| 1 | M | 54.1 | Low | 61.3 | Low | 250 Ų | 250 | 171 Ų | 171 | 100% | 1.232 | 86% | 0.862 | S | S | * | * | | | | 0 | 116.9 | 0 | -80.9 | 175.7 | 174.1 | 0 | 0 | 108.9 | | |
| 2 | T | 46.5 | Very low | 61.4 | Low | 146 Ų | 146 | 168.5 Ų | 168.5 | 90% | 0.896 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 123.6 | -179.1 | 31.1 | 0 | 0 | 0 | 0 | 111.4 | | |
| 3 | Q | 62.7 | Low | 61.6 | Low | 177 Ų | 177 | 165.6 Ų | 165.6 | 83% | 0.827 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -102.3 | 119.2 | 160.7 | -82.4 | -166 | 15.6 | 0 | 0 | 109.7 | | |
| 4 | R | 53 | Low | 61.9 | Low | 248 Ų | 248 | 164.3 Ų | 164.3 | 94% | 0.936 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 128.6 | 161.6 | -74.2 | 175.5 | 168.1 | 172.6 | -4.5 | 108.1 | | |
| 5 | K | 61.7 | Low | 61.7 | Low | 183 Ų | 183 | 161.7 Ų | 161.7 | 80% | 0.796 | 84% | 0.836 | S | S | * | * | | | trans | -133 | 103.3 | 155.8 | -81.8 | -164.3 | 179.3 | -178.7 | 0 | 111.2 | | |
| 6 | R | 65.4 | Low | 61.4 | Low | 248 Ų | 248 | 157.6 Ų | 157.6 | 94% | 0.936 | 82% | 0.82 | S | S | * | * | | | trans | 16.7 | 107.2 | 152.6 | -65.8 | -178.4 | -179.5 | 174.9 | -0.8 | 117.8 | G8 | R6-G8 PolarHBondContact O-N 3.07Š|
| 7 | N | 64.1 | Low | 61.1 | Low | 165 Ų | 165 | 158.1 Ų | 158.1 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 118.7 | 152.9 | -64.8 | -13.4 | 0 | 0 | 0 | 108.5 | | |
| 8 | G | 72.8 | Confident | 60.9 | Low | 58 Ų | 58 | 156.6 Ų | 156.6 | 60% | 0.598 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 152.2 | 159.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | R6 L10 | R6-G8 PolarHBondContact O-N 3.07Å; G8-L10 PolarHBondContact O-N 3.47Å |
| 9 | P | 70.8 | Confident | 60.7 | Low | 127 Ų | 127 | 156.4 Ų | 156.4 | 83% | 0.825 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 117 | 178.5 | 28.3 | -31.2 | 0 | 0 | 0 | 109.8 | V11 | P9-V11 PolarHBondContact O-N 3.4Š|
| 10 | L | 58.8 | Low | 60.5 | Low | 161 Ų | 161 | 157 Ų | 157 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | | | trans | -75.8 | 112.5 | 163.2 | -93.8 | 145 | 0 | 0 | 0 | 107.5 | G8 N12 | G8-L10 PolarHBondContact O-N 3.47Å; L10-N12 PolarHBondContact O-N 2.8Å |
| 11 | V | 63.9 | Low | 60.2 | Low | 118 Ų | 118 | 154.8 Ų | 154.8 | 72% | 0.715 | 81% | 0.808 | S | S | * | * | | | trans | -74.9 | 109.6 | 169.1 | 177.6 | 0 | 0 | 0 | 0 | 106.9 | P9 V13 | P9-V11 PolarHBondContact O-N 3.4Å; V11-V13 HydrophobicContact CG1-CG2 4.29Å; V11-V13 PolarHBondContact O-N 3.3Å |
| 12 | N | 62.4 | Low | 60.4 | Low | 141 Ų | 141 | 151.9 Ų | 151.9 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | | | trans | -74.2 | 109.5 | 168 | -80.8 | -2.5 | 0 | 0 | 0 | 108.1 | L10 E14 | L10-N12 PolarHBondContact O-N 2.8Å; N12-E14 PolarHBondContact O-N 3.16Å |
| 13 | V | 64 | Low | 60.6 | Low | 131 Ų | 131 | 152.5 Ų | 152.5 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | | | trans | -84.6 | 104.3 | 168.5 | 179.8 | 0 | 0 | 0 | 0 | 107 | V11 | V11-V13 HydrophobicContact CG1-CG2 4.29Å; V11-V13 PolarHBondContact O-N 3.3Å |
| 14 | E | 66 | Low | 60 | Low | 147 Ų | 147 | 147.8 Ų | 147.8 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | | | trans | -64.8 | 133.4 | 167.6 | -72.6 | -84.2 | 128.9 | 0 | 0 | 109 | N12 T16 | N12-E14 PolarHBondContact O-N 3.16Å; E14-T16 VanDerWaalsContact C-N 3.32Å; E14-T16 PolarHBondContact O-N 3.35Å |
| 15 | P | 59.1 | Low | 60.1 | Low | 126 Ų | 126 | 141.9 Ų | 141.9 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | | | trans | -85 | 78.1 | 177.5 | 34.7 | -30.4 | 0 | 0 | 0 | 109 | | |
| 16 | T | 57.7 | Low | 59.6 | Low | 96 Ų | 96 | 142 Ų | 142 | 59% | 0.589 | 77% | 0.767 | S | S | * | * | | | trans | -111.7 | 104.6 | 174.7 | -40.9 | 0 | 0 | 0 | 0 | 109.9 | E14 | E14-T16 VanDerWaalsContact C-N 3.32Å; E14-T16 PolarHBondContact O-N 3.35Å |
| 17 | E | 56 | Low | 59.3 | Low | 165 Ų | 165 | 134.9 Ų | 134.9 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | S | Bend | trans | 67.4 | 139.1 | 149.4 | -62.5 | 177.8 | -176.8 | 0 | 0 | 118.9 | | |
| 18 | T | 56.2 | Low | 58.7 | Low | 131 Ų | 131 | 134.9 Ų | 134.9 | 80% | 0.804 | 75% | 0.753 | S | S | * | * | | | trans | 66.5 | 115.2 | 166.1 | 34 | 0 | 0 | 0 | 0 | 116.3 | | |
| 19 | L | 57.3 | Low | 57.8 | Low | 153 Ų | 153 | 136.2 Ų | 136.2 | 80% | 0.801 | 75% | 0.75 | S | S | * | * | | | | -172.4 | 96.3 | 119.9 | -88.2 | 173.5 | 0 | 0 | 0 | 108.4 | | |
| 20 | F | 58.2 | Low | 57 | Low | 169 Ų | 169 | 136.3 Ų | 136.3 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | | | trans | 49.3 | 119.3 | 150.7 | -61.2 | -84 | 0 | 0 | 0 | 121.1 | F22 | F20-F22 PolarHBondContact O-N 3.41Å; F20-F22 VanDerWaalsContact O-N 3.16Å |
| 21 | P | 53.8 | Low | 57.1 | Low | 111 Ų | 111 | 132.1 Ų | 132.1 | 72% | 0.721 | 74% | 0.738 | S | S | * | * | | | trans | -69.3 | 110.2 | 152.2 | 29.5 | -26.8 | 0 | 0 | 0 | 107.9 | L23 | P21-L23 PolarHBondContact O-N 3.27Š|
| 22 | F | 58.7 | Low | 56.7 | Low | 188 Ų | 188 | 136.1 Ų | 136.1 | 83% | 0.825 | 75% | 0.749 | S | S | * | * | | | trans | -69.6 | 66.8 | 166.7 | -125 | -87.8 | 0 | 0 | 0 | 108.8 | F20 | F20-F22 PolarHBondContact O-N 3.41Å; F20-F22 VanDerWaalsContact O-N 3.16Å |
| 23 | L | 49.3 | Very low | 56.5 | Low | 159 Ų | 159 | 139.6 Ų | 139.6 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | | | trans | -109.6 | 54.8 | 167.1 | -67.8 | 176.2 | 0 | 0 | 0 | 107.8 | P21 T25 | P21-L23 PolarHBondContact O-N 3.27Å; L23-T25 PolarHBondContact O-N 3.43Å |
| 24 | S | 49.9 | Very low | 56.5 | Low | 78 Ų | 78 | 142.5 Ų | 142.5 | 55% | 0.545 | 76% | 0.756 | S | S | . | * | | | trans | -82.1 | 107.4 | 167 | 50.9 | 0 | 0 | 0 | 0 | 108.6 | | |
| 25 | T | 55.3 | Low | 56.4 | Low | 124 Ų | 124 | 143.4 Ų | 143.4 | 76% | 0.761 | 77% | 0.765 | S | S | * | * | | | trans | 60.1 | 94.3 | 146.9 | 59 | 0 | 0 | 0 | 0 | 116.1 | L23 P27 | L23-T25 PolarHBondContact O-N 3.43Å; T25-P27 WeakPolarHBondContact O-CD 3.32Å |
| 26 | Q | 52.4 | Low | 57 | Low | 187 Ų | 187 | 141.5 Ų | 141.5 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | | | trans | -70.5 | 121.2 | 146 | -71 | -148.8 | -14.2 | 0 | 0 | 107.9 | | |
| 27 | P | 57.8 | Low | 57.9 | Low | 98 Ų | 98 | 142.6 Ų | 142.6 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | | | trans | -75.3 | 123.9 | 156.4 | 29.8 | -24.6 | 0 | 0 | 0 | 107.2 | T25 T29 | T25-P27 WeakPolarHBondContact O-CD 3.32Å; P27-T29 VanDerWaalsContact C-N 3.26Å; P27-T29 HydrophobicContact CB-CG2 4.48Å; P27-T29 PolarHBondContact O-N 2.83Å |
| 28 | D | 51.9 | Low | 58.8 | Low | 165 Ų | 165 | 140.5 Ų | 140.5 | 88% | 0.882 | 77% | 0.769 | S | S | * | * | | | trans | -56 | 92.3 | 163.5 | -91.5 | -46 | 0 | 0 | 0 | 108.6 | | |
| 29 | T | 54 | Low | 59.6 | Low | 86 Ų | 86 | 142.8 Ų | 142.8 | 53% | 0.528 | 77% | 0.772 | S | S | . | * | | | trans | -117.9 | 86.3 | 165.6 | 56 | 0 | 0 | 0 | 0 | 108 | P27 S31 | P27-T29 VanDerWaalsContact C-N 3.26Å; P27-T29 HydrophobicContact CB-CG2 4.48Å; P27-T29 PolarHBondContact O-N 2.83Å; T29-S31 PolarHBondContact O-N 3Å |
| 30 | S | 53.6 | Low | 60.2 | Low | 128 Ų | 128 | 142.5 Ų | 142.5 | 90% | 0.895 | 77% | 0.767 | S | S | * | * | | | trans | -62.7 | 85.8 | 155 | 54.1 | 0 | 0 | 0 | 0 | 108.6 | | |
| 31 | S | 60.6 | Low | 60.7 | Low | 74 Ų | 74 | 140.1 Ų | 140.1 | 52% | 0.517 | 77% | 0.766 | S | S | . | * | S | Bend | trans | -155.1 | 104.3 | 168.2 | 57.2 | 0 | 0 | 0 | 0 | 107.9 | T29 R33 | T29-S31 PolarHBondContact O-N 3Å; S31-R33 PolarHBondContact O-N 3.02Å |
| 32 | E | 56.9 | Low | 61.5 | Low | 202 Ų | 202 | 143.7 Ų | 143.7 | 94% | 0.944 | 77% | 0.766 | S | S | * | * | | | trans | 14.6 | 80.9 | 153.9 | -62.9 | 178.3 | 121.8 | 0 | 0 | 114.7 | | |
| 33 | R | 57.4 | Low | 61.7 | Low | 214 Ų | 214 | 142.9 Ų | 142.9 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | | | trans | -97.3 | 96.7 | 166.6 | -80.6 | -169.7 | 177.1 | -179.9 | 1.2 | 108.8 | S31 L35 | S31-R33 PolarHBondContact O-N 3.02Å; R33-L35 PolarHBondContact O-N 2.77Å |
| 34 | E | 64.5 | Low | 62.7 | Low | 191 Ų | 191 | 145.3 Ų | 145.3 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | | | trans | -35.2 | 117.5 | 156.8 | -167.2 | 177.1 | 155.8 | 0 | 0 | 109.7 | A36 | E34-A36 PolarHBondContact O-N 2.85Š|
| 35 | L | 64.3 | Low | 63.2 | Low | 167 Ų | 167 | 149 Ų | 149 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | | | trans | -63.2 | 108.7 | -178 | -94.9 | 89.9 | 0 | 0 | 0 | 109.3 | R33 | R33-L35 PolarHBondContact O-N 2.77Š|
| 36 | A | 72 | Confident | 63.6 | Low | 85 Ų | 85 | 146.1 Ų | 146.1 | 70% | 0.702 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 137.1 | 163.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | E34 | E34-A36 PolarHBondContact O-N 2.85Š|
| 37 | P | 75.4 | Confident | 64 | Low | 119 Ų | 119 | 143.7 Ų | 143.7 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 144.3 | 179.7 | 24.9 | -32.6 | 0 | 0 | 0 | 110.9 | M39 | P37-M39 PolarHBondContact O-N 3.23Š|
| 38 | P | 75.4 | Confident | 64 | Low | 122 Ų | 122 | 144.8 Ų | 144.8 | 79% | 0.792 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 134.6 | -178.3 | 25.2 | -33.3 | 0 | 0 | 0 | 111.6 | Q40 | P38-Q40 PolarHBondContact O-N 3.07Š|
| 39 | M | 72.4 | Confident | 64.2 | Low | 178 Ų | 178 | 144.2 Ų | 144.2 | 88% | 0.877 | 78% | 0.776 | S | S | * | * | | | trans | -61.5 | 115.4 | 174.4 | -172.5 | 174.8 | 171.7 | 0 | 0 | 109.8 | P37 V41 | P37-M39 PolarHBondContact O-N 3.23Å; M39-V41 PolarHBondContact O-N 3.13Å; M39-V41 VanDerWaalsContact O-N 3.13Å |
| 40 | Q | 70.1 | Confident | 64.5 | Low | 147 Ų | 147 | 144.8 Ų | 144.8 | 69% | 0.687 | 78% | 0.779 | S | S | * | * | | | trans | -69.2 | 107.4 | 175.2 | -83.8 | -178.3 | -3.7 | 0 | 0 | 110.2 | P38 Y42 | P38-Q40 PolarHBondContact O-N 3.07Å; Q40-Y42 HydrophobicContact CB-CD2 4.48Å; Q40-Y42 HydrophobicContact CB-CE2 4.02Å; Q40-Y42 PolarHBondContact OE1-OH 3.18Å |
| 41 | V | 69.9 | Low | 64.9 | Low | 119 Ų | 119 | 143.5 Ų | 143.5 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | | | trans | -93.1 | 105.9 | 169.5 | -170.6 | 0 | 0 | 0 | 0 | 108.2 | M39 Q43 | M39-V41 PolarHBondContact O-N 3.13Å; M39-V41 VanDerWaalsContact O-N 3.13Å; V41-Q43 PolarHBondContact O-N 3.47Å |
| 42 | Y | 68.9 | Low | 64.6 | Low | 186 Ų | 186 | 146.8 Ų | 146.8 | 73% | 0.729 | 79% | 0.79 | S | S | * | * | | | trans | -74.7 | 102.6 | 170.7 | -72.3 | -92.9 | 0 | 0 | 0 | 109.1 | Q40 K44 | Q40-Y42 HydrophobicContact CB-CD2 4.48Å; Q40-Y42 HydrophobicContact CB-CE2 4.02Å; Q40-Y42 PolarHBondContact OE1-OH 3.18Å; Y42-K44 PolarHBondContact O-N 3.02Å; Y42-K44 VanDerWaalsContact O-N 3.14Å |
| 43 | Q | 64 | Low | 64.9 | Low | 171 Ų | 171 | 139.4 Ų | 139.4 | 80% | 0.799 | 77% | 0.768 | S | S | * | * | | | trans | -69.9 | 107.5 | 166.1 | -82.7 | -177.9 | -1.8 | 0 | 0 | 108.9 | V41 L45 | V41-Q43 PolarHBondContact O-N 3.47Å; Q43-L45 PolarHBondContact O-N 3.15Å |
| 44 | K | 69.2 | Low | 65 | Low | 210 Ų | 210 | 138.9 Ų | 138.9 | 91% | 0.913 | 77% | 0.772 | S | S | * | * | | | trans | -70.1 | 94.8 | 171.4 | -152.4 | 176.1 | -171.8 | -180 | 0 | 107.5 | Y42 G46 | Y42-K44 PolarHBondContact O-N 3.02Å; Y42-K44 VanDerWaalsContact O-N 3.14Å; K44-G46 PolarHBondContact O-N 3.38Å |
| 45 | L | 60.5 | Low | 65 | Low | 156 Ų | 156 | 136.3 Ų | 136.3 | 82% | 0.817 | 76% | 0.763 | S | S | * | * | | | trans | -63.3 | 99.5 | 173.9 | -78.6 | 162 | 0 | 0 | 0 | 108.7 | Q43 V47 | Q43-L45 PolarHBondContact O-N 3.15Å; L45-V47 PolarHBondContact O-N 3.22Å |
| 46 | G | 63.6 | Low | 64.9 | Low | 63 Ų | 63 | 139.3 Ų | 139.3 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | | | trans | -64.4 | 116.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | K44 V48 | K44-G46 PolarHBondContact O-N 3.38Å; G46-V48 PolarHBondContact O-N 2.93Å |
| 47 | V | 60.6 | Low | 64.9 | Low | 136 Ų | 136 | 141.8 Ų | 141.8 | 82% | 0.824 | 76% | 0.763 | S | S | * | * | | | trans | -67.3 | 99 | 173.3 | -177.1 | 0 | 0 | 0 | 0 | 107.5 | L45 N49 | L45-V47 PolarHBondContact O-N 3.22Å; V47-N49 PolarHBondContact O-N 3.2Å |
| 48 | V | 58.2 | Low | 64.3 | Low | 121 Ų | 121 | 140.9 Ų | 140.9 | 73% | 0.733 | 76% | 0.758 | S | S | * | * | | | trans | -82.9 | 108.1 | 167.6 | -175.4 | 0 | 0 | 0 | 0 | 106.7 | G46 V50 | G46-V48 PolarHBondContact O-N 2.93Å; V48-V50 HydrophobicContact CG1-CG2 3.95Å; V48-V50 PolarHBondContact O-N 3.14Å |
| 49 | N | 57.7 | Low | 63.7 | Low | 153 Ų | 153 | 144.4 Ų | 144.4 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | | | trans | -75.3 | 91.6 | 178.8 | -148.9 | 4.5 | 0 | 0 | 0 | 108.4 | V47 | V47-N49 PolarHBondContact O-N 3.2Š|
| 50 | V | 59.4 | Low | 63.3 | Low | 99 Ų | 99 | 145.7 Ų | 145.7 | 60% | 0.6 | 76% | 0.762 | S | S | * | * | | | trans | -89.8 | 114.3 | 178.9 | -169.8 | 0 | 0 | 0 | 0 | 108.5 | V48 | V48-V50 HydrophobicContact CG1-CG2 3.95Å; V48-V50 PolarHBondContact O-N 3.14Å |
| 51 | S | 62.2 | Low | 62.9 | Low | 100 Ų | 100 | 147.6 Ų | 147.6 | 70% | 0.699 | 77% | 0.768 | S | S | * | * | | | trans | -56.9 | 136.8 | 174.7 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | G53 | S51-G53 VanDerWaalsContact C-N 3.31Å; S51-G53 PolarHBondContact O-N 3Å |
| 52 | P | 54 | Low | 62.1 | Low | 143 Ų | 143 | 150 Ų | 150 | 93% | 0.929 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -75.8 | 84.2 | -178.5 | 30.8 | -33.1 | 0 | 0 | 0 | 109.6 | | |
| 53 | G | 62.6 | Low | 61.5 | Low | 48 Ų | 48 | 145.4 Ų | 145.4 | 50% | 0.495 | 77% | 0.772 | S | S | . | * | S | Bend | trans | 177.7 | 117 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | S51 | S51-G53 VanDerWaalsContact C-N 3.31Å; S51-G53 PolarHBondContact O-N 3Å |
| 54 | F | 60.7 | Low | 61.1 | Low | 203 Ų | 203 | 143.5 Ų | 143.5 | 89% | 0.89 | 77% | 0.772 | S | S | * | * | | | trans | 76.1 | 66.5 | 175.2 | -50.7 | -86.5 | 0 | 0 | 0 | 116.7 | | |
| 55 | I | 62.9 | Low | 60.3 | Low | 136 Ų | 136 | 137 Ų | 137 | 70% | 0.697 | 77% | 0.765 | S | S | * | * | | | trans | -93.9 | 92.1 | 148.3 | -56.4 | 176.4 | 0 | 0 | 0 | 107.2 | L57 | I55-L57 HydrophobicContact CG2-CD2 4.1Å; I55-L57 PolarHBondContact O-N 3.03Å; I55-L57 HydrophobicContact CG2-CG 4.05Å |
| 56 | R | 64 | Low | 60.3 | Low | 230 Ų | 230 | 137.9 Ų | 137.9 | 87% | 0.868 | 77% | 0.769 | S | S | * | * | | | trans | -80.1 | 100.1 | 159.4 | -83 | -173.3 | 170.3 | -157.3 | -1.5 | 106.9 | P58 | R56-P58 WeakPolarHBondContact O-CD 3.45Š|
| 57 | L | 70.9 | Confident | 59.7 | Low | 137 Ų | 137 | 139.5 Ų | 139.5 | 72% | 0.717 | 77% | 0.771 | S | S | * | * | | | trans | -64 | 122.9 | 168.8 | -71.6 | 166.4 | 0 | 0 | 0 | 108.3 | I55 F59 | I55-L57 HydrophobicContact CG2-CD2 4.1Å; I55-L57 PolarHBondContact O-N 3.03Å; I55-L57 HydrophobicContact CG2-CG 4.05Å; L57-F59 VanDerWaalsContact O-N 3.15Å; L57-F59 PolarHBondContact O-N 3.2Å |
| 58 | P | 62.9 | Low | 59.8 | Low | 101 Ų | 101 | 141.3 Ų | 141.3 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | | | trans | -66.2 | 116.1 | 169.1 | 26.3 | -29.9 | 0 | 0 | 0 | 108.1 | R56 F60 | R56-P58 WeakPolarHBondContact O-CD 3.45Å; P58-F60 PolarHBondContact O-N 2.87Å |
| 59 | F | 63.4 | Low | 60.2 | Low | 196 Ų | 196 | 144.4 Ų | 144.4 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | | | trans | -57.7 | 109.8 | 167.1 | -68.5 | -88.4 | 0 | 0 | 0 | 108.2 | L57 K61 | L57-F59 VanDerWaalsContact O-N 3.15Å; L57-F59 PolarHBondContact O-N 3.2Å; F59-K61 PolarHBondContact O-N 3.07Å |
| 60 | F | 64.4 | Low | 60.5 | Low | 205 Ų | 205 | 146.6 Ų | 146.6 | 90% | 0.899 | 78% | 0.782 | S | S | * | * | | | trans | -67.5 | 85.9 | 167.4 | -80.2 | -86.9 | 0 | 0 | 0 | 108.6 | P58 | P58-F60 PolarHBondContact O-N 2.87Š|
| 61 | K | 60.6 | Low | 61 | Low | 186 Ų | 186 | 150.2 Ų | 150.2 | 81% | 0.809 | 79% | 0.792 | S | S | * | * | | | trans | -87.7 | 120.5 | 165.6 | -97.9 | -176.3 | 175.6 | -178 | 0 | 109 | F59 | F59-K61 PolarHBondContact O-N 3.07Š|
| 62 | H | 53.5 | Low | 61.4 | Low | 170 Ų | 170 | 150.6 Ų | 150.6 | 79% | 0.787 | 79% | 0.793 | S | S | * | * | | | trans | 72 | 112.2 | 147.9 | -93.3 | -90.9 | 0 | 0 | 0 | 121.1 | | |
| 63 | A | 56.1 | Low | 62.2 | Low | 90 Ų | 90 | 148 Ų | 148 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | | | | -162 | 91 | 126.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | | |
| 64 | T | 55.6 | Low | 62.8 | Low | 130 Ų | 130 | 151.2 Ų | 151.2 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | | | | 58.3 | 110.8 | 109.6 | 55.2 | 0 | 0 | 0 | 0 | 115.3 | | |
| 65 | G | 52.8 | Low | 63.2 | Low | 75 Ų | 75 | 149 Ų | 149 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | 152.7 | -5.8 | 145 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 66 | L | 59.4 | Low | 63.4 | Low | 173 Ų | 173 | 152.9 Ų | 152.9 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -138.9 | 96.4 | -173.8 | -84 | 158.8 | 0 | 0 | 0 | 113.8 | | |
| 67 | S | 51.1 | Low | 63.4 | Low | 98 Ų | 98 | 149.8 Ų | 149.8 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | | | trans | 52.3 | 111.5 | 144.9 | -164.2 | 0 | 0 | 0 | 0 | 119.6 | K69 | S67-K69 PolarHBondContact O-N 3.27Š|
| 68 | D | 62.3 | Low | 63 | Low | 173 Ų | 173 | 152.2 Ų | 152.2 | 93% | 0.925 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -57.2 | 43.9 | 170.6 | -70.6 | -62.8 | 0 | 0 | 0 | 116.7 | | |
| 69 | K | 68.1 | Low | 63 | Low | 187 Ų | 187 | 153.8 Ų | 153.8 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | | | trans | -145.1 | 27.5 | 178.6 | -65.9 | -162.7 | 179.7 | -160.5 | 0 | 115.8 | S67 E71 | S67-K69 PolarHBondContact O-N 3.27Å; K69-E71 PolarHBondContact O-N 2.97Å |
| 70 | F | 63.7 | Low | 63.7 | Low | 198 Ų | 198 | 149.5 Ų | 149.5 | 87% | 0.868 | 79% | 0.794 | S | S | * | * | | | trans | -88 | 84.6 | 174.5 | -144.2 | -93.4 | 0 | 0 | 0 | 110.6 | P72 | F70-P72 WeakPolarHBondContact O-CD 3.42Š|
| 71 | E | 70.4 | Confident | 63.9 | Low | 176 Ų | 176 | 149 Ų | 149 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | | | trans | -76 | 118 | 169.5 | -158.2 | 178.8 | -167.6 | 0 | 0 | 108.1 | K69 A73 | K69-E71 PolarHBondContact O-N 2.97Å; E71-A73 PolarHBondContact O-N 3.42Å |
| 72 | P | 70.1 | Confident | 64.5 | Low | 108 Ų | 108 | 145.3 Ų | 145.3 | 70% | 0.701 | 78% | 0.782 | S | S | * | * | | | trans | -66.7 | 109.4 | 178 | 25.4 | -30.8 | 0 | 0 | 0 | 109 | F70 | F70-P72 WeakPolarHBondContact O-CD 3.42Š|
| 73 | A | 71.6 | Confident | 65.5 | Low | 87 Ų | 87 | 142.9 Ų | 142.9 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | | | trans | -59.3 | 129.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | E71 L75 | E71-A73 PolarHBondContact O-N 3.42Å; A73-L75 PolarHBondContact O-N 2.92Å |
| 74 | P | 74.1 | Confident | 66.6 | Low | 117 Ų | 117 | 141.8 Ų | 141.8 | 76% | 0.76 | 77% | 0.767 | S | S | * | * | | | trans | -62.1 | 124.3 | 178.9 | 21.7 | -29.8 | 0 | 0 | 0 | 109.6 | R76 | P74-R76 PolarHBondContact O-N 2.86Š|
| 75 | L | 69.9 | Low | 67.6 | Low | 156 Ų | 156 | 141.6 Ų | 141.6 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | | | trans | -54 | 103.6 | 169.7 | -77.9 | 157.8 | 0 | 0 | 0 | 108 | A73 H77 | A73-L75 PolarHBondContact O-N 2.92Å; L75-H77 VanDerWaalsContact C-N 3.31Å; L75-H77 PolarHBondContact O-N 2.9Å |
| 76 | R | 65.7 | Low | 68.8 | Low | 218 Ų | 218 | 142.4 Ų | 142.4 | 82% | 0.823 | 76% | 0.755 | S | S | * | * | | | trans | -63.9 | 96.3 | 171.2 | -72.9 | -172.1 | 170.2 | -168.1 | -2.4 | 107.3 | P74 F78 | P74-R76 PolarHBondContact O-N 2.86Å; R76-F78 HydrophobicContact CB-CE2 4.38Å; R76-F78 WeakPolarHBondContact O-CD2 3.41Å; R76-F78 PolarHBondContact O-N 3.02Å |
| 77 | H | 65.5 | Low | 69.7 | Low | 165 Ų | 165 | 137.6 Ų | 137.6 | 76% | 0.764 | 73% | 0.733 | S | S | * | * | | | trans | -63.7 | 104 | 167.3 | -83.5 | -86 | 0 | 0 | 0 | 107.8 | L75 I79 | L75-H77 VanDerWaalsContact C-N 3.31Å; L75-H77 PolarHBondContact O-N 2.9Å; H77-I79 PolarHBondContact O-N 3.09Å |
| 78 | F | 62.4 | Low | 71 | Confident | 188 Ų | 188 | 139.1 Ų | 139.1 | 83% | 0.825 | 74% | 0.741 | S | S | * | * | | | trans | -71.3 | 94.9 | 166.2 | -72.4 | -88.2 | 0 | 0 | 0 | 107.8 | R76 S80 | R76-F78 HydrophobicContact CB-CE2 4.38Å; R76-F78 WeakPolarHBondContact O-CD2 3.41Å; R76-F78 PolarHBondContact O-N 3.02Å; F78-S80 VanDerWaalsContact O-N 3.09Å; F78-S80 PolarHBondContact O-N 3.04Å; F78-S80 VanDerWaalsContact C-N 3.31Å |
| 79 | I | 62.5 | Low | 72 | Confident | 134 Ų | 134 | 135.9 Ų | 135.9 | 69% | 0.687 | 73% | 0.732 | S | S | * | * | | | trans | -74.6 | 93.1 | 164.1 | -57.7 | 172.2 | 0 | 0 | 0 | 105.8 | H77 Y81 | H77-I79 PolarHBondContact O-N 3.09Å; I79-Y81 PolarHBondContact O-N 3.47Å |
| 80 | S | 77.6 | Confident | 72.5 | Confident | 106 Ų | 106 | 131.1 Ų | 131.1 | 74% | 0.741 | 72% | 0.719 | S | S | * | * | P | Polyproline II helix | trans | -78 | 116.1 | 164.6 | 55.2 | 0 | 0 | 0 | 0 | 107.9 | F78 | F78-S80 VanDerWaalsContact O-N 3.09Å; F78-S80 PolarHBondContact O-N 3.04Å; F78-S80 VanDerWaalsContact C-N 3.31Å |
| 81 | Y | 69.5 | Low | 73 | Confident | 194 Ų | 194 | 124.4 Ų | 124.4 | 76% | 0.761 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 143.8 | 167.2 | -68 | -85.8 | 0 | 0 | 0 | 109.5 | I79 | I79-Y81 PolarHBondContact O-N 3.47Š|
| 82 | P | 73.2 | Confident | 73.3 | Confident | 109 Ų | 109 | 122.8 Ų | 122.8 | 71% | 0.708 | 70% | 0.696 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 142.1 | 178.4 | 24 | -32.3 | 0 | 0 | 0 | 110.1 | C84 | P82-C84 PolarHBondContact O-N 3.27Š|
| 83 | P | 74.4 | Confident | 73 | Confident | 119 Ų | 119 | 124 Ų | 124 | 77% | 0.773 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -62 | 128.9 | 179.5 | 26.5 | -33.3 | 0 | 0 | 0 | 108.8 | V85 | P83-V85 PolarHBondContact O-N 3.35Š|
| 84 | C | 78 | Confident | 73 | Confident | 66 Ų | 66 | 125.8 Ų | 125.8 | 45% | 0.446 | 70% | 0.704 | S | S | . | * | P | Polyproline II helix | trans | -77.8 | 118.2 | -178.4 | -147 | 0 | 0 | 0 | 0 | 110.3 | P82 V86 C93 | P82-C84 PolarHBondContact O-N 3.27Å; C84-V86 PolarHBondContact O-N 3.46Å; C84-C93 CovalentContact SG-SG 1.99Å; C84-C93 PolarHBondContact SG-SG 3.1Å; C84-C93 WeakPolarHBondContact SG-CB 3.15Å; C84-C93 WeakPolarHBondContact SG-CA 2.87Å; C84-C93 WeakPolarHBondContact CB-SG 2.75Å; C84-C93 HydrophobicContact CB-CB 3.64Å |
| 85 | V | 77.8 | Confident | 73 | Confident | 127 Ų | 127 | 126.3 Ų | 126.3 | 77% | 0.77 | 70% | 0.701 | S | S | * | * | | | trans | -85.3 | 112.2 | 175.5 | -177 | 0 | 0 | 0 | 0 | 107.7 | P83 T87 | P83-V85 PolarHBondContact O-N 3.35Å; V85-T87 PolarHBondContact O-N 1.99Å |
| 86 | V | 77.3 | Confident | 73.2 | Confident | 91 Ų | 91 | 124.6 Ų | 124.6 | 55% | 0.552 | 70% | 0.695 | S | S | * | * | | | trans | -65.5 | 118.8 | 179.9 | -178.2 | 0 | 0 | 0 | 0 | 109.1 | C84 | C84-V86 PolarHBondContact O-N 3.46Š|
| 87 | T | 78.7 | Confident | 73.6 | Confident | 72 Ų | 72 | 119.1 Ų | 119.1 | 44% | 0.442 | 69% | 0.687 | S | S | . | * | | | trans | -78.5 | 124.3 | 176.5 | -31.6 | 0 | 0 | 0 | 0 | 109.1 | V85 S89 T90 G91 K92 | V85-T87 PolarHBondContact O-N 1.99Å; T87-S89 PolarHBondContact O-N 3.49Å; T87-S89 VanDerWaalsContact O-N 3.1Å; T87-T90 PolarHBondContact O-N 3.21Å; T87-G91 PolarHBondContact O-N 3.09Å; T87-K92 PolarHBondContact N-O 3.33Å |
| 88 | P | 77.6 | Confident | 74.1 | Confident | 130 Ų | 130 | 116.3 Ų | 116.3 | 84% | 0.844 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.3 | -26.1 | -173.7 | -24.4 | 32.4 | 0 | 0 | 0 | 114.6 | | |
| 89 | S | 84 | Confident | 74.9 | Confident | 105 Ų | 105 | 111.5 Ų | 111.5 | 73% | 0.734 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -28.7 | -174.8 | 54.7 | 0 | 0 | 0 | 0 | 114.1 | T87 | T87-S89 PolarHBondContact O-N 3.49Å; T87-S89 VanDerWaalsContact O-N 3.1Å |
| 90 | T | 78.1 | Confident | 75.8 | Confident | 87 Ų | 87 | 109.9 Ų | 109.9 | 53% | 0.534 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -118.7 | -14.1 | -174.7 | 56.5 | 0 | 0 | 0 | 0 | 113.1 | T87 K92 | T87-T90 PolarHBondContact O-N 3.21Å; T90-K92 PolarHBondContact O-N 3Å; T90-K92 VanDerWaalsContact O-N 3.09Å |
| 91 | G | 75.5 | Confident | 75.6 | Confident | 58 Ų | 58 | 110.2 Ų | 110.2 | 60% | 0.598 | 67% | 0.667 | S | S | * | * | | | trans | 62.6 | 13.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | T87 | T87-G91 PolarHBondContact O-N 3.09Š|
| 92 | K | 75.4 | Confident | 76.2 | Confident | 142 Ų | 142 | 103.2 Ų | 103.2 | 62% | 0.617 | 66% | 0.659 | S | S | * | * | | | trans | -99.5 | 134.9 | -178.8 | -71.8 | -174.8 | -178 | -178.8 | 0 | 110.5 | T87 T90 | T87-K92 PolarHBondContact N-O 3.33Å; T90-K92 PolarHBondContact O-N 3Å; T90-K92 VanDerWaalsContact O-N 3.09Å |
| 93 | C | 64 | Low | 76.4 | Confident | 132 Ų | 132 | 102.6 Ų | 102.6 | 89% | 0.892 | 66% | 0.655 | S | S | * | * | | | trans | -78.8 | 0 | 137 | 174.1 | 0 | 0 | 0 | 0 | 107.6 | C84 | C84-C93 CovalentContact SG-SG 1.99Å; C84-C93 PolarHBondContact SG-SG 3.1Å; C84-C93 WeakPolarHBondContact SG-CB 3.15Å; C84-C93 WeakPolarHBondContact SG-CA 2.87Å; C84-C93 WeakPolarHBondContact CB-SG 2.75Å; C84-C93 HydrophobicContact CB-CB 3.64Å |