| 1 | M | 53 | Low | 64.7 | Low | 210 Ų | 210 | 158.1 Ų | 158.1 | 100% | 1.034 | 79% | 0.793 | S | S | * | * | | | | 0 | 127.1 | 0 | -98.3 | 78 | 155.6 | 0 | 0 | 109.1 | W3 | M1-W3 HydrophobicContact CB-CE3 3.88Å; M1-W3 HydrophobicContact CB-CH2 4.01Å; M1-W3 HydrophobicContact CB-CZ3 3.58Å; M1-W3 HydrophobicContact CG-CE3 4.24Å; M1-W3 HydrophobicContact CG-CH2 3.66Å; M1-W3 HydrophobicContact CG-CZ3 3.43Å; M1-W3 VanDerWaalsContact CG-CZ3 3.43Å |
| 2 | N | 64.5 | Low | 65.4 | Low | 128 Ų | 128 | 161.3 Ų | 161.3 | 68% | 0.684 | 80% | 0.798 | S | S | * | * | | | trans | -99.6 | 114.6 | 174.5 | 177.9 | -9.9 | 0 | 0 | 0 | 108.3 | N4 | N2-N4 PolarHBondContact OD1-N 3.15Š|
| 3 | W | 67.9 | Low | 66 | Low | 209 Ų | 209 | 156.9 Ų | 156.9 | 79% | 0.792 | 79% | 0.789 | S | S | * | * | | | trans | -87.4 | 5.5 | -176.3 | -90.7 | -165.7 | 0 | 0 | 0 | 114.7 | M1 | M1-W3 HydrophobicContact CB-CE3 3.88Å; M1-W3 HydrophobicContact CB-CH2 4.01Å; M1-W3 HydrophobicContact CB-CZ3 3.58Å; M1-W3 HydrophobicContact CG-CE3 4.24Å; M1-W3 HydrophobicContact CG-CH2 3.66Å; M1-W3 HydrophobicContact CG-CZ3 3.43Å; M1-W3 VanDerWaalsContact CG-CZ3 3.43Å |
| 4 | N | 66.4 | Low | 66.7 | Low | 149 Ų | 149 | 153.2 Ų | 153.2 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | -107.3 | 50 | -176.1 | -83.1 | -3 | 0 | 0 | 0 | 113.7 | N2 | N2-N4 PolarHBondContact OD1-N 3.15Š|
| 5 | T | 65.8 | Low | 67.3 | Low | 122 Ų | 122 | 151.4 Ų | 151.4 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | | | trans | -81.4 | 119.2 | 163 | 31.3 | 0 | 0 | 0 | 0 | 109.6 | Q7 | T5-Q7 PolarHBondContact O-N 2.64Š|
| 6 | K | 64.3 | Low | 67.3 | Low | 209 Ų | 209 | 155.4 Ų | 155.4 | 91% | 0.909 | 79% | 0.787 | S | S | * | * | | | trans | -52.4 | 126.6 | 168.7 | -98 | -176.2 | 171.6 | -175.3 | 0 | 108.7 | E8 | K6-E8 PolarHBondContact O-N 3.27Š|
| 7 | Q | 63.2 | Low | 66.9 | Low | 174 Ų | 174 | 151.9 Ų | 151.9 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | | | trans | -65.4 | 101.2 | 172.6 | -84.8 | -178 | -39 | 0 | 0 | 109.4 | T5 N9 | T5-Q7 PolarHBondContact O-N 2.64Å; Q7-N9 PolarHBondContact O-N 3.09Å |
| 8 | E | 61.3 | Low | 66.8 | Low | 184 Ų | 184 | 154.9 Ų | 154.9 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | | | trans | -71.7 | 109.4 | 167.2 | -168.8 | 171.4 | 131.2 | 0 | 0 | 108.4 | K6 V10 | K6-E8 PolarHBondContact O-N 3.27Å; E8-V10 PolarHBondContact O-N 3.1Å |
| 9 | N | 66.1 | Low | 66.5 | Low | 152 Ų | 152 | 153.4 Ų | 153.4 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | 31.5 | 68.9 | 163.2 | -145.5 | -39.4 | 0 | 0 | 0 | 116.3 | Q7 | Q7-N9 PolarHBondContact O-N 3.09Š|
| 10 | V | 68.4 | Low | 66.3 | Low | 92 Ų | 92 | 154.9 Ų | 154.9 | 56% | 0.558 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 128.9 | 166.1 | -177.8 | 0 | 0 | 0 | 0 | 108.1 | E8 K12 | E8-V10 PolarHBondContact O-N 3.1Å; V10-K12 PolarHBondContact O-N 3.38Å |
| 11 | P | 71.3 | Confident | 66 | Low | 110 Ų | 110 | 150.6 Ų | 150.6 | 71% | 0.714 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -54.7 | 125.8 | 174.9 | -13.3 | 19.2 | 0 | 0 | 0 | 109.6 | | |
| 12 | K | 72.3 | Confident | 66.3 | Low | 197 Ų | 197 | 144.8 Ų | 144.8 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 132 | 178.5 | -70.9 | 178.3 | -178.1 | 173.3 | 0 | 108.8 | V10 | V10-K12 PolarHBondContact O-N 3.38Š|
| 13 | P | 73.7 | Confident | 66.1 | Low | 104 Ų | 104 | 145.2 Ų | 145.2 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 146.5 | 173.5 | 25.4 | -32.9 | 0 | 0 | 0 | 109.2 | | |
| 14 | P | 76.2 | Confident | 65.6 | Low | 105 Ų | 105 | 140.7 Ų | 140.7 | 68% | 0.682 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -56 | 146 | 175.7 | 24.3 | -33 | 0 | 0 | 0 | 109.7 | Y16 | P14-Y16 PolarHBondContact O-N 3.34Š|
| 15 | P | 75.8 | Confident | 65.3 | Low | 126 Ų | 126 | 140.2 Ų | 140.2 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | | | trans | -61.1 | 114.2 | 179.1 | 25.2 | -32.3 | 0 | 0 | 0 | 108.8 | S17 | P15-S17 PolarHBondContact O-N 3.18Å; P15-S17 VanDerWaalsContact O-N 3.16Å |
| 16 | Y | 66.8 | Low | 64.8 | Low | 215 Ų | 215 | 141.3 Ų | 141.3 | 84% | 0.843 | 74% | 0.735 | S | S | * | * | | | trans | -58.1 | 120.8 | 171.7 | -96.6 | -92.6 | 0 | 0 | 0 | 108.6 | P14 K18 | P14-Y16 PolarHBondContact O-N 3.34Å; Y16-K18 PolarHBondContact O-N 3.25Å; Y16-K18 VanDerWaalsContact O-N 3.09Å |
| 17 | S | 60.7 | Low | 64.5 | Low | 96 Ų | 96 | 139.1 Ų | 139.1 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | | | trans | -60.8 | 112.2 | 170.1 | 35.4 | 0 | 0 | 0 | 0 | 108.7 | P15 T19 | P15-S17 PolarHBondContact O-N 3.18Å; P15-S17 VanDerWaalsContact O-N 3.16Å; S17-T19 PolarHBondContact O-N 2.9Å |
| 18 | K | 64.3 | Low | 64.3 | Low | 207 Ų | 207 | 137.1 Ų | 137.1 | 90% | 0.9 | 72% | 0.72 | S | S | * | * | | | trans | -68.8 | 64.8 | 168.2 | -91.4 | 178.8 | 173.8 | 172 | 0 | 109.5 | Y16 Q20 | Y16-K18 PolarHBondContact O-N 3.25Å; Y16-K18 VanDerWaalsContact O-N 3.09Å; K18-Q20 PolarHBondContact O-N 2.99Å |
| 19 | T | 62.4 | Low | 64 | Low | 126 Ų | 126 | 135.7 Ų | 135.7 | 77% | 0.773 | 72% | 0.715 | S | S | * | * | | | trans | -72.9 | 115.8 | 163.2 | 32.8 | 0 | 0 | 0 | 0 | 107.6 | S17 S21 | S17-T19 PolarHBondContact O-N 2.9Å; T19-S21 PolarHBondContact O-N 3.19Å |
| 20 | Q | 61.8 | Low | 63.1 | Low | 182 Ų | 182 | 133.6 Ų | 133.6 | 85% | 0.85 | 71% | 0.708 | S | S | * | * | | | trans | -57 | 128.6 | -169.5 | -66.9 | 173.9 | -46.5 | 0 | 0 | 111.7 | K18 S22 | K18-Q20 PolarHBondContact O-N 2.99Å; Q20-S22 VanDerWaalsContact C-N 3.26Å; Q20-S22 PolarHBondContact O-N 3.27Å |
| 21 | S | 59.3 | Low | 62.2 | Low | 66 Ų | 66 | 133.6 Ų | 133.6 | 46% | 0.462 | 71% | 0.712 | S | S | . | * | | | trans | -71.9 | 82.2 | 167.8 | -175 | 0 | 0 | 0 | 0 | 109.4 | T19 L24 | T19-S21 PolarHBondContact O-N 3.19Å; S21-L24 WeakPolarHBondContact OG-CB 3.12Å; S21-L24 WeakPolarHBondContact OG-CD1 3.35Å; S21-L24 VanDerWaalsContact OG-CG 3.3Å; S21-L24 WeakPolarHBondContact OG-CG 3.28Å |
| 22 | S | 60.4 | Low | 61.3 | Low | 87 Ų | 87 | 134.1 Ų | 134.1 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -79.4 | -23.5 | 173.3 | 59.1 | 0 | 0 | 0 | 0 | 112.1 | Q20 | Q20-S22 VanDerWaalsContact C-N 3.26Å; Q20-S22 PolarHBondContact O-N 3.27Å |
| 23 | I | 59.4 | Low | 60.1 | Low | 138 Ų | 138 | 131.1 Ų | 131.1 | 71% | 0.708 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -71.9 | -40.7 | -176.4 | -64.1 | 167.4 | 0 | 0 | 0 | 111.3 | Q25 | I23-Q25 PolarHBondContact O-N 2.85Å |
| 24 | L | 58.5 | Low | 58.9 | Low | 114 Ų | 114 | 131.4 Ų | 131.4 | 60% | 0.597 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -71 | -31.3 | -178.5 | -65.8 | 178.6 | 0 | 0 | 0 | 112.8 | S21 F27 | S21-L24 WeakPolarHBondContact OG-CB 3.12Å; S21-L24 WeakPolarHBondContact OG-CD1 3.35Å; S21-L24 VanDerWaalsContact OG-CG 3.3Å; S21-L24 WeakPolarHBondContact OG-CG 3.28Å; L24-F27 PolarHBondContact O-N 2.75Å |
| 25 | Q | 58.3 | Low | 57.4 | Low | 138 Ų | 138 | 135.4 Ų | 135.4 | 65% | 0.645 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -69.2 | -35 | 179.6 | -72.2 | -153.4 | 54.5 | 0 | 0 | 112.7 | I23 F27 L28 | I23-Q25 PolarHBondContact O-N 2.85Å; Q25-F27 VanDerWaalsContact C-N 3.27Å; Q25-F27 PolarHBondContact O-N 2.89Å; Q25-L28 PolarHBondContact O-N 3.04Å |
| 26 | H | 56 | Low | 56.2 | Low | 146 Ų | 146 | 133.5 Ų | 133.5 | 68% | 0.676 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -66 | -33.1 | 177.8 | -153.6 | 111.7 | 0 | 0 | 0 | 111.9 | | |
| 27 | F | 58.4 | Low | 55.1 | Low | 163 Ų | 163 | 128.3 Ų | 128.3 | 72% | 0.715 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -73 | -27.3 | -178.3 | -141.6 | -91.2 | 0 | 0 | 0 | 113.4 | L24 Q25 T30 | L24-F27 PolarHBondContact O-N 2.75Å; Q25-F27 VanDerWaalsContact C-N 3.27Å; Q25-F27 PolarHBondContact O-N 2.89Å; F27-T30 PolarHBondContact O-OG1 3.01Å |
| 28 | L | 58.9 | Low | 54.8 | Low | 132 Ų | 132 | 132 Ų | 132 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -80.6 | -31.4 | -179.1 | -78.7 | 153 | 0 | 0 | 0 | 112.7 | Q25 T30 | Q25-L28 PolarHBondContact O-N 3.04Å; L28-T30 PolarHBondContact O-N 3.09Å |
| 29 | M | 54.3 | Low | 53.7 | Low | 154 Ų | 154 | 129.5 Ų | 129.5 | 76% | 0.759 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -73.4 | -21.9 | -176.4 | -70.1 | -172.4 | 73.6 | 0 | 0 | 114.2 | S31 | M29-S31 VanDerWaalsContact C-N 3.26Å; M29-S31 PolarHBondContact O-N 3.16Å |
| 30 | T | 48.7 | Very low | 52.7 | Low | 108 Ų | 108 | 133.6 Ų | 133.6 | 66% | 0.663 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 2.2 | -178.8 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | F27 L28 | F27-T30 PolarHBondContact O-OG1 3.01Å; L28-T30 PolarHBondContact O-N 3.09Å |
| 31 | S | 48.1 | Very low | 51.4 | Low | 92 Ų | 92 | 130.4 Ų | 130.4 | 64% | 0.643 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.8 | 8.6 | -170.5 | -57.5 | 0 | 0 | 0 | 0 | 115.4 | M29 | M29-S31 VanDerWaalsContact C-N 3.26Å; M29-S31 PolarHBondContact O-N 3.16Å |
| 32 | T | 53.8 | Low | 51.4 | Low | 120 Ų | 120 | 132.7 Ų | 132.7 | 74% | 0.736 | 73% | 0.725 | S | S | * | * | | | trans | -118.1 | 68 | -176.6 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | | |
| 33 | T | 46.5 | Very low | 50.3 | Low | 134 Ų | 134 | 136 Ų | 136 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | | | trans | -158.3 | 110.5 | 158.2 | -44.2 | 0 | 0 | 0 | 0 | 104.4 | | |
| 34 | S | 47.9 | Very low | 49.6 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | | | cis | -151.7 | 142.1 | 44.8 | -66.6 | 0 | 0 | 0 | 0 | 110.1 | | |
| 35 | Q | 44.9 | Very low | 48.4 | Very low | 190 Ų | 190 | 139.7 Ų | 139.7 | 89% | 0.888 | 75% | 0.746 | S | S | * | * | | | trans | -63.2 | 136.8 | 172.7 | -62.6 | -176.2 | 36.5 | 0 | 0 | 110.4 | | |
| 36 | S | 50.8 | Low | 47.3 | Very low | 86 Ų | 86 | 141.6 Ų | 141.6 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | | | trans | -49.3 | 132.1 | 162.6 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | F38 | S36-F38 WeakPolarHBondContact OG-CD2 2.97Š|
| 37 | S | 43.5 | Very low | 46.7 | Very low | 106 Ų | 106 | 138.6 Ų | 138.6 | 74% | 0.741 | 76% | 0.755 | S | S | * | * | | | trans | -141.4 | 99.5 | 153.2 | -84.3 | 0 | 0 | 0 | 0 | 107.9 | N39 | S37-N39 PolarHBondContact O-N 3.02Š|
| 38 | F | 54.8 | Low | 45.9 | Very low | 172 Ų | 172 | 136.8 Ų | 136.8 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | | | trans | -65.5 | 110.8 | 161.3 | -70.7 | -86.4 | 0 | 0 | 0 | 107.9 | S36 | S36-F38 WeakPolarHBondContact OG-CD2 2.97Š|
| 39 | N | 40.7 | Very low | 45.5 | Very low | 155 Ų | 155 | 138.9 Ų | 138.9 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | | | trans | -130.2 | 96.1 | 158.1 | -85.9 | -42.2 | 0 | 0 | 0 | 108.1 | S37 | S37-N39 PolarHBondContact O-N 3.02Š|
| 40 | Y | 41.4 | Very low | 44.8 | Very low | 213 Ų | 213 | 138.2 Ų | 138.2 | 84% | 0.835 | 77% | 0.774 | S | S | * | * | | | trans | -79 | 120 | 154.5 | -82.4 | -90.2 | 0 | 0 | 0 | 107.6 | | |
| 41 | S | 35 | Very low | 44.4 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | | | | -172.7 | 154.7 | 122.6 | -101.6 | 0 | 0 | 0 | 0 | 113.5 | | |
| 42 | P | 58 | Low | 44.8 | Very low | 115 Ų | 115 | 142.4 Ų | 142.4 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | | | trans | -91.4 | -173.1 | -162.4 | 39.4 | -33.7 | 0 | 0 | 0 | 110.7 | | |
| 43 | H | 38.7 | Very low | 44.3 | Very low | 156 Ų | 156 | 144.4 Ų | 144.4 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | | | trans | 110.7 | 124.5 | 152.2 | -147.8 | -99.5 | 0 | 0 | 0 | 114.5 | | |
| 44 | N | 44.7 | Very low | 44.4 | Very low | 127 Ų | 127 | 147.8 Ų | 147.8 | 68% | 0.679 | 79% | 0.791 | S | S | * | * | | | trans | 81.7 | 81.1 | 169.9 | -47.4 | -51.4 | 0 | 0 | 0 | 117.1 | | |
| 45 | Q | 33.7 | Very low | 44.4 | Very low | 203 Ų | 203 | 148 Ų | 148 | 95% | 0.949 | 79% | 0.792 | S | S | * | * | | | | -132.3 | 117.9 | 129 | -137.8 | 170.9 | 85.9 | 0 | 0 | 110.6 | | |
| 46 | E | 35.3 | Very low | 44.3 | Very low | 177 Ų | 177 | 147.7 Ų | 147.7 | 83% | 0.827 | 80% | 0.796 | S | S | * | * | | | trans | -37.3 | 133.1 | -175.6 | -149.2 | 103.6 | 153.2 | 0 | 0 | 114.3 | S48 | E46-S48 PolarHBondContact O-N 3.02Š|
| 47 | A | 42.7 | Very low | 44.9 | Very low | 84 Ų | 84 | 150.5 Ų | 150.5 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | | | trans | -62.5 | 109.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | | |
| 48 | S | 40.8 | Very low | 45 | Very low | 125 Ų | 125 | 151.8 Ų | 151.8 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | | | trans | -93.7 | 97.4 | 151.6 | -76.4 | 0 | 0 | 0 | 0 | 108.3 | E46 | E46-S48 PolarHBondContact O-N 3.02Š|
| 49 | Q | 50.9 | Low | 45.1 | Very low | 176 Ų | 176 | 151 Ų | 151 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | | | trans | -42.7 | 131.6 | 176 | -56.7 | 157.7 | 53.3 | 0 | 0 | 111.6 | | |
| 50 | T | 40.4 | Very low | 45.8 | Very low | 139 Ų | 139 | 152.5 Ų | 152.5 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | | | | -166.1 | 132.8 | 122.2 | 59.8 | 0 | 0 | 0 | 0 | 111.1 | | |
| 51 | S | 39.2 | Very low | 46.4 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 77% | 0.769 | 79% | 0.79 | S | S | * | * | | | trans | 75.8 | 85 | 156.3 | -160.4 | 0 | 0 | 0 | 0 | 117.7 | | |
| 52 | F | 56.4 | Low | 47.5 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | | | trans | -68.4 | 121.9 | 156.2 | -67.2 | -86.2 | 0 | 0 | 0 | 109.7 | Y54 | F52-Y54 HydrophobicContact CD1-CE2 4.4Š|
| 53 | N | 44.8 | Very low | 47.6 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 87% | 0.866 | 79% | 0.794 | S | S | * | * | | | trans | -156.5 | 94.1 | 136.9 | -87.1 | -56.5 | 0 | 0 | 0 | 108.3 | | |
| 54 | Y | 48.3 | Very low | 48.6 | Very low | 205 Ų | 205 | 152.1 Ų | 152.1 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | | | trans | -80.8 | 126.9 | 164.9 | -73 | -88.3 | 0 | 0 | 0 | 108.8 | F52 | F52-Y54 HydrophobicContact CD1-CE2 4.4Š|
| 55 | S | 48 | Very low | 49.2 | Very low | 114 Ų | 114 | 151.5 Ų | 151.5 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | | | trans | -175.9 | 88.3 | 136 | -83 | 0 | 0 | 0 | 0 | 110 | | |
| 56 | L | 42.8 | Very low | 50.5 | Low | 183 Ų | 183 | 144.7 Ų | 144.7 | 96% | 0.958 | 79% | 0.792 | S | S | * | * | | | trans | -119.1 | 70.1 | 152.2 | -88 | 90.9 | 0 | 0 | 0 | 108.3 | | |
| 57 | H | 62.6 | Low | 51.6 | Low | 145 Ų | 145 | 142.3 Ų | 142.3 | 67% | 0.671 | 79% | 0.785 | S | S | * | * | | | trans | -91.7 | 99.8 | 155.6 | 178.5 | -70.2 | 0 | 0 | 0 | 107.1 | | |
| 58 | N | 45.7 | Very low | 52.5 | Low | 133 Ų | 133 | 143.5 Ų | 143.5 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | | | trans | 171.4 | 90.9 | 156.4 | -82.5 | -27.6 | 0 | 0 | 0 | 104.7 | | |
| 59 | Q | 56.8 | Low | 53.4 | Low | 156 Ų | 156 | 143 Ų | 143 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | | | | 55.1 | 130.6 | 98.4 | -60.2 | -154.5 | 32.5 | 0 | 0 | 112.8 | | |
| 60 | E | 54.5 | Low | 53.9 | Low | 187 Ų | 187 | 140.2 Ų | 140.2 | 87% | 0.874 | 78% | 0.775 | S | S | * | * | | | trans | 92.4 | 71.5 | 168.6 | -48 | -179.9 | 152.7 | 0 | 0 | 117.2 | | |
| 61 | A | 55.5 | Low | 55.1 | Low | 79 Ų | 79 | 138 Ų | 138 | 65% | 0.653 | 76% | 0.762 | S | S | * | * | | | trans | -143.8 | 95.6 | 135.8 | 0 | 0 | 0 | 0 | 0 | 107.8 | M63 | A61-M63 HydrophobicContact CB-CG 3.91Å; A61-M63 PolarHBondContact O-N 2.67Å |
| 62 | C | 58.6 | Low | 56.5 | Low | 130 Ų | 130 | 138.5 Ų | 138.5 | 88% | 0.878 | 77% | 0.765 | S | S | * | * | | | trans | -66.5 | 68.2 | 163.6 | -69.1 | 0 | 0 | 0 | 0 | 108.4 | Y64 | C62-Y64 VanDerWaalsContact C-N 3.3Å; C62-Y64 PolarHBondContact O-N 3.3Å |
| 63 | M | 59 | Low | 57.3 | Low | 155 Ų | 155 | 137.4 Ų | 137.4 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | | | trans | -76.6 | 96.2 | 170.3 | -63.5 | -59.5 | -85.5 | 0 | 0 | 105.3 | A61 S65 | A61-M63 HydrophobicContact CB-CG 3.91Å; A61-M63 PolarHBondContact O-N 2.67Å; M63-S65 VanDerWaalsContact C-N 3.32Å; M63-S65 PolarHBondContact O-N 3.46Å |
| 64 | Y | 59.1 | Low | 58.5 | Low | 226 Ų | 226 | 136.1 Ų | 136.1 | 89% | 0.886 | 76% | 0.763 | S | S | * | * | | | trans | -47.3 | 104.5 | 163.4 | -119.6 | -94.5 | 0 | 0 | 0 | 106.6 | C62 G66 | C62-Y64 VanDerWaalsContact C-N 3.3Å; C62-Y64 PolarHBondContact O-N 3.3Å; Y64-G66 PolarHBondContact O-N 2.81Å |
| 65 | S | 57.1 | Low | 59.5 | Low | 114 Ų | 114 | 133.2 Ų | 133.2 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | | | trans | -68.3 | 87.5 | 168.4 | -58 | 0 | 0 | 0 | 0 | 105.5 | M63 N67 | M63-S65 VanDerWaalsContact C-N 3.32Å; M63-S65 PolarHBondContact O-N 3.46Å; S65-N67 PolarHBondContact O-N 3.08Å |
| 66 | G | 60.8 | Low | 60.2 | Low | 60 Ų | 60 | 135.3 Ų | 135.3 | 62% | 0.619 | 76% | 0.762 | S | S | * | * | | | trans | -52.2 | 109.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | Y64 S68 | Y64-G66 PolarHBondContact O-N 2.81Å; G66-S68 PolarHBondContact O-N 2.93Å |
| 67 | N | 59.4 | Low | 60.9 | Low | 127 Ų | 127 | 129.7 Ų | 129.7 | 68% | 0.679 | 74% | 0.738 | S | S | * | * | | | trans | -67.9 | 81.8 | 171.5 | 179.3 | -0.9 | 0 | 0 | 0 | 107.2 | S65 N69 | S65-N67 PolarHBondContact O-N 3.08Å; N67-N69 PolarHBondContact ND2-ND2 3.27Å; N67-N69 PolarHBondContact O-N 3.13Å; N67-N69 WeakPolarHBondContact OD1-CB 3.49Å; N67-N69 PolarHBondContact OD1-N 3.14Å; N67-N69 PolarHBondContact OD1-ND2 3.2Å; N67-N69 VanDerWaalsContact OD1-ND2 3.08Å |
| 68 | S | 61.2 | Low | 61 | Low | 108 Ų | 108 | 125.6 Ų | 125.6 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | | | trans | -77.4 | 72.4 | 165.7 | 57 | 0 | 0 | 0 | 0 | 107.5 | G66 S70 | G66-S68 PolarHBondContact O-N 2.93Å; S68-S70 VanDerWaalsContact C-N 3.33Å; S68-S70 PolarHBondContact O-N 3Å |
| 69 | N | 59.3 | Low | 61.7 | Low | 116 Ų | 116 | 129.5 Ų | 129.5 | 62% | 0.62 | 74% | 0.74 | S | S | * | * | | | trans | -63.3 | 99.5 | 162.7 | -108.2 | -40.2 | 0 | 0 | 0 | 106.5 | N67 V71 | N67-N69 PolarHBondContact ND2-ND2 3.27Å; N67-N69 PolarHBondContact O-N 3.13Å; N67-N69 WeakPolarHBondContact OD1-CB 3.49Å; N67-N69 PolarHBondContact OD1-N 3.14Å; N67-N69 PolarHBondContact OD1-ND2 3.2Å; N67-N69 VanDerWaalsContact OD1-ND2 3.08Å; N69-V71 HydrophobicContact CB-CG2 4.08Å; N69-V71 PolarHBondContact O-N 3.49Å |
| 70 | S | 62.3 | Low | 61.6 | Low | 116 Ų | 116 | 128.7 Ų | 128.7 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | | | trans | -74.8 | 59 | 165.6 | 43.4 | 0 | 0 | 0 | 0 | 109.1 | S68 S72 | S68-S70 VanDerWaalsContact C-N 3.33Å; S68-S70 PolarHBondContact O-N 3Å; S70-S72 PolarHBondContact O-N 2.91Å; S70-S72 VanDerWaalsContact O-N 3.11Å |
| 71 | V | 65.4 | Low | 61.6 | Low | 94 Ų | 94 | 125.9 Ų | 125.9 | 57% | 0.57 | 72% | 0.723 | S | S | * | * | | | trans | -64.9 | 114.2 | 168.1 | 168.6 | 0 | 0 | 0 | 0 | 106.2 | N69 Q73 | N69-V71 HydrophobicContact CB-CG2 4.08Å; N69-V71 PolarHBondContact O-N 3.49Å; V71-Q73 HydrophobicContact CG1-CG 4.23Å; V71-Q73 PolarHBondContact O-N 2.8Å |
| 72 | S | 69.6 | Low | 61.6 | Low | 119 Ų | 119 | 130.4 Ų | 130.4 | 83% | 0.832 | 73% | 0.734 | S | S | * | * | | | trans | -65.6 | 100.4 | 171.6 | -66.7 | 0 | 0 | 0 | 0 | 107.9 | S70 | S70-S72 PolarHBondContact O-N 2.91Å; S70-S72 VanDerWaalsContact O-N 3.11Å |
| 73 | Q | 72.1 | Confident | 61.3 | Low | 156 Ų | 156 | 128 Ų | 128 | 73% | 0.729 | 72% | 0.716 | S | S | * | * | | | trans | -82.6 | 151.7 | 169.6 | -62 | -154.2 | 13.1 | 0 | 0 | 109.4 | V71 L75 | V71-Q73 HydrophobicContact CG1-CG 4.23Å; V71-Q73 PolarHBondContact O-N 2.8Å; Q73-L75 PolarHBondContact O-N 2.82Å |
| 74 | P | 70.3 | Confident | 61.1 | Low | 135 Ų | 135 | 124.9 Ų | 124.9 | 88% | 0.877 | 71% | 0.706 | S | S | * | * | | | trans | -68.6 | 80 | 170.1 | 29.6 | -33.7 | 0 | 0 | 0 | 109.1 | L76 | P74-L76 PolarHBondContact O-N 3.49Š|
| 75 | L | 68.4 | Low | 60.7 | Low | 145 Ų | 145 | 122.4 Ų | 122.4 | 76% | 0.759 | 70% | 0.703 | S | S | * | * | | | trans | -82.5 | 116.3 | 173.7 | -169.6 | 68.5 | 0 | 0 | 0 | 107.7 | Q73 S77 | Q73-L75 PolarHBondContact O-N 2.82Å; L75-S77 PolarHBondContact O-N 3.41Å |
| 76 | L | 64.5 | Low | 60.5 | Low | 158 Ų | 158 | 122.7 Ų | 122.7 | 83% | 0.827 | 70% | 0.7 | S | S | * | * | | | trans | -64.5 | 91.3 | 161.6 | -79.1 | 160.7 | 0 | 0 | 0 | 107 | P74 G78 | P74-L76 PolarHBondContact O-N 3.49Å; L76-G78 PolarHBondContact O-N 3.4Å |
| 77 | S | 57.6 | Low | 60.1 | Low | 64 Ų | 64 | 126.7 Ų | 126.7 | 45% | 0.448 | 70% | 0.703 | S | S | . | * | | | trans | -70.3 | 80.2 | -177.5 | -174.9 | 0 | 0 | 0 | 0 | 110.8 | L75 R79 Y81 | L75-S77 PolarHBondContact O-N 3.41Å; S77-R79 PolarHBondContact O-N 3.39Å; S77-Y81 PolarHBondContact N-OH 2.74Å; S77-Y81 WeakPolarHBondContact O-CE1 3.34Å; S77-Y81 WeakPolarHBondContact O-CE2 3.46Å; S77-Y81 PolarHBondContact O-OH 2.94Å |
| 78 | G | 63 | Low | 59.8 | Low | 59 Ų | 59 | 126 Ų | 126 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | | | trans | -50.5 | -18 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | L76 Y81 | L76-G78 PolarHBondContact O-N 3.4Å; G78-Y81 PolarHBondContact N-OH 3.36Å |
| 79 | R | 61.3 | Low | 59.3 | Low | 216 Ų | 216 | 124.5 Ų | 124.5 | 82% | 0.815 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -114.2 | 84 | -165.5 | -137.7 | 177.1 | -173.2 | -158.9 | 1.4 | 106.9 | S77 | S77-R79 PolarHBondContact O-N 3.39Š|
| 80 | N | 54 | Low | 59.2 | Low | 139 Ų | 139 | 125.5 Ų | 125.5 | 74% | 0.743 | 70% | 0.698 | S | S | * | * | | | trans | 143.3 | 19.8 | 164 | -70.1 | -36.8 | 0 | 0 | 0 | 113.9 | I82 T83 | N80-I82 PolarHBondContact O-N 3.35Å; N80-I82 VanDerWaalsContact O-N 3.14Å; N80-T83 PolarHBondContact O-OG1 3.11Å; N80-T83 VanDerWaalsContact O-OG1 3.08Å |
| 81 | Y | 54.5 | Low | 59.1 | Low | 128 Ų | 128 | 124.6 Ų | 124.6 | 50% | 0.502 | 69% | 0.691 | S | S | . | * | | | trans | -76.6 | 17.9 | 165.5 | -33.4 | -63.5 | 0 | 0 | 0 | 114 | S77 G78 T83 | S77-Y81 PolarHBondContact N-OH 2.74Å; S77-Y81 WeakPolarHBondContact O-CE1 3.34Å; S77-Y81 WeakPolarHBondContact O-CE2 3.46Å; S77-Y81 PolarHBondContact O-OH 2.94Å; G78-Y81 PolarHBondContact N-OH 3.36Å; Y81-T83 PolarHBondContact O-N 3.44Å; Y81-T83 VanDerWaalsContact O-N 3.13Å |
| 82 | I | 56.2 | Low | 58.7 | Low | 173 Ų | 173 | 127.3 Ų | 127.3 | 89% | 0.887 | 70% | 0.702 | S | S | * | * | | | trans | -84.9 | 54.3 | 157.1 | -41.3 | 177.6 | 0 | 0 | 0 | 107.3 | N80 | N80-I82 PolarHBondContact O-N 3.35Å; N80-I82 VanDerWaalsContact O-N 3.14Å |
| 83 | T | 52.7 | Low | 58 | Low | 81 Ų | 81 | 127.7 Ų | 127.7 | 50% | 0.497 | 69% | 0.693 | S | S | . | * | S | Bend | trans | -118.2 | 150.9 | 160.2 | 19.9 | 0 | 0 | 0 | 0 | 105.9 | N80 Y81 Q85 | N80-T83 PolarHBondContact O-OG1 3.11Å; N80-T83 VanDerWaalsContact O-OG1 3.08Å; Y81-T83 PolarHBondContact O-N 3.44Å; Y81-T83 VanDerWaalsContact O-N 3.13Å; T83-Q85 PolarHBondContact O-N 2.85Å |
| 84 | P | 53.7 | Low | 57.5 | Low | 88 Ų | 88 | 124.5 Ų | 124.5 | 57% | 0.571 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | 29 | -156.6 | 29.1 | -36 | 0 | 0 | 0 | 115.1 | Q87 | P84-Q87 HydrophobicContact CB-CB 4.03Å; P84-Q87 CarbonylContact O-C 3.39Å; P84-Q87 WeakPolarHBondContact O-CA 3.3Å; P84-Q87 VanDerWaalsContact O-CB 3.28Å; P84-Q87 WeakPolarHBondContact O-CB 3.44Å; P84-Q87 PolarHBondContact O-N 2.95Å |
| 85 | Q | 50.9 | Low | 57.2 | Low | 174 Ų | 174 | 124.6 Ų | 124.6 | 81% | 0.813 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72 | -19.3 | 167.4 | -61.5 | -164.4 | 15.4 | 0 | 0 | 112.5 | T83 Q87 | T83-Q85 PolarHBondContact O-N 2.85Å; Q85-Q87 VanDerWaalsContact C-N 3.27Å |
| 86 | T | 52.9 | Low | 57 | Low | 121 Ų | 121 | 127.8 Ų | 127.8 | 74% | 0.742 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -75.1 | -17.6 | 163.2 | 45.4 | 0 | 0 | 0 | 0 | 112.6 | I88 | T86-I88 PolarHBondContact O-N 2.99Š|
| 87 | Q | 52 | Low | 57.3 | Low | 144 Ų | 144 | 125.5 Ų | 125.5 | 67% | 0.673 | 68% | 0.678 | S | S | * | * | | | trans | -83.4 | 60.5 | 162 | -163.8 | -177.7 | -4.1 | 0 | 0 | 108.3 | P84 Q85 S89 | P84-Q87 HydrophobicContact CB-CB 4.03Å; P84-Q87 CarbonylContact O-C 3.39Å; P84-Q87 WeakPolarHBondContact O-CA 3.3Å; P84-Q87 VanDerWaalsContact O-CB 3.28Å; P84-Q87 WeakPolarHBondContact O-CB 3.44Å; P84-Q87 PolarHBondContact O-N 2.95Å; Q85-Q87 VanDerWaalsContact C-N 3.27Å; Q87-S89 VanDerWaalsContact C-N 3.33Å; Q87-S89 PolarHBondContact O-N 3.18Å |
| 88 | I | 53.2 | Low | 58 | Low | 111 Ų | 111 | 130.4 Ų | 130.4 | 57% | 0.569 | 70% | 0.698 | S | S | * | * | | | trans | -50 | 111.1 | 154.5 | -50.7 | 168.6 | 0 | 0 | 0 | 103.6 | T86 V90 M93 | T86-I88 PolarHBondContact O-N 2.99Å; I88-V90 VanDerWaalsContact C-N 3.3Å; I88-V90 PolarHBondContact O-N 3.08Å; I88-M93 HydrophobicContact CG2-CG 4.33Å |
| 89 | S | 51 | Low | 58.6 | Low | 77 Ų | 77 | 133.5 Ų | 133.5 | 54% | 0.538 | 70% | 0.704 | S | S | . | * | | | trans | -58 | 102.4 | 178.6 | -174.3 | 0 | 0 | 0 | 0 | 106.6 | Q87 S91 | Q87-S89 VanDerWaalsContact C-N 3.33Å; Q87-S89 PolarHBondContact O-N 3.18Å; S89-S91 PolarHBondContact O-N 3.23Å; S89-S91 PolarHBondContact OG-OG 2.77Å |
| 90 | V | 56.7 | Low | 59.5 | Low | 138 Ų | 138 | 127.8 Ų | 127.8 | 84% | 0.836 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.8 | 5.8 | -178.5 | -120.3 | 0 | 0 | 0 | 0 | 111.6 | I88 | I88-V90 VanDerWaalsContact C-N 3.3Å; I88-V90 PolarHBondContact O-N 3.08Å |
| 91 | S | 60.6 | Low | 60.7 | Low | 96 Ų | 96 | 127.1 Ų | 127.1 | 67% | 0.671 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -7.8 | -177.3 | 64.3 | 0 | 0 | 0 | 0 | 114.5 | S89 | S89-S91 PolarHBondContact O-N 3.23Å; S89-S91 PolarHBondContact OG-OG 2.77Å |
| 92 | N | 58.1 | Low | 62 | Low | 151 Ų | 151 | 130.3 Ų | 130.3 | 81% | 0.807 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -156.9 | 32.9 | 174.2 | -119 | 3.4 | 0 | 0 | 0 | 116.4 | P94 | N92-P94 WeakPolarHBondContact O-CD 3.44Š|
| 93 | M | 53.8 | Low | 62.8 | Low | 128 Ų | 128 | 127.5 Ų | 127.5 | 63% | 0.631 | 73% | 0.725 | S | S | * | * | | | trans | -84.1 | 105.4 | 165.1 | -98.1 | -85.5 | 146.4 | 0 | 0 | 108.2 | I88 T95 | I88-M93 HydrophobicContact CG2-CG 4.33Å; M93-T95 PolarHBondContact O-N 2.92Å; M93-T95 VanDerWaalsContact O-N 3.15Å |
| 94 | P | 61.9 | Low | 63.8 | Low | 89 Ų | 89 | 128.8 Ų | 128.8 | 58% | 0.578 | 74% | 0.737 | S | S | * | * | | | trans | -58 | 125.8 | 164.5 | 24.1 | -30.3 | 0 | 0 | 0 | 106.2 | N92 R96 | N92-P94 WeakPolarHBondContact O-CD 3.44Å; P94-R96 PolarHBondContact O-N 2.78Å |
| 95 | T | 64.9 | Low | 64.1 | Low | 136 Ų | 136 | 136.7 Ų | 136.7 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | | | trans | -51 | 82.5 | -173.7 | -47.6 | 0 | 0 | 0 | 0 | 111.2 | M93 T97 | M93-T95 PolarHBondContact O-N 2.92Å; M93-T95 VanDerWaalsContact O-N 3.15Å; T95-T97 PolarHBondContact O-N 3Å |
| 96 | R | 64.3 | Low | 64.7 | Low | 213 Ų | 213 | 134.8 Ų | 134.8 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | | | trans | -87.5 | 93.4 | 171.1 | -73.1 | -172.3 | -176.3 | -177 | 2.3 | 105.3 | P94 I98 | P94-R96 PolarHBondContact O-N 2.78Å; R96-I98 PolarHBondContact O-N 2.84Å; R96-I98 VanDerWaalsContact O-N 3.1Å |
| 97 | T | 70.3 | Confident | 65.3 | Low | 109 Ų | 109 | 135.5 Ų | 135.5 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | | | trans | -51.5 | 117 | 166 | -55.5 | 0 | 0 | 0 | 0 | 107.6 | T95 V99 | T95-T97 PolarHBondContact O-N 3Å; T97-V99 HydrophobicContact CG2-CG1 4.25Å; T97-V99 PolarHBondContact O-N 3.26Å; T97-V99 VanDerWaalsContact O-N 3.09Å |
| 98 | I | 72.1 | Confident | 66.1 | Low | 168 Ų | 168 | 135.1 Ų | 135.1 | 86% | 0.862 | 77% | 0.774 | S | S | * | * | | | trans | -67.7 | 108.1 | 171.7 | -59.7 | -176.9 | 0 | 0 | 0 | 106 | R96 | R96-I98 PolarHBondContact O-N 2.84Å; R96-I98 VanDerWaalsContact O-N 3.1Å |
| 99 | V | 75.3 | Confident | 66.8 | Low | 123 Ų | 123 | 136.5 Ų | 136.5 | 75% | 0.745 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 133.4 | 174.1 | -60.3 | 0 | 0 | 0 | 0 | 109 | T97 | T97-V99 HydrophobicContact CG2-CG1 4.25Å; T97-V99 PolarHBondContact O-N 3.26Å; T97-V99 VanDerWaalsContact O-N 3.09Å |
| 100 | A | 80.5 | Confident | 67.8 | Low | 97 Ų | 97 | 140.2 Ų | 140.2 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 144.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q102 | A100-Q102 PolarHBondContact O-N 2.75Š|
| 101 | S | 79.9 | Confident | 68.6 | Low | 124 Ų | 124 | 140.3 Ų | 140.3 | 87% | 0.867 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 126 | 174.3 | -55.6 | 0 | 0 | 0 | 0 | 110.1 | S103 | S101-S103 PolarHBondContact O-N 3.18Š|
| 102 | Q | 81.9 | Confident | 69.1 | Low | 196 Ų | 196 | 143.5 Ų | 143.5 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 117.2 | 171.2 | -174.1 | 179.5 | 70.5 | 0 | 0 | 108.6 | A100 | A100-Q102 PolarHBondContact O-N 2.75Š|
| 103 | S | 73.1 | Confident | 70 | Confident | 114 Ų | 114 | 142.9 Ų | 142.9 | 80% | 0.797 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 116.5 | 170 | -169.1 | 0 | 0 | 0 | 0 | 108.3 | S101 | S101-S103 PolarHBondContact O-N 3.18Š|
| 104 | S | 72.2 | Confident | 71.3 | Confident | 108 Ų | 108 | 144.2 Ų | 144.2 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -80 | 139 | 167.7 | -168.1 | 0 | 0 | 0 | 0 | 109.2 | | |
| 105 | M | 59.7 | Low | 72.2 | Confident | 253 Ų | 253 | 149.2 Ų | 149.2 | 100% | 1.246 | 85% | 0.845 | S | S | * | * | | | trans | -79.4 | 0 | 164 | -70.8 | -173.5 | 166.4 | 0 | 0 | 110.6 | | |