3 | 0 | 0 | 0 | 0 | 116.8 | | |
| 344 | N | 31 | Very low | 32.7 | Very low | 148 Ų | 148 | 125.4 Ų | 125.4 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | | | | -164.6 | 174.3 | 57.6 | -146.9 | -6.7 | 0 | 0 | 0 | 114.6 | | |
| 345 | V | 31.2 | Very low | 32.7 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 74% | 0.739 | 77% | 0.767 | S | S | * | * | | | trans | -122 | 156.8 | 164.6 | -145.1 | 0 | 0 | 0 | 0 | 108.5 | | |
| 346 | P | 44.1 | Very low | 32.7 | Very low | 113 Ų | 113 | 125.7 Ų | 125.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | | | | -154.8 | 175.7 | 94.6 | 41.3 | -23.1 | 0 | 0 | 0 | 117.1 | | |
| 347 | M | 29.3 | Very low | 32.6 | Very low | 170 Ų | 170 | 131.1 Ų | 131.1 | 84% | 0.837 | 76% | 0.76 | S | S | * | * | | | trans | 76.9 | 112.2 | 150 | -82.6 | -154.2 | 161.1 | 0 | 0 | 123.5 | | |
| 348 | V | 30.3 | Very low | 32.6 | Very low | 119 Ų | 119 | 135.1 Ų | 135.1 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | | | | 79 | 103.7 | 117.9 | 175.6 | 0 | 0 | 0 | 0 | 120.4 | | |
| 349 | N | 28 | Very low | 32.4 | Very low | 129 Ų | 129 | 135 Ų | 135 | 69% | 0.69 | 77% | 0.766 | S | S | * | * | | | trans | 72 | 86.7 | 130.4 | -158 | 31.8 | 0 | 0 | 0 | 121.2 | | |
| 350 | I | 33.7 | Very low | 31.8 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 73% | 0.728 | 77% | 0.773 | S | S | * | * | | | | 32.5 | 115.1 | 126.4 | -50.8 | 168 | 0 | 0 | 0 | 117.2 | | |
| 351 | N | 29.2 | Very low | 32.3 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 68% | 0.679 | 77% | 0.772 | S | S | * | * | | | trans | -163.1 | 140.7 | 133.1 | -116.8 | -81.1 | 0 | 0 | 0 | 113.8 | | |
| 352 | R | 30.8 | Very low | 32.8 | Very low | 226 Ų | 226 | 145.3 Ų | 145.3 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | 62.6 | 133.4 | 163.4 | -61.3 | -175.5 | 174.3 | 105.9 | 2.2 | 119.7 | | |
| 353 | V | 33.3 | Very low | 33.2 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 83% | 0.83 | 78% | 0.775 | S | S | * | * | | | trans | -94.8 | 149.2 | 171.2 | 178 | 0 | 0 | 0 | 0 | 109.5 | | |
| 354 | P | 38.6 | Very low | 34.2 | Very low | 120 Ų | 120 | 144.7 Ų | 144.7 | 78% | 0.779 | 77% | 0.772 | S | S | * | * | | | trans | -138.1 | 134.8 | 130.2 | 35.5 | -23.2 | 0 | 0 | 0 | 115.1 | | |
| 355 | S | 30.1 | Very low | 35.1 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 79% | 0.79 | 77% | 0.77 | S | S | * | * | | | trans | 33.5 | 126.2 | 143.9 | -157 | 0 | 0 | 0 | 0 | 122.2 | | |
| 356 | A | 28.1 | Very low | 35.4 | Very low | 79 Ų | 79 | 146.2 Ų | 146.2 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | | | | -174 | 165 | 117.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | | |
| 357 | Y | 30 | Very low | 35.5 | Very low | 211 Ų | 211 | 146 Ų | 146 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | | | trans | 73.7 | 65.7 | 163.5 | -69.4 | -72.9 | 0 | 0 | 0 | 121.6 | | |
| 358 | Q | 29.5 | Very low | 36.5 | Very low | 170 Ų | 170 | 145.6 Ų | 145.6 | 79% | 0.794 | 76% | 0.762 | S | S | * | * | | | | 29.7 | 110.4 | 111 | -171.9 | 177.2 | 6.9 | 0 | 0 | 118.4 | | |
| 359 | N | 30.9 | Very low | 37.4 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | | | trans | -156.1 | 71.9 | 153.5 | -114.4 | -75.5 | 0 | 0 | 0 | 110.6 | | |
| 360 | E | 36.1 | Very low | 38.5 | Very low | 181 Ų | 181 | 148 Ų | 148 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | | | trans | -117.8 | 114.2 | 174.2 | -78.1 | -163.5 | 104.9 | 0 | 0 | 111.3 | | |
| 361 | I | 40.9 | Very low | 39.5 | Very low | 155 Ų | 155 | 146.9 Ų | 146.9 | 80% | 0.795 | 76% | 0.756 | S | S | * | * | | | trans | -160.6 | 128.4 | 156.1 | -108.5 | 150.8 | 0 | 0 | 0 | 109.4 | | |
| 362 | K | 42.1 | Very low | 40.4 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 85% | 0.848 | 75% | 0.751 | S | S | * | * | S | Bend | trans | 66.7 | 62.6 | 167.5 | -63.9 | 166.3 | -174.7 | 175 | 0 | 118.8 | | |
| 363 | S | 39.4 | Very low | 41.2 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -109.8 | -14.3 | 151.8 | 56.4 | 0 | 0 | 0 | 0 | 113.8 | | |
| 364 | V | 51.1 | Low | 42 | Very low | 113 Ų | 113 | 141 Ų | 141 | 69% | 0.685 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -17.7 | -166.2 | 179.2 | 0 | 0 | 0 | 0 | 114.4 | W366 | V364-W366 PolarHBondContact O-N 3.34Š|
| 365 | A | 49.7 | Very low | 42.5 | Very low | 90 Ų | 90 | 143.6 Ų | 143.6 | 74% | 0.744 | 74% | 0.742 | S | S | * | * | H | α-helix | trans | -67.4 | -30 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | | |
| 366 | W | 38.2 | Very low | 43.4 | Very low | 212 Ų | 212 | 146.6 Ų | 146.6 | 80% | 0.803 | 74% | 0.744 | S | S | * | * | H | α-helix | trans | -78.1 | -29.2 | -176.7 | -170.6 | -99.5 | 0 | 0 | 0 | 113.2 | V364 | V364-W366 PolarHBondContact O-N 3.34Å |
| 367 | N | 46.3 | Very low | 44.1 | Very low | 108 Ų | 108 | 150.6 Ų | 150.6 | 58% | 0.578 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -77.6 | -35.3 | -168.6 | -147.8 | -95.8 | 0 | 0 | 0 | 112.9 | H369 Q370 | N367-H369 PolarHBondContact O-N 2.85Å; N367-Q370 PolarHBondContact O-N 3.46Å |
| 368 | Q | 49.5 | Very low | 44.9 | Very low | 162 Ų | 162 | 146.2 Ų | 146.2 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -66.8 | -36.2 | -175.9 | -157.4 | -158.5 | 103.2 | 0 | 0 | 113 | Q370 L371 | Q368-Q370 PolarHBondContact O-N 3.35Å; Q368-L371 PolarHBondContact O-N 3.47Å |
| 369 | H | 50.1 | Low | 45.1 | Very low | 161 Ų | 161 | 141.8 Ų | 141.8 | 75% | 0.745 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -66.2 | -24.3 | -176 | -163.8 | 75.2 | 0 | 0 | 0 | 113.1 | N367 | N367-H369 PolarHBondContact O-N 2.85Å |
| 370 | Q | 51.2 | Low | 45.1 | Very low | 137 Ų | 137 | 142 Ų | 142 | 64% | 0.64 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -75.5 | -26.3 | 176.1 | -65.5 | -154.5 | -97.2 | 0 | 0 | 113.9 | N367 Q368 | N367-Q370 PolarHBondContact O-N 3.46Å; Q368-Q370 PolarHBondContact O-N 3.35Å |
| 371 | L | 54.4 | Low | 44.9 | Very low | 120 Ų | 120 | 138 Ų | 138 | 63% | 0.628 | 75% | 0.749 | S | S | * | * | H | α-helix | trans | -77.7 | -35.2 | -178.9 | -99 | 65.8 | 0 | 0 | 0 | 112.7 | Q368 H373 L374 | Q368-L371 PolarHBondContact O-N 3.47Å; L371-H373 VanDerWaalsContact C-N 3.32Å; L371-H373 PolarHBondContact O-N 3.11Å; L371-L374 PolarHBondContact O-N 3.29Å |
| 372 | A | 47.3 | Very low | 44.5 | Very low | 70 Ų | 70 | 136 Ų | 136 | 58% | 0.579 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -59.3 | -40.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L374 | A372-L374 VanDerWaalsContact C-N 3.27Å; A372-L374 PolarHBondContact O-N 2.9Å |
| 373 | H | 49.4 | Very low | 44 | Very low | 154 Ų | 154 | 130.3 Ų | 130.3 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -71 | -19 | -178 | -161.4 | -49.6 | 0 | 0 | 0 | 113.3 | L371 | L371-H373 VanDerWaalsContact C-N 3.32Å; L371-H373 PolarHBondContact O-N 3.11Å |
| 374 | L | 49.9 | Very low | 44.3 | Very low | 143 Ų | 143 | 132 Ų | 132 | 75% | 0.749 | 76% | 0.761 | S | S | * | * | H | α-helix | trans | -85.1 | -25 | -177.1 | -164.5 | 62.4 | 0 | 0 | 0 | 113.1 | L371 A372 | L371-L374 PolarHBondContact O-N 3.29Å; A372-L374 VanDerWaalsContact C-N 3.27Å; A372-L374 PolarHBondContact O-N 2.9Å |
| 375 | Q | 48.5 | Very low | 43.5 | Very low | 173 Ų | 173 | 131.7 Ų | 131.7 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | H | α-helix | trans | -79.5 | -19.4 | -177 | -168.8 | 146.7 | 68 | 0 | 0 | 113.5 | M377 | Q375-M377 VanDerWaalsContact C-N 3.27Å; Q375-M377 PolarHBondContact O-N 2.83Å |
| 376 | Q | 49.9 | Very low | 42.5 | Very low | 177 Ų | 177 | 130.8 Ų | 130.8 | 83% | 0.827 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 8.4 | -176 | -158.7 | 163.5 | 8.1 | 0 | 0 | 114.6 | | |
| 377 | M | 42.3 | Very low | 42.4 | Very low | 163 Ų | 163 | 129 Ų | 129 | 80% | 0.803 | 77% | 0.774 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.1 | 3.5 | -177.3 | -77.8 | -65.2 | -57.9 | 0 | 0 | 114.5 | Q375 | Q375-M377 VanDerWaalsContact C-N 3.27Å; Q375-M377 PolarHBondContact O-N 2.83Å |
| 378 | C | 46 | Very low | 41.7 | Very low | 119 Ų | 119 | 129 Ų | 129 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -152.3 | 95.6 | -179.8 | -165.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 379 | G | 34 | Very low | 40.7 | Very low | 77 Ų | 77 | 124.8 Ų | 124.8 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | trans | 161.1 | 75.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 380 | D | 30.1 | Very low | 39.7 | Very low | 171 Ų | 171 | 127 Ų | 127 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | | | trans | -152.8 | 88.6 | 155.1 | -133.7 | -27.8 | 0 | 0 | 0 | 111.5 | | |
| 381 | A | 31.6 | Very low | 38.8 | Very low | 97 Ų | 97 | 127.4 Ų | 127.4 | 80% | 0.802 | 80% | 0.798 | S | S | * | * | | | trans | -158.8 | 105.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 382 | A | 33.3 | Very low | 38.3 | Very low | 112 Ų | 112 | 127.7 Ų | 127.7 | 93% | 0.926 | 81% | 0.807 | S | S | * | * | | | trans | 68.4 | 120.4 | 163.9 | 0 | 0 | 0 | 0 | 0 | 120 | | |
| 383 | G | 31.1 | Very low | 37.4 | Very low | 76 Ų | 76 | 132.1 Ų | 132.1 | 78% | 0.784 | 82% | 0.816 | S | S | * | * | | | trans | 155.8 | 108.2 | 162.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | | |
| 384 | P | 46.7 | Very low | 36.4 | Very low | 137 Ų | 137 | 135.8 Ų | 135.8 | 89% | 0.89 | 82% | 0.824 | S | S | * | * | | | trans | -97.9 | 136.6 | -177.1 | 35.3 | -31.9 | 0 | 0 | 0 | 113.9 | | |
| 385 | A | 33.1 | Very low | 35.3 | Very low | 106 Ų | 106 | 138 Ų | 138 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | | | trans | -152.2 | 139.2 | 165.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | | |
| 386 | G | 30.2 | Very low | 34.5 | Very low | 71 Ų | 71 | 138 Ų | 138 | 73% | 0.732 | 83% | 0.834 | S | S | * | * | | | trans | -77.5 | 165.8 | -163.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 387 | L | 35 | Very low | 33.5 | Very low | 175 Ų | 175 | 134.4 Ų | 134.4 | 92% | 0.916 | 83% | 0.834 | S | S | * | * | | | trans | 89.2 | 131.4 | 138.7 | -59 | 173.8 | 0 | 0 | 0 | 121.8 | | |
| 388 | A | 31.9 | Very low | 33 | Very low | 109 Ų | 109 | 129.7 Ų | 129.7 | 90% | 0.901 | 83% | 0.828 | S | S | * | * | | | trans | 57.8 | 138.8 | 161.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | | |
| 389 | G | 29.5 | Very low | 32.5 | Very low | 72 Ų | 72 | 133.2 Ų | 133.2 | 74% | 0.742 | 83% | 0.832 | S | S | * | * | | | cis | 144.2 | 153.1 | 14.2 | 0 | 0 | 0 | 0 | 0 | 106.9 | | |
| 390 | K | 29.2 | Very low | 32.2 | Very low | 209 Ų | 209 | 135 Ų | 135 | 91% | 0.909 | 83% | 0.833 | S | S | * | * | | | cis | -142.2 | 169.2 | 9.3 | -64.3 | 176.9 | 176.4 | 178.6 | 0 | 109.6 | | |
| 391 | H | 31.2 | Very low | 32.3 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 67% | 0.667 | 83% | 0.831 | S | S | * | * | | | trans | -78.9 | 167.6 | 167.3 | -137.3 | -143.5 | 0 | 0 | 0 | 111.7 | Q393 | H391-Q393 PolarHBondContact CE1-OE1 3.2Š|
| 392 | P | 44.3 | Very low | 33.1 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 82% | 0.818 | 83% | 0.832 | S | S | * | * | | | | -139.4 | 159.8 | 96.8 | 39.1 | -27.8 | 0 | 0 | 0 | 115.2 | | |
| 393 | Q | 28 | Very low | 33 | Very low | 163 Ų | 163 | 136.3 Ų | 136.3 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | | | trans | -121 | 144.9 | 175.8 | -172.4 | 173.7 | -24.5 | 0 | 0 | 109.4 | H391 | H391-Q393 PolarHBondContact CE1-OE1 3.2Š|
| 394 | R | 29.6 | Very low | 33.1 | Very low | 231 Ų | 231 | 142.3 Ų | 142.3 | 87% | 0.872 | 83% | 0.832 | S | S | * | * | | | trans | -156 | 103.1 | 163.7 | -180 | 177.6 | -80.1 | -174.7 | -5.9 | 111.5 | | |
| 395 | E | 25.6 | Very low | 32.4 | Very low | 189 Ų | 189 | 142.5 Ų | 142.5 | 88% | 0.883 | 83% | 0.831 | S | S | * | * | | | trans | -134.7 | 157.3 | 143.3 | -72.7 | -159.2 | 116.7 | 0 | 0 | 107.8 | | |
| 396 | I | 31 | Very low | 32.2 | Very low | 173 Ų | 173 | 144.1 Ų | 144.1 | 89% | 0.887 | 83% | 0.825 | S | S | * | * | | | trans | -136.7 | 150 | -174.2 | -123.9 | 168.2 | 0 | 0 | 0 | 109.4 | | |
| 397 | A | 30.3 | Very low | 32.3 | Very low | 102 Ų | 102 | 150.9 Ų | 150.9 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | | | trans | -98.4 | 142.8 | -151.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | | |
| 398 | G | 31.5 | Very low | 32.5 | Very low | 64 Ų | 64 | 147 Ų | 147 | 66% | 0.66 | 82% | 0.815 | S | S | * | * | | | | 97.6 | 139.4 | 126.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | | |
| 399 | Q | 34.8 | Very low | 32.6 | Very low | 193 Ų | 193 | 150.7 Ų | 150.7 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | | | | -173.7 | 135 | 118.2 | -101.1 | 165.2 | 90.4 | 0 | 0 | 114.6 | | |
| 400 | S | 27.4 | Very low | 32.8 | Very low | 116 Ų | 116 | 154.3 Ų | 154.3 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | | | trans | 44.9 | 146.5 | 152.1 | -71 | 0 | 0 | 0 | 0 | 126.1 | | |
| 401 | F | 32.3 | Very low | 33.3 | Very low | 200 Ų | 200 | 152.2 Ų | 152.2 | 88% | 0.877 | 81% | 0.809 | S | S | * | * | | | trans | -79.5 | -173.1 | 173.6 | -61.5 | -91.6 | 0 | 0 | 0 | 113.7 | | |
| 402 | P | 50 | Low | 33.2 | Very low | 127 Ų | 127 | 149.6 Ų | 149.6 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | | | cis | -131.2 | 165.6 | -10.3 | 18.8 | 5.6 | 0 | 0 | 0 | 116.1 | | |
| 403 | G | 30.2 | Very low | 32.8 | Very low | 80 Ų | 80 | 151.8 Ų | 151.8 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | | | trans | -154.8 | 143.1 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 404 | K | 32.8 | Very low | 33.2 | Very low | 202 Ų | 202 | 148 Ų | 148 | 88% | 0.878 | 81% | 0.812 | S | S | * | * | | | trans | -116.3 | 127.1 | -174 | -61.9 | 176.4 | -178.7 | 176.6 | 0 | 112.2 | | |
| 405 | T | 33.5 | Very low | 33.2 | Very low | 141 Ų | 141 | 144.2 Ų | 144.2 | 87% | 0.865 | 80% | 0.804 | S | S | * | * | | | trans | -171.5 | 124.2 | 133.3 | 19.6 | 0 | 0 | 0 | 0 | 114 | | |
| 406 | N | 28.4 | Very low | 33.5 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 74% | 0.743 | 80% | 0.8 | S | S | * | * | | | trans | 35.7 | 114.3 | 149.1 | -75.1 | 3.2 | 0 | 0 | 0 | 124.2 | | |
| 407 | Y | 31.4 | Very low | 33.5 | Very low | 213 Ų | 213 | 141.4 Ų | 141.4 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | 75.4 | 144.5 | 139.9 | -78.8 | -93.3 | 0 | 0 | 0 | 120.8 | | |
| 408 | P | 39.4 | Very low | 33.5 | Very low | 94 Ų | 94 | 143.5 Ų | 143.5 | 61% | 0.61 | 80% | 0.795 | S | S | * | * | | | trans | -112.6 | 163.2 | -151.2 | 41.5 | -33 | 0 | 0 | 0 | 115.1 | E410 | P408-E410 HydrophobicContact CG-CG 4.23Š|
| 409 | Q | 34.4 | Very low | 33.5 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 87% | 0.869 | 80% | 0.799 | S | S | * | * | | | trans | -101.5 | 87.5 | 164.9 | -174.2 | 166.1 | -5.7 | 0 | 0 | 109.6 | L411 | Q409-L411 PolarHBondContact O-N 3.04Š|
| 410 | E | 33.1 | Very low | 33.1 | Very low | 148 Ų | 148 | 146.7 Ų | 146.7 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | | | trans | -73.2 | 104.7 | -178.9 | -87.1 | -69.7 | 106.9 | 0 | 0 | 112.3 | P408 | P408-E410 HydrophobicContact CG-CG 4.23Š|
| 411 | L | 40 | Very low | 33.5 | Very low | 166 Ų | 166 | 146.8 Ų | 146.8 | 87% | 0.869 | 79% | 0.791 | S | S | * | * | | | trans | -137.4 | 74.4 | 158.2 | -84.3 | 178.2 | 0 | 0 | 0 | 109.1 | Q409 | Q409-L411 PolarHBondContact O-N 3.04Š|
| 412 | C | 29.6 | Very low | 33.7 | Very low | 89 Ų | 89 | 143.1 Ų | 143.1 | 60% | 0.601 | 79% | 0.788 | S | S | * | * | | | trans | -114.2 | 116.1 | -177.2 | -153 | 0 | 0 | 0 | 0 | 112.4 | | |
| 413 | M | 35.9 | Very low | 33.4 | Very low | 171 Ų | 171 | 145.1 Ų | 145.1 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | | | trans | 42.6 | 126.5 | 146.3 | -56.8 | -179.5 | 74.4 | 0 | 0 | 120.1 | | |
| 414 | G | 36.6 | Very low | 33.7 | Very low | 84 Ų | 84 | 150.2 Ų | 150.2 | 87% | 0.866 | 79% | 0.792 | S | S | * | * | | | trans | -64.4 | 143.2 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | | |
| 415 | Q | 28.8 | Very low | 33.8 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | | | trans | -122.4 | 139.2 | 174.5 | -93.7 | -72.4 | -1.7 | 0 | 0 | 110.5 | F417 | Q415-F417 HydrophobicContact CB-CE2 3.82Å; Q415-F417 HydrophobicContact CB-CZ 3.95Å |
| 416 | S | 33.1 | Very low | 34.3 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -102.7 | 101.3 | -174.6 | 38.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 417 | F | 29.2 | Very low | 34.6 | Very low | 191 Ų | 191 | 148.8 Ų | 148.8 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | | | trans | -89.4 | 129.5 | 179.7 | -63 | -76.3 | 0 | 0 | 0 | 112.5 | Q415 | Q415-F417 HydrophobicContact CB-CE2 3.82Å; Q415-F417 HydrophobicContact CB-CZ 3.95Å |
| 418 | N | 31.1 | Very low | 35.1 | Very low | 146 Ų | 146 | 144.4 Ų | 144.4 | 78% | 0.781 | 79% | 0.789 | S | S | * | * | | | trans | -131.2 | 122.3 | 165.6 | -176.3 | -27.6 | 0 | 0 | 0 | 107.7 | | |
| 419 | L | 31.2 | Very low | 35 | Very low | 144 Ų | 144 | 145.1 Ų | 145.1 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | | | trans | 165.5 | 142.1 | 138.4 | -89.8 | 164.7 | 0 | 0 | 0 | 112 | | |
| 420 | K | 26.6 | Very low | 35.4 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 78% | 0.778 | 79% | 0.789 | S | S | * | * | | | trans | 58.1 | 116.2 | 161.3 | -108.5 | 75.6 | 174.9 | -171.8 | 0 | 119.2 | | |
| 421 | P | 36 | Very low | 35.7 | Very low | 118 Ų | 118 | 140.2 Ų | 140.2 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 149.2 | 156.1 | 33.5 | -32.5 | 0 | 0 | 0 | 111.5 | | |
| 422 | P | 36.6 | Very low | 35.8 | Very low | 124 Ų | 124 | 139.2 Ų | 139.2 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 165.1 | 169.1 | -18.5 | 32.8 | 0 | 0 | 0 | 113.1 | | |
| 423 | I | 44 | Very low | 36 | Very low | 168 Ų | 168 | 142.2 Ų | 142.2 | 86% | 0.862 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -103.7 | 126 | 177.6 | -163.8 | 169.1 | 0 | 0 | 0 | 110.5 | | |
| 424 | E | 35.4 | Very low | 36.1 | Very low | 188 Ų | 188 | 137.2 Ų | 137.2 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | | | trans | -131.8 | 162.1 | 171.4 | -76.1 | -155.1 | 99.8 | 0 | 0 | 111.7 | | |
| 425 | K | 35.8 | Very low | 36.1 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 151.1 | -163.1 | -68 | 172.2 | 180 | 171.6 | 0 | 113.1 | T427 | K425-T427 PolarHBondContact O-N 3.49Š|
| 426 | P | 42.8 | Very low | 36.5 | Very low | 131 Ų | 131 | 143.8 Ų | 143.8 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 126.5 | 174.5 | 29.7 | -34.2 | 0 | 0 | 0 | 112 | | |
| 427 | T | 36.2 | Very low | 36.6 | Very low | 127 Ų | 127 | 141.3 Ų | 141.3 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -91.7 | 133.7 | 169.7 | -55.6 | 0 | 0 | 0 | 0 | 109.5 | K425 | K425-T427 PolarHBondContact O-N 3.49Š|
| 428 | P | 40.2 | Very low | 37.4 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 136.9 | -173.3 | 27.6 | -35.1 | 0 | 0 | 0 | 113.2 | | |
| 429 | S | 37.8 | Very low | 37.9 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 147.1 | 173.3 | -49.7 | 0 | 0 | 0 | 0 | 111.9 | | |
| 430 | P | 42.5 | Very low | 38.3 | Very low | 111 Ų | 111 | 137.8 Ų | 137.8 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 149.4 | 171 | 30.9 | -34.8 | 0 | 0 | 0 | 111.4 | | |
| 431 | P | 40.7 | Very low | 38.6 | Very low | 121 Ų | 121 | 140.6 Ų | 140.6 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 133.4 | -177.2 | 29.1 | -34.7 | 0 | 0 | 0 | 112.7 | N433 | P431-N433 PolarHBondContact O-N 3.03Š|
| 432 | V | 42.2 | Very low | 38.8 | Very low | 145 Ų | 145 | 141.3 Ų | 141.3 | 88% | 0.879 | 81% | 0.814 | S | S | * | * | | | trans | -89.2 | 91.6 | 173.4 | -178.1 | 0 | 0 | 0 | 0 | 109.3 | G434 | V432-G434 PolarHBondContact O-N 3.36Š|
| 433 | N | 33.8 | Very low | 38.6 | Very low | 152 Ų | 152 | 142.6 Ų | 142.6 | 81% | 0.813 | 81% | 0.814 | S | S | * | * | | | trans | -93.8 | 88.5 | 178.2 | -137 | 72.3 | 0 | 0 | 0 | 110.7 | P431 | P431-N433 PolarHBondContact O-N 3.03Š|
| 434 | G | 37.8 | Very low | 38.1 | Very low | 65 Ų | 65 | 138 Ų | 138 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | | | trans | -84.2 | 133.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | V432 | V432-G434 PolarHBondContact O-N 3.36Š|
| 435 | L | 36.5 | Very low | 38.2 | Very low | 166 Ų | 166 | 137.8 Ų | 137.8 | 87% | 0.869 | 81% | 0.807 | S | S | * | * | | | trans | -131.9 | 128.4 | 161.8 | -75.6 | 175.7 | 0 | 0 | 0 | 109.3 | | |
| 436 | Q | 36.8 | Very low | 38 | Very low | 208 Ų | 208 | 138.7 Ų | 138.7 | 97% | 0.972 | 81% | 0.806 | S | S | * | * | | | trans | -92 | 134.6 | 171.7 | -64.4 | 178.8 | 2.1 | 0 | 0 | 109 | | |
| 437 | G | 35.8 | Very low | 37.7 | Very low | 60 Ų | 60 | 141.9 Ų | 141.9 | 62% | 0.619 | 81% | 0.807 | S | S | * | * | | | trans | -161.7 | 126.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | L439 | G437-L439 PolarHBondContact O-N 3.09Š|
| 438 | P | 45.6 | Very low | 37.7 | Very low | 135 Ų | 135 | 143.3 Ų | 143.3 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79 | 118.1 | -179.1 | 30.4 | -32.5 | 0 | 0 | 0 | 110.8 | | |
| 439 | L | 41.2 | Very low | 37.7 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 128.1 | 171.5 | -70.5 | 175.5 | 0 | 0 | 0 | 110.4 | G437 | G437-L439 PolarHBondContact O-N 3.09Š|
| 440 | P | 39.3 | Very low | 37.6 | Very low | 118 Ų | 118 | 145 Ų | 145 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 134 | 177.9 | 30 | -33.5 | 0 | 0 | 0 | 111.2 | T442 | P440-T442 PolarHBondContact O-N 3.32Š|
| 441 | Y | 32.8 | Very low | 37.5 | Very low | 237 Ų | 237 | 151.2 Ų | 151.2 | 93% | 0.929 | 81% | 0.813 | S | S | * | * | | | trans | -70.9 | 114.8 | 172.6 | -78.4 | -92.6 | 0 | 0 | 0 | 110.7 | | |
| 442 | T | 41 | Very low | 37.4 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -94.7 | 147.5 | 162.9 | -173.3 | 0 | 0 | 0 | 0 | 110.5 | P440 | P440-T442 PolarHBondContact O-N 3.32Š|
| 443 | N | 33.2 | Very low | 37 | Very low | 151 Ų | 151 | 151.9 Ų | 151.9 | 81% | 0.807 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 126.9 | -175.3 | -105.4 | -90.9 | 0 | 0 | 0 | 111.2 | | |
| 444 | G | 32.6 | Very low | 37.3 | Very low | 72 Ų | 72 | 151.6 Ų | 151.6 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 121.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | | |
| 445 | H | 38.2 | Very low | 37.2 | Very low | 182 Ų | 182 | 155.8 Ų | 155.8 | 84% | 0.843 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 135.6 | 169 | -76.7 | -95.8 | 0 | 0 | 0 | 110.8 | F447 | H445-F447 PolarHBondContact O-N 3.12Š|
| 446 | Y | 30.6 | Very low | 37.5 | Very low | 212 Ų | 212 | 153.7 Ų | 153.7 | 83% | 0.831 | 80% | 0.804 | S | S | * | * | | | trans | -81.2 | 97.2 | -170.6 | -165.4 | -86.3 | 0 | 0 | 0 | 111.8 | | |
| 447 | F | 37.9 | Very low | 37.6 | Very low | 198 Ų | 198 | 150.1 Ų | 150.1 | 87% | 0.868 | 80% | 0.797 | S | S | * | * | | | trans | -83.7 | 135 | 169.7 | -106.9 | -90.3 | 0 | 0 | 0 | 111.3 | H445 | H445-F447 PolarHBondContact O-N 3.12Š|
| 448 | Q | 35.8 | Very low | 37.8 | Very low | 158 Ų | 158 | 152.2 Ų | 152.2 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | | | trans | -78.8 | 147.7 | 179.4 | -68.2 | -168.7 | -5.7 | 0 | 0 | 112.5 | L450 | Q448-L450 PolarHBondContact O-N 3.14Š|
| 449 | P | 39.3 | Very low | 37.3 | Very low | 99 Ų | 99 | 152.2 Ų | 152.2 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | | | trans | -77 | 112.9 | 176.1 | 31.1 | -33.6 | 0 | 0 | 0 | 111.5 | W451 | P449-W451 VanDerWaalsContact C-N 3.3Å; P449-W451 PolarHBondContact O-N 3.31Å |
| 450 | L | 37.2 | Very low | 36.8 | Very low | 165 Ų | 165 | 150.7 Ų | 150.7 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -72.7 | 77.8 | 173.8 | -77.6 | 164.5 | 0 | 0 | 0 | 111.8 | Q448 N452 | Q448-L450 PolarHBondContact O-N 3.14Å; L450-N452 VanDerWaalsContact C-N 3.28Å; L450-N452 PolarHBondContact O-N 3.36Å |
| 451 | W | 38.8 | Very low | 37 | Very low | 242 Ų | 242 | 152.6 Ų | 152.6 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | | | trans | -78.5 | 73.6 | 171.4 | -84.2 | 40.1 | 0 | 0 | 0 | 111.2 | P449 | P449-W451 VanDerWaalsContact C-N 3.3Å; P449-W451 PolarHBondContact O-N 3.31Å |
| 452 | N | 39.8 | Very low | 37.1 | Very low | 128 Ų | 128 | 146.9 Ų | 146.9 | 68% | 0.684 | 79% | 0.793 | S | S | * | * | | | trans | -148.3 | 71.8 | 166.6 | -159.3 | 28.1 | 0 | 0 | 0 | 112.3 | L450 | L450-N452 VanDerWaalsContact C-N 3.28Å; L450-N452 PolarHBondContact O-N 3.36Å |
| 453 | N | 33.2 | Very low | 37.1 | Very low | 153 Ų | 153 | 146.9 Ų | 146.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | | | trans | -140.8 | 107.8 | 166.4 | -86 | -68.8 | 0 | 0 | 0 | 108.9 | L455 | N453-L455 PolarHBondContact O-N 3.15Š|
| 454 | I | 39.2 | Very low | 37.1 | Very low | 146 Ų | 146 | 143.1 Ų | 143.1 | 75% | 0.749 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 116.1 | 171.2 | -65.7 | 73 | 0 | 0 | 0 | 106.7 | | |
| 455 | L | 37.4 | Very low | 37.3 | Very low | 153 Ų | 153 | 145.1 Ų | 145.1 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 126.9 | 171.1 | -81.6 | 163.4 | 0 | 0 | 0 | 109.6 | N453 T457 | N453-L455 PolarHBondContact O-N 3.15Å; L455-T457 PolarHBondContact O-N 2.99Å |
| 456 | P | 42.9 | Very low | 37.3 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 79% | 0.786 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -64 | 125.9 | 173.6 | -21.7 | 33.7 | 0 | 0 | 0 | 111.4 | | |
| 457 | T | 37.1 | Very low | 37.5 | Very low | 134 Ų | 134 | 142.5 Ų | 142.5 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 126.1 | 170.4 | 48 | 0 | 0 | 0 | 0 | 110.5 | L455 | L455-T457 PolarHBondContact O-N 2.99Š|
| 458 | P | 41.6 | Very low | 37.5 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 164.3 | 165.8 | 32.8 | -34.2 | 0 | 0 | 0 | 111.9 | | |
| 459 | N | 34.1 | Very low | 37.2 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | | | trans | 41.9 | 96.7 | 161.8 | 71.3 | -70.5 | 0 | 0 | 0 | 119.6 | | |
| 460 | S | 32.1 | Very low | 37 | Very low | 123 Ų | 123 | 139.9 Ų | 139.9 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | | | trans | -152.1 | 113.8 | 134.7 | -77.2 | 0 | 0 | 0 | 0 | 110 | | |
| 461 | D | 43.4 | Very low | 37.2 | Very low | 158 Ų | 158 | 137.8 Ų | 137.8 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | | | trans | -69 | 141.6 | 173.4 | -66.3 | -83.1 | 0 | 0 | 0 | 111.8 | | |
| 462 | S | 34.7 | Very low | 36.7 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | | | trans | -159.7 | 105.1 | 161.8 | -79.3 | 0 | 0 | 0 | 0 | 109.7 | G464 | S462-G464 PolarHBondContact O-N 3.41Š|
| 463 | S | 41.2 | Very low | 36.4 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 94% | 0.944 | 80% | 0.8 | S | S | * | * | | | trans | -63.9 | 115.4 | 175.5 | -53.1 | 0 | 0 | 0 | 0 | 110.6 | | |
| 464 | G | 32.1 | Very low | 36.3 | Very low | 71 Ų | 71 | 134.2 Ų | 134.2 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | | | trans | -107.5 | 122.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | S462 | S462-G464 PolarHBondContact O-N 3.41Š|
| 465 | S | 37.8 | Very low | 35.9 | Very low | 115 Ų | 115 | 131 Ų | 131 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | | | trans | -59.4 | 135.5 | -178 | -167.1 | 0 | 0 | 0 | 0 | 112.1 | | |
| 466 | Q | 36.3 | Very low | 35.7 | Very low | 192 Ų | 192 | 132.5 Ų | 132.5 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | | | trans | -107.3 | 101.6 | 161 | -71.6 | -167.3 | 9.1 | 0 | 0 | 108.8 | | |
| 467 | D | 36.6 | Very low | 35.5 | Very low | 147 Ų | 147 | 132.5 Ų | 132.5 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | | | trans | -97.1 | 110.7 | 169.9 | -162.7 | -37.8 | 0 | 0 | 0 | 107.8 | | |
| 468 | L | 36.5 | Very low | 35.4 | Very low | 173 Ų | 173 | 133.5 Ų | 133.5 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | | | trans | -162.7 | 137 | 173.5 | -111.6 | 161 | 0 | 0 | 0 | 109.7 | | |
| 469 | A | 29.7 | Very low | 35 | Very low | 81 Ų | 81 | 132.3 Ų | 132.3 | 67% | 0.669 | 82% | 0.818 | S | S | * | * | | | trans | -108.1 | 133.7 | -155.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | | |
| 470 | M | 36.1 | Very low | 34.9 | Very low | 145 Ų | 145 | 130.6 Ų | 130.6 | 71% | 0.714 | 82% | 0.823 | S | S | * | * | | | trans | 69.7 | 157.8 | 151.6 | -61.1 | -50.3 | -80.2 | 0 | 0 | 116.8 | F472 | M470-F472 HydrophobicContact CE-CD2 3.44Å; M470-F472 VanDerWaalsContact CE-CD2 3.44Å; M470-F472 HydrophobicContact CE-CE2 3.5Å |
| 471 | P | 39.8 | Very low | 35.6 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | | | cis | -126.7 | 179.9 | 22 | 42 | -26 | 0 | 0 | 0 | 117.7 | | |
| 472 | F | 28.5 | Very low | 35.3 | Very low | 170 Ų | 170 | 129.9 Ų | 129.9 | 75% | 0.746 | 82% | 0.815 | S | S | * | * | | | trans | -54.3 | 142 | 176.7 | -80.9 | -107.1 | 0 | 0 | 0 | 114 | M470 | M470-F472 HydrophobicContact CE-CD2 3.44Å; M470-F472 VanDerWaalsContact CE-CD2 3.44Å; M470-F472 HydrophobicContact CE-CE2 3.5Å |
| 473 | H | 35.1 | Very low | 35.1 | Very low | 198 Ų | 198 | 130.7 Ų | 130.7 | 92% | 0.917 | 81% | 0.81 | S | S | * | * | | | | -152.5 | 142.7 | 116.9 | -94.2 | -71.9 | 0 | 0 | 0 | 109.2 | | |
| 474 | G | 30.5 | Very low | 34.5 | Very low | 81 Ų | 81 | 129.1 Ų | 129.1 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | | | trans | -88.4 | 144.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | | |
| 475 | G | 30.2 | Very low | 34.4 | Very low | 78 Ų | 78 | 132.8 Ų | 132.8 | 80% | 0.804 | 81% | 0.806 | S | S | * | * | | | trans | -155.4 | 123.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 476 | Q | 33.7 | Very low | 34.1 | Very low | 185 Ų | 185 | 130.7 Ų | 130.7 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -84.1 | 141.1 | -170.6 | -162.5 | 176.4 | -2 | 0 | 0 | 111.4 | | |
| 477 | P | 38.6 | Very low | 33.7 | Very low | 120 Ų | 120 | 124.8 Ų | 124.8 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | | | trans | -74.1 | 128.6 | 169.8 | 30.2 | -33.1 | 0 | 0 | 0 | 110.5 | G479 | P477-G479 PolarHBondContact O-N 3.45Š|
| 478 | T | 34.7 | Very low | 33.6 | Very low | 155 Ų | 155 | 123.3 Ų | 123.3 | 95% | 0.951 | 79% | 0.789 | S | S | * | * | | | trans | -85.2 | 105.9 | 175.6 | 25.5 | 0 | 0 | 0 | 0 | 111.4 | | |
| 479 | G | 33.5 | Very low | 33.5 | Very low | 78 Ų | 78 | 123.5 Ų | 123.5 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | | | trans | -159.6 | 115.9 | 171 | 0 | 0 | 0 | 0 | 0 | 109.8 | P477 | P477-G479 PolarHBondContact O-N 3.45Š|
| 480 | A | 33.1 | Very low | 33.6 | Very low | 99 Ų | 99 | 130.9 Ų | 130.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | | | trans | -134.5 | 173 | -171.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | | |
| 481 | P | 46.6 | Very low | 33.2 | Very low | 112 Ų | 112 | 136 Ų | 136 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | | | cis | -122 | 179.4 | -16.8 | 35.1 | -19 | 0 | 0 | 0 | 112.3 | | |
| 482 | L | 35.9 | Very low | 32.8 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 81% | 0.806 | 81% | 0.812 | S | S | * | * | | | | 166.7 | 125.6 | 127.2 | -87.7 | 162.8 | 0 | 0 | 0 | 113.1 | | |
| 483 | D | 30.8 | Very low | 32.9 | Very low | 135 Ų | 135 | 130.7 Ų | 130.7 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | | | trans | 47.6 | 137.5 | 149.1 | -81.5 | -75.7 | 0 | 0 | 0 | 128.2 | | |
| 484 | C | 28 | Very low | 32.7 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 69% | 0.689 | 81% | 0.813 | S | S | * | * | | | trans | 74.3 | 112.7 | 139.2 | -75.9 | 0 | 0 | 0 | 0 | 124.2 | | |
| 485 | V | 30.9 | Very low | 32.7 | Very low | 148 Ų | 148 | 125.9 Ų | 125.9 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | | | trans | 67.6 | 141.2 | 139.5 | -173.3 | 0 | 0 | 0 | 0 | 117.8 | | |
| 486 | G | 30.8 | Very low | 33.8 | Very low | 71 Ų | 71 | 127.9 Ų | 127.9 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | | | cis | 160.7 | 151.6 | -6.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 487 | G | 28.6 | Very low | 33.7 | Very low | 67 Ų | 67 | 124.1 Ų | 124.1 | 69% | 0.691 | 80% | 0.8 | S | S | * | * | | | trans | 100 | 124.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 488 | T | 34 | Very low | 33.4 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 72% | 0.718 | 81% | 0.805 | S | S | * | * | | | | 66.8 | 139.8 | 68.9 | 65.2 | 0 | 0 | 0 | 0 | 113.4 | | |
| 489 | H | 35.3 | Very low | 33.6 | Very low | 176 Ų | 176 | 125 Ų | 125 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | | | cis | -144.4 | 169 | 25.6 | -55.5 | -102.5 | 0 | 0 | 0 | 113.1 | | |
| 490 | Y | 31.4 | Very low | 33.6 | Very low | 236 Ų | 236 | 127.5 Ų | 127.5 | 93% | 0.925 | 79% | 0.792 | S | S | * | * | | | trans | -104.4 | 147.2 | 172.3 | -51.7 | -98.6 | 0 | 0 | 0 | 112.2 | | |
| 491 | R | 28.4 | Very low | 33.5 | Very low | 254 Ų | 254 | 130.1 Ų | 130.1 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | | | trans | -159.6 | 150.5 | 140.3 | -136.7 | 178.5 | -172.7 | -154.5 | -0.6 | 113.3 | | |
| 492 | A | 31.4 | Very low | 33 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | | | trans | -141.2 | 163.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | | |
| 493 | G | 30.7 | Very low | 32.9 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 78% | 0.784 | 79% | 0.791 | S | S | * | * | | | trans | 163.6 | 119.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 118.1 | | |
| 494 | A | 29.9 | Very low | 33.2 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 90% | 0.901 | 80% | 0.796 | S | S | * | * | | | trans | 68.7 | 140.3 | 147.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | | |
| 495 | G | 31.3 | Very low | 33.4 | Very low | 69 Ų | 69 | 133.2 Ų | 133.2 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | | | trans | -105.5 | -137.1 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | | |
| 496 | P | 51.9 | Low | 33.6 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | | | cis | -142.8 | -167.7 | 1 | 43.9 | -24.6 | 0 | 0 | 0 | 115.8 | | |
| 497 | S | 32 | Very low | 33.7 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | | | trans | 78.3 | 131.7 | 146.6 | 73.3 | 0 | 0 | 0 | 0 | 123.4 | | |
| 498 | S | 32.7 | Very low | 33.8 | Very low | 129 Ų | 129 | 142.5 Ų | 142.5 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | | | trans | -175.5 | 169.8 | 138.6 | -81.9 | 0 | 0 | 0 | 0 | 110.7 | | |
| 499 | Q | 38.3 | Very low | 34.2 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | | | trans | -132.3 | 170.8 | -159.1 | -55.7 | -178.4 | -16.5 | 0 | 0 | 116.8 | | |
| 500 | N | 33.7 | Very low | 34 | Very low | 130 Ų | 130 | 140.4 Ų | 140.4 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | | | trans | 72.6 | 125.2 | 148.7 | -57.1 | -34.6 | 0 | 0 | 0 | 121.6 | | |
| 501 | N | 30.4 | Very low | 34.1 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 82% | 0.824 | 78% | 0.778 | S | S | * | * | | | | -165 | 169.6 | 97.8 | -128.2 | -49.3 | 0 | 0 | 0 | 114.2 | | |
| 502 | V | 37.4 | Very low | 34.3 | Very low | 113 Ų | 113 | 127.6 Ų | 127.6 | 69% | 0.685 | 77% | 0.772 | S | S | * | * | | | trans | -149.2 | -179.9 | -175.5 | -67.7 | 0 | 0 | 0 | 0 | 113.1 | | |
| 503 | M | 34.1 | Very low | 34.4 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 83% | 0.833 | 77% | 0.765 | S | S | * | * | | | trans | 68.7 | 149.6 | -176 | -95.3 | 80.5 | 81.4 | 0 | 0 | 114.6 | | |
| 504 | Q | 36.1 | Very low | 34.5 | Very low | 176 Ų | 176 | 135.9 Ų | 135.9 | 82% | 0.822 | 77% | 0.771 | S | S | * | * | | | cis | -140 | 174.9 | 25.4 | -89.3 | -158 | 59.4 | 0 | 0 | 110.6 | | |
| 505 | T | 33.2 | Very low | 34.6 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 67% | 0.669 | 76% | 0.759 | S | S | * | * | | | cis | -162.8 | -175.1 | -9.7 | -95 | 0 | 0 | 0 | 0 | 108.6 | | |
| 506 | M | 34.6 | Very low | 34.6 | Very low | 159 Ų | 159 | 138.6 Ų | 138.6 | 78% | 0.783 | 76% | 0.757 | S | S | * | * | | | trans | -88.9 | 167.2 | -174.7 | -63.6 | 178.4 | 169 | 0 | 0 | 116.1 | | |
| 507 | D | 32.9 | Very low | 33.4 | Very low | 140 Ų | 140 | 138.5 Ų | 138.5 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | | | | 154.5 | 144.6 | 119.7 | -86.3 | -41.6 | 0 | 0 | 0 | 112.8 | | |
| 508 | Y | 30.2 | Very low | 33.4 | Very low | 183 Ų | 183 | 142 Ų | 142 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | | | cis | -164.3 | 145.7 | -17.5 | -159.5 | -131.9 | 0 | 0 | 0 | 110.7 | | |
| 509 | L | 43.2 | Very low | 33.2 | Very low | 135 Ų | 135 | 144.4 Ų | 144.4 | 71% | 0.707 | 75% | 0.749 | S | S | * | * | | | trans | 60.6 | 138.6 | 170 | -62.5 | 170.4 | 0 | 0 | 0 | 118.5 | | |
| 510 | S | 30 | Very low | 33 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 74% | 0.737 | S | S | * | * | | | cis | 92.4 | 134.6 | 37.3 | -165.9 | 0 | 0 | 0 | 0 | 113.1 | | |
| 511 | G | 32.8 | Very low | 32.9 | Very low | 65 Ų | 65 | 143.3 Ų | 143.3 | 67% | 0.67 | 74% | 0.74 | S | S | * | * | | | cis | -129.1 | -164.2 | -1.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 512 | D | 34.2 | Very low | 32.9 | Very low | 155 Ų | 155 | 140.9 Ų | 140.9 | 83% | 0.829 | 74% | 0.735 | S | S | * | * | | | cis | -150.2 | 179.8 | 17.1 | -137.2 | -56.9 | 0 | 0 | 0 | 113.8 | | |
| 513 | F | 32.8 | Very low | 32.9 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 70% | 0.697 | 75% | 0.746 | S | S | * | * | | | trans | -59.8 | 153.8 | -173.9 | -85.7 | -110.6 | 0 | 0 | 0 | 114.2 | Q515 | F513-Q515 HydrophobicContact CD1-CG 4.25Å; F513-Q515 HydrophobicContact CE1-CG 4.21Å |
| 514 | Q | 33.9 | Very low | 32.9 | Very low | 193 Ų | 193 | 141 Ų | 141 | 90% | 0.902 | 75% | 0.745 | S | S | * | * | | | | -148.6 | 141.4 | 64.3 | -146.6 | -175.3 | 0.4 | 0 | 0 | 117.5 | | |
| 515 | Q | 31.7 | Very low | 33.1 | Very low | 140 Ų | 140 | 139 Ų | 139 | 65% | 0.654 | 74% | 0.744 | S | S | * | * | | | trans | -73.4 | 167.9 | 165.1 | -76.6 | -178.1 | -14.8 | 0 | 0 | 112.1 | F513 | F513-Q515 HydrophobicContact CD1-CG 4.25Å; F513-Q515 HydrophobicContact CE1-CG 4.21Å |
| 516 | S | 30.8 | Very low | 33.4 | Very low | 95 Ų | 95 | 141.7 Ų | 141.7 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | | | cis | -172.9 | -179.6 | -10.1 | -98.9 | 0 | 0 | 0 | 0 | 110.1 | | |
| 517 | C | 27.4 | Very low | 33.3 | Very low | 118 Ų | 118 | 138 Ų | 138 | 80% | 0.797 | 76% | 0.756 | S | S | * | * | | | trans | 85.4 | 154 | 152.1 | -67.1 | 0 | 0 | 0 | 0 | 119.4 | | |
| 518 | F | 31.2 | Very low | 33.5 | Very low | 179 Ų | 179 | 141 Ų | 141 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | | | cis | -174.3 | 170.3 | -32.9 | -152.7 | -111.6 | 0 | 0 | 0 | 108.3 | | |
| 519 | R | 29 | Very low | 33.7 | Very low | 180 Ų | 180 | 138.7 Ų | 138.7 | 68% | 0.679 | 77% | 0.767 | S | S | * | * | | | trans | 71.2 | 109.3 | 160.1 | -106 | 174 | -170.7 | -73 | -19.5 | 121.3 | | |
| 520 | E | 33.2 | Very low | 33.1 | Very low | 112 Ų | 112 | 140.7 Ų | 140.7 | 52% | 0.523 | 77% | 0.773 | S | S | . | * | | | | 67.8 | 139.9 | 113.7 | -80.4 | 178.4 | 41.7 | 0 | 0 | 125.5 | | |
| 521 | Q | 32.2 | Very low | 33.6 | Very low | 162 Ų | 162 | 145.7 Ų | 145.7 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | | | trans | 70.1 | 150.6 | 138.8 | -74.6 | -164.4 | 74.9 | 0 | 0 | 120.2 | | |
| 522 | S | 30.5 | Very low | 33.9 | Very low | 102 Ų | 102 | 148 Ų | 148 | 71% | 0.713 | 78% | 0.777 | S | S | * | * | | | cis | -160 | -178 | -12.3 | 49.1 | 0 | 0 | 0 | 0 | 112.3 | | |
| 523 | M | 36.1 | Very low | 34.3 | Very low | 187 Ų | 187 | 146.3 Ų | 146.3 | 92% | 0.921 | 78% | 0.775 | S | S | * | * | | | trans | -66.5 | 147.4 | -174.7 | -57.4 | -142.4 | -60.7 | 0 | 0 | 116.6 | | |
| 524 | A | 35.2 | Very low | 34.6 | Very low | 97 Ų | 97 | 147.4 Ų | 147.4 | 80% | 0.802 | 78% | 0.784 | S | S | * | * | | | trans | 172.8 | 160.1 | 146.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 525 | V | 39.1 | Very low | 34.4 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | | | cis | -159.3 | 177 | -41.6 | 110.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 526 | L | 39.5 | Very low | 34.5 | Very low | 167 Ų | 167 | 150.2 Ų | 150.2 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | | | trans | -42.4 | 150.8 | -173.8 | -70.9 | 71.7 | 0 | 0 | 0 | 118.2 | | |
| 527 | G | 33 | Very low | 34.5 | Very low | 80 Ų | 80 | 150 Ų | 150 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | | | trans | -167 | 90.5 | 161.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 528 | K | 36.9 | Very low | 35.3 | Very low | 203 Ų | 203 | 149.8 Ų | 149.8 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | -81.2 | 160.8 | 160.1 | -65.6 | 175.3 | -179.6 | 176.3 | 0 | 108 | | |
| 529 | V | 35.2 | Very low | 35.3 | Very low | 136 Ų | 136 | 148.8 Ų | 148.8 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | | | | 174.7 | 133.9 | 81.4 | 157.7 | 0 | 0 | 0 | 0 | 110.6 | | |
| 530 | H | 30.3 | Very low | 36.1 | Very low | 176 Ų | 176 | 145.6 Ų | 145.6 | 82% | 0.815 | 79% | 0.794 | S | S | * | * | | | trans | 63.9 | 159.1 | 148.9 | -148.6 | -106.5 | 0 | 0 | 0 | 123.1 | | |
| 531 | R | 40.1 | Very low | 36.1 | Very low | 220 Ų | 220 | 145.6 Ų | 145.6 | 83% | 0.83 | 80% | 0.802 | S | S | * | * | | | trans | -151.5 | 130.8 | -179.2 | -174 | -175.1 | -164.3 | 156.7 | 5.5 | 110.7 | | |
| 532 | P | 40 | Very low | 36.3 | Very low | 112 Ų | 112 | 144.3 Ų | 144.3 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | | | trans | -88.6 | 169.7 | 176.1 | -6.8 | 26 | 0 | 0 | 0 | 114.4 | | |
| 533 | P | 42.1 | Very low | 36.4 | Very low | 120 Ų | 120 | 145.1 Ų | 145.1 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | | | trans | -110.6 | 165.8 | -167.7 | 41.1 | -34.6 | 0 | 0 | 0 | 117.1 | | |
| 534 | M | 39.1 | Very low | 36.5 | Very low | 182 Ų | 182 | 147 Ų | 147 | 90% | 0.897 | 80% | 0.803 | S | S | * | * | | | trans | 28.2 | 130.6 | 155 | -80.4 | -168.3 | 166.2 | 0 | 0 | 122.4 | | |
| 535 | N | 29.4 | Very low | 36.5 | Very low | 166 Ų | 166 | 150.1 Ų | 150.1 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | | | | -153.8 | -168.4 | 120.6 | -122.3 | -68.5 | 0 | 0 | 0 | 114.3 | | |
| 536 | R | 34.1 | Very low | 36.4 | Very low | 227 Ų | 227 | 151.5 Ų | 151.5 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | | | trans | -138.8 | 152.3 | -143.8 | -158.1 | -172.3 | -155 | 138.3 | -0.1 | 115 | | |
| 537 | A | 30.2 | Very low | 36.4 | Very low | 89 Ų | 89 | 151.8 Ų | 151.8 | 74% | 0.736 | 81% | 0.805 | S | S | * | * | | | trans | 70.2 | 172 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | | |
| 538 | P | 44.4 | Very low | 36.8 | Very low | 115 Ų | 115 | 154.8 Ų | 154.8 | 75% | 0.747 | 80% | 0.8 | S | S | * | * | | | cis | -133.7 | 173.8 | -27.8 | 27.8 | -6.9 | 0 | 0 | 0 | 116.1 | | |
| 539 | E | 32.6 | Very low | 36.8 | Very low | 158 Ų | 158 | 153 Ų | 153 | 74% | 0.738 | 80% | 0.795 | S | S | * | * | | | trans | 64.2 | 170.3 | 153.2 | -83.1 | -85.7 | 95.1 | 0 | 0 | 118.7 | | |
| 540 | P | 44.4 | Very low | 37 | Very low | 112 Ų | 112 | 155.4 Ų | 155.4 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | | | cis | -124.2 | -168 | -0.1 | 42.8 | -27.1 | 0 | 0 | 0 | 116.4 | | |
| 541 | T | 34.5 | Very low | 38.3 | Very low | 113 Ų | 113 | 153 Ų | 153 | 69% | 0.693 | 80% | 0.797 | S | S | * | * | | | trans | -85.2 | 170.8 | -170.8 | 52.3 | 0 | 0 | 0 | 0 | 118.3 | | |
| 542 | D | 34.8 | Very low | 38.6 | Very low | 134 Ų | 134 | 145.3 Ų | 145.3 | 72% | 0.717 | 79% | 0.786 | S | S | * | * | | | trans | 90.6 | 116.4 | 147.9 | -139.7 | -34.7 | 0 | 0 | 0 | 120 | | |
| 543 | S | 33.4 | Very low | 38.8 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 84% | 0.839 | 80% | 0.795 | S | S | * | * | | | trans | -174.6 | 162.8 | 130.7 | 38 | 0 | 0 | 0 | 0 | 110.8 | | |
| 544 | R | 37.7 | Very low | 38.9 | Very low | 227 Ų | 227 | 160.5 Ų | 160.5 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | | | trans | -106.8 | 155.8 | -161.3 | -70 | 175.8 | 172.9 | 168.9 | -3.4 | 115.2 | | |
| 545 | N | 36 | Very low | 38.8 | Very low | 161 Ų | 161 | 159.4 Ų | 159.4 | 86% | 0.861 | 81% | 0.811 | S | S | * | * | | | trans | -35.9 | 135.3 | 163.4 | -73.4 | -92.6 | 0 | 0 | 0 | 114.4 | | |
| 546 | L | 37.5 | Very low | 39.3 | Very low | 164 Ų | 164 | 159.1 Ų | 159.1 | 86% | 0.859 | 81% | 0.807 | S | S | * | * | | | trans | -130 | 141.3 | 153 | -77.6 | 175.8 | 0 | 0 | 0 | 109.7 | | |
| 547 | H | 39.3 | Very low | 39.6 | Very low | 173 Ų | 173 | 155.3 Ų | 155.3 | 80% | 0.801 | 80% | 0.804 | S | S | * | * | | | trans | -119.3 | 111.7 | -169.2 | -179.7 | 94 | 0 | 0 | 0 | 108.8 | | |
| 548 | I | 39.9 | Very low | 40.2 | Very low | 143 Ų | 143 | 159.2 Ų | 159.2 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -88.9 | 126.1 | -176.9 | -73.1 | 65.2 | 0 | 0 | 0 | 109 | | |
| 549 | Q | 37.8 | Very low | 39.9 | Very low | 166 Ų | 166 | 161.9 Ų | 161.9 | 78% | 0.776 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 148.9 | 177.1 | -65 | 175.5 | -10.5 | 0 | 0 | 111.4 | | |
| 550 | H | 39.9 | Very low | 40.4 | Very low | 185 Ų | 185 | 162.2 Ų | 162.2 | 86% | 0.856 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 135.4 | 163.6 | -72.7 | -86.5 | 0 | 0 | 0 | 110.3 | | |
| 551 | P | 57.4 | Low | 40.1 | Very low | 125 Ų | 125 | 165.8 Ų | 165.8 | 81% | 0.812 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -77 | 143.8 | 173.8 | 31.8 | -33.9 | 0 | 0 | 0 | 111.6 | | |
| 552 | G | 46.4 | Very low | 40.6 | Very low | 59 Ų | 59 | 169.8 Ų | 169.8 | 61% | 0.608 | 83% | 0.833 | S | S | * | * | | | trans | -101.2 | -159.3 | 164.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | | |
| 553 | Y | 44.3 | Very low | 41 | Very low | 236 Ų | 236 | 172.8 Ų | 172.8 | 93% | 0.925 | 84% | 0.843 | S | S | * | * | | | trans | 73.8 | 138.8 | -168.4 | -58.1 | -81 | 0 | 0 | 0 | 114.2 | | |
| 554 | R | 42.9 | Very low | 41.7 | Very low | 315 Ų | 315 | 177.6 Ų | 177.6 | 100% | 1.189 | 84% | 0.843 | S | S | * | * | | | cis | -115.6 | 0 | -0.5 | -79.4 | -171.3 | 168.8 | -132.5 | -0.5 | 112 | | |