| 1 | M | 64.4 | Low | 82 | Confident | 228 Ų | 228 | 137.5 Ų | 137.5 | 100% | 1.123 | 73% | 0.73 | S | S | * | * | | | | 0 | 117.2 | 0 | -60.8 | -61.5 | -147.3 | 0 | 0 | 106.4 | | |
| 2 | S | 71.7 | Confident | 82.6 | Confident | 127 Ų | 127 | 139 Ų | 139 | 89% | 0.888 | 73% | 0.725 | S | S | * | * | | | trans | -100.3 | 106.3 | 176.8 | -61.3 | 0 | 0 | 0 | 0 | 108.1 | K4 | S2-K4 VanDerWaalsContact O-N 3.14Å; S2-K4 PolarHBondContact O-N 2.86Å |
| 3 | D | 83 | Confident | 83.2 | Confident | 155 Ų | 155 | 137.2 Ų | 137.2 | 83% | 0.829 | 71% | 0.708 | S | S | * | * | | | trans | -73 | 103.2 | 175 | -60.7 | -53 | 0 | 0 | 0 | 108.6 | | |
| 4 | K | 83.7 | Confident | 83.7 | Confident | 191 Ų | 191 | 133 Ų | 133 | 83% | 0.83 | 69% | 0.688 | S | S | * | * | | | trans | -72.7 | 130.6 | 171.8 | -170 | 89.4 | 105.9 | -174.9 | 0 | 107.5 | S2 D6 | S2-K4 VanDerWaalsContact O-N 3.14Å; S2-K4 PolarHBondContact O-N 2.86Å; K4-D6 PolarHBondContact O-N 2.72Å |
| 5 | P | 84.2 | Confident | 84.2 | Confident | 100 Ų | 100 | 137.7 Ų | 137.7 | 65% | 0.649 | 69% | 0.693 | S | S | * | * | | | trans | -61.7 | 139.1 | 175.1 | 26.2 | -34.1 | 0 | 0 | 0 | 110.2 | L7 | P5-L7 PolarHBondContact O-N 2.96Š|
| 6 | D | 84.9 | Confident | 84.6 | Confident | 115 Ų | 115 | 134.4 Ų | 134.4 | 62% | 0.615 | 69% | 0.687 | S | S | * | * | | | trans | -72.8 | 115.9 | 175.4 | -175.9 | 16.9 | 0 | 0 | 0 | 110 | K4 S8 | K4-D6 PolarHBondContact O-N 2.72Å; D6-S8 VanDerWaalsContact CG-OG 3.27Å; D6-S8 WeakPolarHBondContact OD1-CA 3.1Å; D6-S8 WeakPolarHBondContact OD1-CB 3.38Å; D6-S8 PolarHBondContact OD1-N 3.19Å; D6-S8 PolarHBondContact OD1-OG 2.68Å; D6-S8 PolarHBondContact OD2-OG 2.68Å; D6-S8 VanDerWaalsContact C-N 3.31Å |
| 7 | L | 87.6 | Confident | 85 | Confident | 130 Ų | 130 | 136.4 Ų | 136.4 | 68% | 0.681 | 69% | 0.69 | S | S | * | * | | | trans | -87 | -4.1 | 174.6 | -59 | 179.2 | 0 | 0 | 0 | 112.1 | P5 E9 V10 | P5-L7 PolarHBondContact O-N 2.96Å; L7-E9 PolarHBondContact O-N 2.99Å; L7-V10 PolarHBondContact O-N 2.86Å; L7-V10 VanDerWaalsContact O-N 3.09Å |
| 8 | S | 85 | Confident | 85.3 | Confident | 31 Ų | 31 | 135 Ų | 135 | 22% | 0.217 | 68% | 0.684 | C | S | . | * | H | α-helix | trans | -64.2 | -21.8 | -179.2 | 91.4 | 0 | 0 | 0 | 0 | 113 | D6 K12 | D6-S8 VanDerWaalsContact CG-OG 3.27Å; D6-S8 WeakPolarHBondContact OD1-CA 3.1Å; D6-S8 WeakPolarHBondContact OD1-CB 3.38Å; D6-S8 PolarHBondContact OD1-N 3.19Å; D6-S8 PolarHBondContact OD1-OG 2.68Å; D6-S8 PolarHBondContact OD2-OG 2.68Å; D6-S8 VanDerWaalsContact C-N 3.31Å; S8-K12 WeakPolarHBondContact O-CD 3.24Å; S8-K12 VanDerWaalsContact OG-NZ 3.15Å; S8-K12 PolarHBondContact OG-NZ 2.64Å; S8-K12 VanDerWaalsContact O-N 3.16Å; S8-K12 PolarHBondContact O-N 2.93Å; S8-K12 WeakPolarHBondContact O-CG 3.27Å; S8-K12 VanDerWaalsContact O-CG 3.3Å; S8-K12 WeakPolarHBondContact O-CB 3.45Å |
| 9 | E | 83.9 | Confident | 85.5 | Confident | 146 Ų | 146 | 137.9 Ų | 137.9 | 68% | 0.682 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -67.1 | -39 | 173.5 | -172.1 | 175.2 | 170 | 0 | 0 | 112.1 | L7 E11 K12 F13 | L7-E9 PolarHBondContact O-N 2.99Å; E9-E11 VanDerWaalsContact C-N 3.33Å; E9-E11 PolarHBondContact O-N 3.09Å; E9-K12 PolarHBondContact O-N 2.95Å; E9-F13 WeakPolarHBondContact O-CB 3.42Å; E9-F13 PolarHBondContact O-N 2.89Å |
| 10 | V | 87.4 | Confident | 85.8 | Confident | 116 Ų | 116 | 140.8 Ų | 140.8 | 70% | 0.703 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -67.6 | -37.3 | 179.4 | -178.8 | 0 | 0 | 0 | 0 | 110.7 | L7 | L7-V10 PolarHBondContact O-N 2.86Å; L7-V10 VanDerWaalsContact O-N 3.09Å |
| 11 | E | 86.7 | Confident | 85.9 | Confident | 174 Ų | 174 | 139.5 Ų | 139.5 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -71.2 | -35.2 | 178.4 | -168.7 | 174.7 | -171.5 | 0 | 0 | 112.5 | E9 | E9-E11 VanDerWaalsContact C-N 3.33Å; E9-E11 PolarHBondContact O-N 3.09Å |
| 12 | K | 89.3 | Confident | 86.9 | Confident | 155 Ų | 155 | 135.4 Ų | 135.4 | 67% | 0.674 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 1.5 | -179.2 | -62.6 | 165.8 | -168.7 | 158.5 | 0 | 113.5 | S8 E9 D14 | S8-K12 WeakPolarHBondContact O-CD 3.24Å; S8-K12 VanDerWaalsContact OG-NZ 3.15Å; S8-K12 PolarHBondContact OG-NZ 2.64Å; S8-K12 VanDerWaalsContact O-N 3.16Å; S8-K12 PolarHBondContact O-N 2.93Å; S8-K12 WeakPolarHBondContact O-CG 3.27Å; S8-K12 VanDerWaalsContact O-CG 3.3Å; S8-K12 WeakPolarHBondContact O-CB 3.45Å; E9-K12 PolarHBondContact O-N 2.95Å; K12-D14 PolarHBondContact O-N 3.27Å |
| 13 | F | 89.8 | Confident | 87.5 | Confident | 115 Ų | 115 | 134.7 Ų | 134.7 | 50% | 0.504 | 67% | 0.672 | S | S | . | * | | | trans | -68.3 | 114.6 | -175.8 | -177.8 | -97.8 | 0 | 0 | 0 | 111.5 | E9 R15 | E9-F13 WeakPolarHBondContact O-CB 3.42Å; E9-F13 PolarHBondContact O-N 2.89Å; F13-R15 HydrophobicContact CD1-CG 4.47Å; F13-R15 HydrophobicContact CE1-CG 4.49Å; F13-R15 PolarHBondContact O-N 3.09Å |
| 14 | D | 90.9 | Very high | 87.5 | Confident | 79 Ų | 79 | 133.3 Ų | 133.3 | 42% | 0.422 | 66% | 0.661 | S | S | . | * | | | trans | -82.3 | 112.5 | 176.6 | -176.5 | 3.5 | 0 | 0 | 0 | 111.5 | K12 S16 K17 | K12-D14 PolarHBondContact O-N 3.27Å; D14-S16 PolarHBondContact OD2-OG 3.17Å; D14-S16 VanDerWaalsContact OD1-OG 3.11Å; D14-S16 PolarHBondContact OD1-OG 3.27Å; D14-S16 PolarHBondContact OD1-N 3.36Å; D14-S16 WeakPolarHBondContact OD1-CB 3.45Å; D14-S16 VanDerWaalsContact O-N 3.14Å; D14-S16 PolarHBondContact O-N 2.69Å; D14-K17 HydrophobicContact CB-CG 4.34Å; D14-K17 WeakPolarHBondContact O-CB 3.31Å; D14-K17 PolarHBondContact O-N 3.22Å; D14-K17 VanDerWaalsContact O-N 3.13Å |
| 15 | R | 91.1 | Very high | 87.3 | Confident | 204 Ų | 204 | 131.4 Ų | 131.4 | 77% | 0.77 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -61.6 | -17.6 | 176.4 | -70.7 | -170.9 | -89.6 | -173.3 | -6.7 | 113.6 | F13 K17 L18 | F13-R15 HydrophobicContact CD1-CG 4.47Å; F13-R15 HydrophobicContact CE1-CG 4.49Å; F13-R15 PolarHBondContact O-N 3.09Å; R15-K17 PolarHBondContact O-N 3.35Å; R15-L18 VanDerWaalsContact O-CB 3.31Å; R15-L18 WeakPolarHBondContact O-CB 3.07Å; R15-L18 PolarHBondContact O-N 3.29Å |
| 16 | S | 90.7 | Very high | 87.1 | Confident | 85 Ų | 85 | 133.6 Ų | 133.6 | 59% | 0.594 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -65.2 | -26.7 | 175.6 | 84.9 | 0 | 0 | 0 | 0 | 112.5 | D14 L18 | D14-S16 PolarHBondContact OD2-OG 3.17Å; D14-S16 VanDerWaalsContact OD1-OG 3.11Å; D14-S16 PolarHBondContact OD1-OG 3.27Å; D14-S16 PolarHBondContact OD1-N 3.36Å; D14-S16 WeakPolarHBondContact OD1-CB 3.45Å; D14-S16 VanDerWaalsContact O-N 3.14Å; D14-S16 PolarHBondContact O-N 2.69Å; S16-L18 PolarHBondContact O-N 3.14Å |
| 17 | K | 90 | Very high | 86.5 | Confident | 168 Ų | 168 | 133.8 Ų | 133.8 | 73% | 0.73 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -72.9 | -11 | 176.7 | -60.7 | -174.5 | 179.7 | 179.5 | 0 | 113.1 | D14 R15 | D14-K17 HydrophobicContact CB-CG 4.34Å; D14-K17 WeakPolarHBondContact O-CB 3.31Å; D14-K17 PolarHBondContact O-N 3.22Å; D14-K17 VanDerWaalsContact O-N 3.13Å; R15-K17 PolarHBondContact O-N 3.35Å |
| 18 | L | 90.8 | Very high | 85.4 | Confident | 111 Ų | 111 | 133.4 Ų | 133.4 | 58% | 0.581 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -78.4 | 124 | 178.5 | -167.9 | 68.5 | 0 | 0 | 0 | 110.5 | R15 S16 K20 | R15-L18 VanDerWaalsContact O-CB 3.31Å; R15-L18 WeakPolarHBondContact O-CB 3.07Å; R15-L18 PolarHBondContact O-N 3.29Å; S16-L18 PolarHBondContact O-N 3.14Å; L18-K20 PolarHBondContact O-N 3.41Å |
| 19 | K | 90.3 | Very high | 84.7 | Confident | 190 Ų | 190 | 139 Ų | 139 | 83% | 0.826 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 130 | 174.4 | -69.5 | -176 | 177 | -176.1 | 0 | 110.1 | T21 | K19-T21 PolarHBondContact O-N 3.47Š|
| 20 | K | 89.8 | Confident | 83.9 | Confident | 195 Ų | 195 | 136.8 Ų | 136.8 | 85% | 0.848 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 116.7 | 169.4 | -57 | -56.6 | -177.4 | -175.8 | 0 | 107.8 | L18 | L18-K20 PolarHBondContact O-N 3.41Š|
| 21 | T | 88.7 | Confident | 82.5 | Confident | 114 Ų | 114 | 134.9 Ų | 134.9 | 70% | 0.699 | 68% | 0.675 | S | S | * | * | | | trans | -119.2 | 128 | 176 | -170.2 | 0 | 0 | 0 | 0 | 108.4 | K19 T23 | K19-T21 PolarHBondContact O-N 3.47Å; T21-T23 PolarHBondContact O-N 3.04Å |
| 22 | N | 84.5 | Confident | 81.3 | Confident | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 68% | 0.677 | S | S | * | * | | | trans | -78 | 111 | 172.1 | -176.7 | 23.5 | 0 | 0 | 0 | 107.6 | | |
| 23 | T | 84.4 | Confident | 80.1 | Confident | 111 Ų | 111 | 136.9 Ų | 136.9 | 68% | 0.681 | 68% | 0.684 | S | S | * | * | | | trans | -99.7 | 111.5 | 177.5 | -56.8 | 0 | 0 | 0 | 0 | 108 | T21 E25 | T21-T23 PolarHBondContact O-N 3.04Å; T23-E25 PolarHBondContact O-N 3.44Å |
| 24 | E | 83.3 | Confident | 78.6 | Confident | 127 Ų | 127 | 139.9 Ų | 139.9 | 59% | 0.593 | 70% | 0.697 | S | S | * | * | | | trans | -77.3 | 106 | 170.1 | -63.9 | -161.3 | 144 | 0 | 0 | 109.2 | K26 | E24-K26 PolarHBondContact O-N 2.78Å; E24-K26 VanDerWaalsContact O-N 3.09Å; E24-K26 VanDerWaalsContact OE2-CE 3.27Å; E24-K26 WeakPolarHBondContact OE2-CE 3.49Å; E24-K26 IonicContact OE2-NZ 2.69Å; E24-K26 PolarHBondContact OE2-NZ 3.33Å |
| 25 | E | 81 | Confident | 76.9 | Confident | 151 Ų | 151 | 138.6 Ų | 138.6 | 71% | 0.706 | 70% | 0.703 | S | S | * | * | | | trans | -65.6 | 105.3 | 169.7 | -175.4 | -174.6 | 128.2 | 0 | 0 | 109.3 | T23 N27 | T23-E25 PolarHBondContact O-N 3.44Å; E25-N27 PolarHBondContact OE1-ND2 3.03Å; E25-N27 VanDerWaalsContact O-N 3.09Å; E25-N27 PolarHBondContact O-N 3.09Å; E25-N27 WeakPolarHBondContact CG-ND2 3.41Å; E25-N27 HydrophobicContact CG-CB 4.02Å |
| 26 | K | 78.4 | Confident | 75.2 | Confident | 146 Ų | 146 | 134.8 Ų | 134.8 | 64% | 0.635 | 70% | 0.701 | S | S | * | * | | | trans | -85.8 | 53 | 176.8 | -63.2 | -64.9 | -179.9 | -169.6 | 0 | 111.6 | E24 T28 | E24-K26 PolarHBondContact O-N 2.78Å; E24-K26 VanDerWaalsContact O-N 3.09Å; E24-K26 VanDerWaalsContact OE2-CE 3.27Å; E24-K26 WeakPolarHBondContact OE2-CE 3.49Å; E24-K26 IonicContact OE2-NZ 2.69Å; E24-K26 PolarHBondContact OE2-NZ 3.33Å; K26-T28 PolarHBondContact O-N 3.4Å |
| 27 | N | 72.1 | Confident | 73.6 | Confident | 118 Ų | 118 | 135 Ų | 135 | 63% | 0.631 | 70% | 0.703 | S | S | * | * | | | trans | -81 | 45.1 | 171.9 | -77.9 | -11.4 | 0 | 0 | 0 | 111.9 | E25 L29 | E25-N27 PolarHBondContact OE1-ND2 3.03Å; E25-N27 VanDerWaalsContact O-N 3.09Å; E25-N27 PolarHBondContact O-N 3.09Å; E25-N27 WeakPolarHBondContact CG-ND2 3.41Å; E25-N27 HydrophobicContact CG-CB 4.02Å; N27-L29 VanDerWaalsContact C-N 3.32Å; N27-L29 PolarHBondContact O-N 3.14Å |
| 28 | T | 64.3 | Low | 72.2 | Confident | 123 Ų | 123 | 134.8 Ų | 134.8 | 76% | 0.755 | 71% | 0.709 | S | S | * | * | | | trans | -66.3 | 98.9 | 165.3 | 20.3 | 0 | 0 | 0 | 0 | 108.2 | K26 | K26-T28 PolarHBondContact O-N 3.4Š|
| 29 | L | 71.3 | Confident | 70.5 | Confident | 148 Ų | 148 | 135.9 Ų | 135.9 | 78% | 0.775 | 73% | 0.725 | S | S | * | * | | | trans | -49.6 | 141.4 | 165.1 | -64 | 175.5 | 0 | 0 | 0 | 108.7 | N27 S31 | N27-L29 VanDerWaalsContact C-N 3.32Å; N27-L29 PolarHBondContact O-N 3.14Å; L29-S31 PolarHBondContact O-N 3.13Å |
| 30 | P | 66.3 | Low | 68.9 | Low | 100 Ų | 100 | 137.8 Ų | 137.8 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | | | trans | -55.3 | 115.7 | 176 | 22.8 | -31.9 | 0 | 0 | 0 | 108.6 | | |
| 31 | S | 59.1 | Low | 67.7 | Low | 75 Ų | 75 | 136.7 Ų | 136.7 | 52% | 0.524 | 72% | 0.724 | S | S | . | * | | | trans | -58.4 | 151.9 | 175.7 | 72 | 0 | 0 | 0 | 0 | 109.2 | L29 E33 K34 | L29-S31 PolarHBondContact O-N 3.13Å; S31-E33 PolarHBondContact O-N 3.31Å; S31-K34 PolarHBondContact O-N 3.19Å |
| 32 | K | 62.2 | Low | 66.4 | Low | 197 Ų | 197 | 136.6 Ų | 136.6 | 86% | 0.857 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.9 | 4.2 | -165.5 | -160.6 | 167.8 | 179.9 | 175 | 0 | 116.9 | | |
| 33 | E | 62.7 | Low | 64.9 | Low | 175 Ų | 175 | 133 Ų | 133 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.2 | -21.2 | -169.6 | -48.3 | -178.1 | 124 | 0 | 0 | 111.9 | S31 | S31-E33 PolarHBondContact O-N 3.31Š|
| 34 | K | 58 | Low | 63.7 | Low | 177 Ų | 177 | 133.7 Ų | 133.7 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | 0.9 | 176.5 | -64.6 | -175.9 | -179.8 | 176.7 | 0 | 113.6 | S31 | S31-K34 PolarHBondContact O-N 3.19Š|
| 35 | G | 56.2 | Low | 62.6 | Low | 53 Ų | 53 | 136.1 Ų | 136.1 | 55% | 0.546 | 75% | 0.747 | S | S | . | * | S | Bend | trans | -93.7 | 3.3 | -175.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 36 | V | 55.5 | Low | 61.7 | Low | 123 Ų | 123 | 140.4 Ų | 140.4 | 75% | 0.745 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -110.9 | -4.2 | -171.1 | -171.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 37 | S | 57 | Low | 60.8 | Low | 91 Ų | 91 | 142 Ų | 142 | 64% | 0.636 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -115.9 | -7.8 | -171.1 | 58.5 | 0 | 0 | 0 | 0 | 117.2 | | |
| 38 | L | 59.4 | Low | 60 | Low | 163 Ų | 163 | 142.7 Ų | 142.7 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -10.6 | -177.2 | -109.8 | 166 | 0 | 0 | 0 | 115.2 | | |
| 39 | C | 56.9 | Low | 59.5 | Low | 134 Ų | 134 | 146.8 Ų | 146.8 | 91% | 0.905 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | 13.8 | -177 | -66.4 | 0 | 0 | 0 | 0 | 115 | | |
| 40 | R | 56.7 | Low | 58.9 | Low | 230 Ų | 230 | 142.8 Ų | 142.8 | 87% | 0.868 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -120.4 | 7 | -173.9 | -143.1 | -176.9 | -153.1 | -134.2 | 3.3 | 116.7 | | |
| 41 | Q | 63.8 | Low | 58.6 | Low | 171 Ų | 171 | 143.3 Ų | 143.3 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -113 | -9.2 | -174 | -152.3 | 166.6 | 13.4 | 0 | 0 | 115.1 | | |
| 42 | A | 60.7 | Low | 58.3 | Low | 113 Ų | 113 | 147.6 Ų | 147.6 | 93% | 0.934 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -93.9 | 12.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 43 | G | 53.2 | Low | 58 | Low | 66 Ų | 66 | 146.5 Ų | 146.5 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | | | trans | -125.8 | 42 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | | |
| 44 | V | 58.8 | Low | 57.5 | Low | 127 Ų | 127 | 142 Ų | 142 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | | | trans | -71.7 | 128.9 | 165.1 | 174.5 | 0 | 0 | 0 | 0 | 107.1 | | |
| 45 | Q | 61.1 | Low | 57.4 | Low | 177 Ų | 177 | 139.4 Ų | 139.4 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | | | trans | 86.4 | 57.4 | 174.2 | -151.5 | 125.2 | 65 | 0 | 0 | 118.3 | | |
| 46 | R | 62.7 | Low | 57.6 | Low | 242 Ų | 242 | 142.8 Ų | 142.8 | 91% | 0.913 | 79% | 0.786 | S | S | * | * | | | trans | -123.5 | 55.2 | 148.2 | -60.8 | -163.8 | -152.6 | 171.3 | 7.4 | 110.6 | | |
| 47 | H | 58.4 | Low | 57.6 | Low | 180 Ų | 180 | 142.1 Ų | 142.1 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | | | trans | -96.6 | 133.2 | 158.2 | -98.2 | -88.8 | 0 | 0 | 0 | 107.2 | | |
| 48 | D | 55.1 | Low | 57.8 | Low | 131 Ų | 131 | 146.1 Ų | 146.1 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 100.8 | 36.3 | 159.5 | -141.1 | 15.7 | 0 | 0 | 0 | 121 | | |
| 49 | F | 55.2 | Low | 58.1 | Low | 210 Ų | 210 | 146.8 Ų | 146.8 | 92% | 0.921 | 79% | 0.789 | S | S | * | * | S | Bend | trans | -122.6 | 8.5 | 168 | -69.6 | -75 | 0 | 0 | 0 | 115 | | |
| 50 | G | 57.6 | Low | 58.4 | Low | 64 Ų | 64 | 148.4 Ų | 148.4 | 66% | 0.66 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -112.6 | -10.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116 | | |
| 51 | S | 59.6 | Low | 59 | Low | 111 Ų | 111 | 144.7 Ų | 144.7 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -5.4 | -176.5 | -92 | 0 | 0 | 0 | 0 | 115 | | |
| 52 | L | 53.3 | Low | 58.9 | Low | 164 Ų | 164 | 146.1 Ų | 146.1 | 86% | 0.859 | 78% | 0.777 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.3 | 0.8 | 177.6 | -68.4 | 178.1 | 0 | 0 | 0 | 113.9 | T54 | L52-T54 PolarHBondContact O-N 3.38Š|
| 53 | Q | 56.5 | Low | 58.4 | Low | 175 Ų | 175 | 144.4 Ų | 144.4 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -81.8 | 69.9 | 174.9 | -153.7 | 171.2 | 78.5 | 0 | 0 | 109.9 | | |
| 54 | T | 52.1 | Low | 58.6 | Low | 80 Ų | 80 | 146.9 Ų | 146.9 | 49% | 0.491 | 76% | 0.763 | S | S | . | * | | | trans | 58.9 | 98.2 | 133.9 | 62.4 | 0 | 0 | 0 | 0 | 115.2 | L52 L56 | L52-T54 PolarHBondContact O-N 3.38Å; T54-L56 HydrophobicContact CG2-CD1 3.68Å; T54-L56 PolarHBondContact O-N 3.48Å |
| 55 | S | 55.3 | Low | 58.7 | Low | 123 Ų | 123 | 148.6 Ų | 148.6 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | | | trans | -55.6 | 44.3 | 141.4 | 60.5 | 0 | 0 | 0 | 0 | 111.7 | P57 | S55-P57 WeakPolarHBondContact O-CD 3.3Š|
| 56 | L | 60.1 | Low | 58.8 | Low | 124 Ų | 124 | 145.8 Ų | 145.8 | 65% | 0.649 | 77% | 0.767 | S | S | * | * | | | trans | -65.1 | 108.4 | -175.2 | -137 | 77.8 | 0 | 0 | 0 | 106.6 | T54 | T54-L56 HydrophobicContact CG2-CD1 3.68Å; T54-L56 PolarHBondContact O-N 3.48Å |
| 57 | P | 56.5 | Low | 59 | Low | 108 Ų | 108 | 142 Ų | 142 | 70% | 0.701 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -65.3 | 142.4 | -177.1 | -13.2 | 29 | 0 | 0 | 0 | 108.9 | S55 | S55-P57 WeakPolarHBondContact O-CD 3.3Š|
| 58 | E | 60.6 | Low | 59.3 | Low | 176 Ų | 176 | 138.8 Ų | 138.8 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | | | trans | 61.4 | 58.1 | 174.5 | -53.6 | -170.7 | 136.5 | 0 | 0 | 115.2 | K60 | E58-K60 PolarHBondContact O-N 3.26Š|
| 59 | F | 65.4 | Low | 59.8 | Low | 177 Ų | 177 | 135.6 Ų | 135.6 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | | | trans | -62.8 | 76 | 160.9 | -168.8 | -100.1 | 0 | 0 | 0 | 109.8 | Q61 | F59-Q61 VanDerWaalsContact C-N 3.3Å; F59-Q61 HydrophobicContact CE1-CG 4.4Å; F59-Q61 PolarHBondContact O-N 3.14Å |
| 60 | K | 63.8 | Low | 60.3 | Low | 167 Ų | 167 | 129.6 Ų | 129.6 | 73% | 0.726 | 73% | 0.732 | S | S | * | * | | | trans | -67.7 | 95.8 | 169.6 | -113 | 172.4 | -178.6 | -87.4 | 0 | 106.5 | E58 F62 | E58-K60 PolarHBondContact O-N 3.26Å; K60-F62 WeakPolarHBondContact O-CD2 3.47Å; K60-F62 PolarHBondContact O-N 2.68Å |
| 61 | Q | 68.6 | Low | 60.7 | Low | 152 Ų | 152 | 135.2 Ų | 135.2 | 71% | 0.71 | 73% | 0.733 | S | S | * | * | | | trans | -55.2 | 101.3 | 172.2 | -152.9 | 176.4 | -34.9 | 0 | 0 | 108 | F59 S63 | F59-Q61 VanDerWaalsContact C-N 3.3Å; F59-Q61 HydrophobicContact CE1-CG 4.4Å; F59-Q61 PolarHBondContact O-N 3.14Å; Q61-S63 PolarHBondContact O-N 2.82Å |
| 62 | F | 61.8 | Low | 60.9 | Low | 201 Ų | 201 | 134.6 Ų | 134.6 | 88% | 0.882 | 72% | 0.721 | S | S | * | * | | | trans | -71.1 | 89.2 | 170.4 | -74.6 | -79.5 | 0 | 0 | 0 | 107.9 | K60 | K60-F62 WeakPolarHBondContact O-CD2 3.47Å; K60-F62 PolarHBondContact O-N 2.68Å |
| 63 | S | 52 | Low | 61.3 | Low | 78 Ų | 78 | 133 Ų | 133 | 55% | 0.545 | 71% | 0.713 | S | S | . | * | | | trans | -68.1 | 158.7 | 160.8 | -55.3 | 0 | 0 | 0 | 0 | 109.5 | Q61 | Q61-S63 PolarHBondContact O-N 2.82Š|
| 64 | C | 56.5 | Low | 61.6 | Low | 117 Ų | 117 | 131.8 Ų | 131.8 | 79% | 0.791 | 70% | 0.701 | S | S | * | * | | | trans | 75.7 | 91.3 | 164.8 | -14.6 | 0 | 0 | 0 | 0 | 114.6 | | |
| 65 | L | 60.1 | Low | 62.1 | Low | 164 Ų | 164 | 136 Ų | 136 | 86% | 0.859 | 71% | 0.714 | S | S | * | * | | | | 175.7 | 95.5 | 116.3 | -84.1 | -178.3 | 0 | 0 | 0 | 107 | L67 | L65-L67 PolarHBondContact O-N 3.15Š|
| 66 | S | 63 | Low | 62.5 | Low | 117 Ų | 117 | 136.7 Ų | 136.7 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | | | trans | -43.5 | 114.7 | 175.8 | -40.2 | 0 | 0 | 0 | 0 | 111.6 | P68 | S66-P68 VanDerWaalsContact O-CD 3.24Å; S66-P68 WeakPolarHBondContact O-CD 3.22Å |
| 67 | L | 66.8 | Low | 62.6 | Low | 164 Ų | 164 | 136.2 Ų | 136.2 | 86% | 0.859 | 71% | 0.71 | S | S | * | * | | | trans | -74.3 | 113 | 159.5 | -85.4 | 79.2 | 0 | 0 | 0 | 106.5 | L65 S69 | L65-L67 PolarHBondContact O-N 3.15Å; L67-S69 VanDerWaalsContact O-N 3.17Å; L67-S69 PolarHBondContact O-N 3.49Å |
| 68 | P | 66.7 | Low | 62.8 | Low | 112 Ų | 112 | 140.6 Ų | 140.6 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | | | trans | -61.4 | 124.2 | 170.2 | -12.4 | 28.3 | 0 | 0 | 0 | 106.5 | S66 S70 | S66-P68 VanDerWaalsContact O-CD 3.24Å; S66-P68 WeakPolarHBondContact O-CD 3.22Å; P68-S70 PolarHBondContact O-N 3.2Å |
| 69 | S | 65.2 | Low | 62.3 | Low | 63 Ų | 63 | 138.4 Ų | 138.4 | 44% | 0.441 | 72% | 0.718 | S | S | . | * | | | trans | -57 | 132.8 | 173.6 | 79.5 | 0 | 0 | 0 | 0 | 107.8 | L67 W71 D72 | L67-S69 VanDerWaalsContact O-N 3.17Å; L67-S69 PolarHBondContact O-N 3.49Å; S69-W71 PolarHBondContact O-N 3.16Å; S69-D72 PolarHBondContact O-N 3.18Å |
| 70 | S | 65.1 | Low | 61.9 | Low | 85 Ų | 85 | 137.2 Ų | 137.2 | 59% | 0.594 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.7 | -9.5 | 177.9 | 169 | 0 | 0 | 0 | 0 | 113.8 | P68 | P68-S70 PolarHBondContact O-N 3.2Š|
| 71 | W | 65.7 | Low | 61.8 | Low | 181 Ų | 181 | 135.8 Ų | 135.8 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | -24.7 | -179 | -73.9 | 78.8 | 0 | 0 | 0 | 113.8 | S69 L73 R74 | S69-W71 PolarHBondContact O-N 3.16Å; W71-L73 VanDerWaalsContact C-N 3.29Å; W71-L73 PolarHBondContact O-N 2.63Å; W71-R74 VanDerWaalsContact CD2-NH2 3.35Å; W71-R74 PolarHBondContact O-N 3.42Å |
| 72 | D | 64.3 | Low | 61.4 | Low | 99 Ų | 99 | 134.9 Ų | 134.9 | 53% | 0.529 | 76% | 0.761 | S | S | . | * | G | 310 helix | trans | -75 | -16.8 | 178.4 | -87 | -35.2 | 0 | 0 | 0 | 113.8 | S69 R74 H75 | S69-D72 PolarHBondContact O-N 3.18Å; D72-R74 PolarHBondContact O-N 3.11Å; D72-H75 PolarHBondContact O-N 2.85Å |
| 73 | L | 60.9 | Low | 61.4 | Low | 131 Ų | 131 | 131.2 Ų | 131.2 | 69% | 0.686 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -66.5 | -19.4 | 174.9 | -92.4 | 149.1 | 0 | 0 | 0 | 113.4 | W71 | W71-L73 VanDerWaalsContact C-N 3.29Å; W71-L73 PolarHBondContact O-N 2.63Å |
| 74 | R | 62.4 | Low | 62 | Low | 149 Ų | 149 | 134.4 Ų | 134.4 | 56% | 0.562 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -88.2 | -5.6 | -176.6 | -67.2 | -160.4 | -73.1 | -120.3 | 1.4 | 114.6 | W71 D72 | W71-R74 VanDerWaalsContact CD2-NH2 3.35Å; W71-R74 PolarHBondContact O-N 3.42Å; D72-R74 PolarHBondContact O-N 3.11Å |
| 75 | H | 63.5 | Low | 62.3 | Low | 168 Ų | 168 | 135.4 Ų | 135.4 | 78% | 0.778 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -109.1 | 1.7 | 179.5 | -68.9 | -70.2 | 0 | 0 | 0 | 114.4 | D72 | D72-H75 PolarHBondContact O-N 2.85Š|
| 76 | I | 63.8 | Low | 62.4 | Low | 138 Ų | 138 | 133.5 Ų | 133.5 | 71% | 0.708 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -106.3 | -5.4 | -174.8 | -65.1 | 172.8 | 0 | 0 | 0 | 113.3 | K78 | I76-K78 PolarHBondContact O-N 3.25Š|
| 77 | T | 61 | Low | 62.4 | Low | 114 Ų | 114 | 134.7 Ų | 134.7 | 70% | 0.699 | 75% | 0.754 | S | S | * | * | | | trans | -92.5 | 84.1 | 177.3 | 47.6 | 0 | 0 | 0 | 0 | 112.7 | | |
| 78 | K | 62.3 | Low | 62.1 | Low | 199 Ų | 199 | 132.5 Ų | 132.5 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | | | | 162.1 | 108.6 | 121.2 | -90.1 | 178.3 | 177.2 | 168.4 | 0 | 111.4 | I76 | I76-K78 PolarHBondContact O-N 3.25Š|
| 79 | P | 49.7 | Very low | 61.7 | Low | 130 Ų | 130 | 134.2 Ų | 134.2 | 84% | 0.844 | 75% | 0.747 | S | S | * | * | | | trans | -82.1 | 133.3 | 149.1 | 33.3 | -25.1 | 0 | 0 | 0 | 108.5 | | |
| 80 | G | 56.4 | Low | 61.4 | Low | 153 Ų | 153 | 140.6 Ų | 140.6 | 100% | 1.577 | 78% | 0.775 | S | S | * | * | | | trans | -166.6 | 0 | 173.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |