| 1 | M | 50.9 | Low | 71.1 | Confident | 248 Ų | 248 | 168.4 Ų | 168.4 | 100% | 1.222 | 81% | 0.809 | S | S | * | * | | | | 0 | 118.2 | 0 | -126.4 | 148.5 | 154.5 | 0 | 0 | 105.9 | Q3 | M1-Q3 PolarHBondContact O-N 3.19Š|
| 2 | A | 61.7 | Low | 71.8 | Confident | 80 Ų | 80 | 166.8 Ų | 166.8 | 66% | 0.661 | 80% | 0.8 | S | S | * | * | | | trans | -73.2 | 121.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | F4 | A2-F4 HydrophobicContact CB-CE2 4.3Å; A2-F4 HydrophobicContact CB-CZ 4.49Å |
| 3 | Q | 64.7 | Low | 71.7 | Confident | 159 Ų | 159 | 158.9 Ų | 158.9 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | | | trans | -83.2 | 113.2 | 175.7 | -170.8 | 163.4 | -50.1 | 0 | 0 | 107.3 | M1 D5 | M1-Q3 PolarHBondContact O-N 3.19Å; Q3-D5 PolarHBondContact NE2-OD1 3.5Å; Q3-D5 PolarHBondContact O-N 3.42Å |
| 4 | F | 66 | Low | 71.4 | Confident | 168 Ų | 168 | 155.8 Ų | 155.8 | 74% | 0.737 | 78% | 0.781 | S | S | * | * | | | trans | -86.7 | 93.3 | 174 | -67.1 | -84.3 | 0 | 0 | 0 | 107.2 | A2 T6 | A2-F4 HydrophobicContact CB-CE2 4.3Å; A2-F4 HydrophobicContact CB-CZ 4.49Å; F4-T6 PolarHBondContact O-N 3.33Å |
| 5 | D | 68.9 | Low | 71 | Confident | 125 Ų | 125 | 159.5 Ų | 159.5 | 67% | 0.668 | 78% | 0.784 | S | S | * | * | | | trans | -74.1 | 59.2 | 171.7 | -64.4 | -62.2 | 0 | 0 | 0 | 110 | Q3 E7 | Q3-D5 PolarHBondContact NE2-OD1 3.5Å; Q3-D5 PolarHBondContact O-N 3.42Å; D5-E7 PolarHBondContact O-N 2.89Å |
| 6 | T | 73.3 | Confident | 70.5 | Confident | 110 Ų | 110 | 156.4 Ų | 156.4 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | | | trans | -92.9 | 99.1 | 174.2 | 54.1 | 0 | 0 | 0 | 0 | 108.6 | F4 | F4-T6 PolarHBondContact O-N 3.33Š|
| 7 | E | 79.9 | Confident | 70.3 | Confident | 173 Ų | 173 | 156.1 Ų | 156.1 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | | | trans | -63.6 | 139.2 | 173.5 | -67 | -66.5 | 98.8 | 0 | 0 | 110.4 | D5 Q9 | D5-E7 PolarHBondContact O-N 2.89Å; E7-Q9 PolarHBondContact O-N 3.14Å; E7-Q9 VanDerWaalsContact O-N 3.14Å |
| 8 | Y | 77.9 | Confident | 70 | Confident | 242 Ų | 242 | 151.9 Ų | 151.9 | 95% | 0.949 | 77% | 0.773 | S | S | * | * | | | trans | -63.7 | 114.5 | 176.1 | -80.6 | -88.3 | 0 | 0 | 0 | 110.3 | | |
| 9 | Q | 78.8 | Confident | 69.8 | Low | 164 Ų | 164 | 149.2 Ų | 149.2 | 77% | 0.766 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 123.7 | 172.1 | -172.5 | 162.5 | -0 | 0 | 0 | 110.5 | E7 | E7-Q9 PolarHBondContact O-N 3.14Å; E7-Q9 VanDerWaalsContact O-N 3.14Å |
| 10 | R | 81 | Confident | 69.6 | Low | 230 Ų | 230 | 148.7 Ų | 148.7 | 87% | 0.868 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -76 | 127.2 | 174.5 | -176.2 | 178.6 | -72.3 | -170.3 | -2.2 | 109 | | |
| 11 | L | 79.6 | Confident | 69.3 | Low | 153 Ų | 153 | 144.1 Ų | 144.1 | 80% | 0.801 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 136.8 | 175.8 | -62.5 | 172.5 | 0 | 0 | 0 | 110.4 | A13 | L11-A13 PolarHBondContact O-N 3.21Š|
| 12 | E | 79.3 | Confident | 69.6 | Low | 149 Ų | 149 | 140 Ų | 140 | 70% | 0.696 | 74% | 0.74 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 116.7 | 172.3 | -62.8 | 73.6 | -162.7 | 0 | 0 | 108.7 | S14 | E12-S14 PolarHBondContact O-N 2.84Å; E12-S14 VanDerWaalsContact O-N 3.13Å |
| 13 | A | 70.8 | Confident | 69.5 | Low | 65 Ų | 65 | 144.7 Ų | 144.7 | 54% | 0.537 | 75% | 0.748 | S | S | . | * | | | trans | -67.7 | 112.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 107.5 | L11 Y15 | L11-A13 PolarHBondContact O-N 3.21Å; A13-Y15 HydrophobicContact CB-CE2 3.73Å; A13-Y15 PolarHBondContact O-N 3.13Å; A13-Y15 WeakPolarHBondContact O-CD2 3.17Å; A13-Y15 HydrophobicContact CB-CD2 4.08Å; A13-Y15 VanDerWaalsContact C-N 3.27Å |
| 14 | S | 67.3 | Low | 69.4 | Low | 115 Ų | 115 | 143.4 Ų | 143.4 | 80% | 0.804 | 75% | 0.747 | S | S | * | * | | | trans | -64 | 91 | 169 | -64.7 | 0 | 0 | 0 | 0 | 108.7 | E12 S16 | E12-S14 PolarHBondContact O-N 2.84Å; E12-S14 VanDerWaalsContact O-N 3.13Å; S14-S16 PolarHBondContact O-N 2.85Å |
| 15 | Y | 64.5 | Low | 69.2 | Low | 211 Ų | 211 | 142.6 Ų | 142.6 | 83% | 0.827 | 75% | 0.749 | S | S | * | * | | | trans | -73.5 | 57.3 | 171.7 | -73.3 | -84.9 | 0 | 0 | 0 | 110.5 | A13 | A13-Y15 HydrophobicContact CB-CE2 3.73Å; A13-Y15 PolarHBondContact O-N 3.13Å; A13-Y15 WeakPolarHBondContact O-CD2 3.17Å; A13-Y15 HydrophobicContact CB-CD2 4.08Å; A13-Y15 VanDerWaalsContact C-N 3.27Å |
| 16 | S | 63.7 | Low | 69.2 | Low | 111 Ų | 111 | 144 Ų | 144 | 78% | 0.776 | 76% | 0.756 | S | S | * | * | | | trans | -123 | 25.1 | 178.3 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | S14 | S14-S16 PolarHBondContact O-N 2.85Š|
| 17 | D | 66.7 | Low | 68.9 | Low | 151 Ų | 151 | 144.6 Ų | 144.6 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | | | trans | -133.3 | 41.5 | 173.3 | -152.3 | -104.9 | 0 | 0 | 0 | 110 | P19 | D17-P19 WeakPolarHBondContact O-CD 3.33Š|
| 18 | S | 64.9 | Low | 68.2 | Low | 81 Ų | 81 | 144.1 Ų | 144.1 | 57% | 0.566 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 117.6 | 159.1 | -72.3 | 0 | 0 | 0 | 0 | 106.2 | | |
| 19 | P | 66.8 | Low | 67.7 | Low | 99 Ų | 99 | 138.1 Ų | 138.1 | 64% | 0.643 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -57 | 128.9 | 177.7 | 21 | -30.4 | 0 | 0 | 0 | 108.8 | D17 G21 | D17-P19 WeakPolarHBondContact O-CD 3.33Å; P19-G21 PolarHBondContact O-N 3.16Å; P19-G21 VanDerWaalsContact O-N 3.16Å |
| 20 | P | 65 | Low | 66.9 | Low | 139 Ų | 139 | 134 Ų | 134 | 90% | 0.903 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | 118.8 | 175.4 | 25.4 | -30.8 | 0 | 0 | 0 | 108.1 | | |
| 21 | G | 63.5 | Low | 65.9 | Low | 54 Ų | 54 | 131.3 Ų | 131.3 | 56% | 0.557 | 74% | 0.736 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 139.1 | 16.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | P19 E23 | P19-G21 PolarHBondContact O-N 3.16Å; P19-G21 VanDerWaalsContact O-N 3.16Å; G21-E23 PolarHBondContact O-N 3.4Å |
| 22 | E | 56.8 | Low | 65.2 | Low | 160 Ų | 160 | 127.1 Ų | 127.1 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | 5.9 | 170.5 | 62.9 | -176.2 | 145 | 0 | 0 | 114.1 | | |
| 23 | E | 60.3 | Low | 64.3 | Low | 179 Ų | 179 | 125.1 Ų | 125.1 | 84% | 0.836 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.8 | -12.6 | -177.6 | 65.9 | -170.3 | 138 | 0 | 0 | 115.3 | G21 | G21-E23 PolarHBondContact O-N 3.4Š|
| 24 | D | 61.5 | Low | 63.7 | Low | 132 Ų | 132 | 131.5 Ų | 131.5 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | | | trans | -106.3 | 82.8 | 168 | -95.2 | -25.8 | 0 | 0 | 0 | 109.2 | L26 | D24-L26 PolarHBondContact O-N 2.72Š|
| 25 | L | 63.8 | Low | 63.4 | Low | 152 Ų | 152 | 130.7 Ų | 130.7 | 80% | 0.796 | 74% | 0.742 | S | S | * | * | | | trans | -61.9 | 85.7 | 158.4 | -66.3 | 174.6 | 0 | 0 | 0 | 106.8 | V27 | L25-V27 WeakPolarHBondContact O-CG2 3.45Å; L25-V27 PolarHBondContact O-N 2.76Å |
| 26 | L | 68.1 | Low | 63.2 | Low | 155 Ų | 155 | 124.9 Ų | 124.9 | 81% | 0.812 | 73% | 0.73 | S | S | * | * | | | trans | -58.8 | 93.2 | 170.7 | -67.1 | 174.2 | 0 | 0 | 0 | 106.7 | D24 H28 | D24-L26 PolarHBondContact O-N 2.72Å; L26-H28 PolarHBondContact O-N 3.22Å |
| 27 | V | 66.9 | Low | 63.1 | Low | 121 Ų | 121 | 131.6 Ų | 131.6 | 73% | 0.733 | 74% | 0.739 | S | S | * | * | | | trans | -61.1 | 109.6 | 178.7 | -177.1 | 0 | 0 | 0 | 0 | 105.6 | L25 V29 | L25-V27 WeakPolarHBondContact O-CG2 3.45Å; L25-V27 PolarHBondContact O-N 2.76Å; V27-V29 PolarHBondContact O-N 2.94Å; V27-V29 VanDerWaalsContact C-N 3.31Å |
| 28 | H | 65.4 | Low | 62.8 | Low | 164 Ų | 164 | 132 Ų | 132 | 76% | 0.759 | 74% | 0.735 | S | S | * | * | | | trans | -63 | 97.5 | 174.8 | -179.2 | 80.1 | 0 | 0 | 0 | 108.2 | L26 A30 | L26-H28 PolarHBondContact O-N 3.22Å; H28-A30 PolarHBondContact O-N 2.82Å |
| 29 | V | 66.2 | Low | 62.9 | Low | 116 Ų | 116 | 135.1 Ų | 135.1 | 70% | 0.703 | 74% | 0.74 | S | S | * | * | | | trans | -70.4 | 109.9 | 162.4 | 177.6 | 0 | 0 | 0 | 0 | 104.8 | V27 E31 | V27-V29 PolarHBondContact O-N 2.94Å; V27-V29 VanDerWaalsContact C-N 3.31Å; V29-E31 PolarHBondContact O-N 2.8Å |
| 30 | A | 62.9 | Low | 63 | Low | 76 Ų | 76 | 136 Ų | 136 | 63% | 0.628 | 74% | 0.739 | S | S | * | * | | | trans | -61.5 | 99 | 167.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | H28 G32 | H28-A30 PolarHBondContact O-N 2.82Å; A30-G32 PolarHBondContact O-N 3.12Å; A30-G32 VanDerWaalsContact O-N 3.12Å |
| 31 | E | 61 | Low | 63.4 | Low | 175 Ų | 175 | 135.7 Ų | 135.7 | 82% | 0.818 | 73% | 0.725 | S | S | * | * | | | trans | -52.8 | 122 | -179 | -149.9 | -180 | 162.1 | 0 | 0 | 107.5 | V29 S33 | V29-E31 PolarHBondContact O-N 2.8Å; E31-S33 PolarHBondContact O-N 3.41Å |
| 32 | G | 64.3 | Low | 63.4 | Low | 64 Ų | 64 | 137.9 Ų | 137.9 | 66% | 0.66 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -52.6 | 137.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110 | A30 | A30-G32 PolarHBondContact O-N 3.12Å; A30-G32 VanDerWaalsContact O-N 3.12Å |
| 33 | S | 60 | Low | 64 | Low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 78.1 | 88.7 | -165.9 | 76.4 | 0 | 0 | 0 | 0 | 113.4 | E31 S35 | E31-S33 PolarHBondContact O-N 3.41Å; S33-S35 PolarHBondContact O-N 3.19Å |
| 34 | K | 58.9 | Low | 64.4 | Low | 199 Ų | 199 | 133.6 Ų | 133.6 | 87% | 0.865 | 71% | 0.712 | S | S | * | * | | | trans | -49.3 | 95 | 154 | -67.6 | -177.8 | 176.3 | -178.5 | 0 | 107.9 | P36 | K34-P36 VanDerWaalsContact O-CD 3.23Å; K34-P36 WeakPolarHBondContact O-CD 3.23Å; K34-P36 VanDerWaalsContact O-N 3.08Å |
| 35 | S | 60.4 | Low | 64.8 | Low | 97 Ų | 97 | 133.9 Ų | 133.9 | 68% | 0.678 | 71% | 0.712 | S | S | * | * | | | trans | -55.2 | 113.5 | 145.7 | -72.6 | 0 | 0 | 0 | 0 | 104.1 | S33 W37 | S33-S35 PolarHBondContact O-N 3.19Å; S35-W37 PolarHBondContact O-N 2.68Å |
| 36 | P | 60.2 | Low | 64.8 | Low | 89 Ų | 89 | 134.5 Ų | 134.5 | 58% | 0.578 | 71% | 0.709 | S | S | * | * | | | trans | -57.3 | 133.7 | 178.1 | 24.5 | -30.6 | 0 | 0 | 0 | 105.7 | K34 H38 | K34-P36 VanDerWaalsContact O-CD 3.23Å; K34-P36 WeakPolarHBondContact O-CD 3.23Å; K34-P36 VanDerWaalsContact O-N 3.08Å; P36-H38 HydrophobicContact CB-CB 4.43Å; P36-H38 PolarHBondContact O-N 2.75Å |
| 37 | W | 61.4 | Low | 64.4 | Low | 253 Ų | 253 | 139.2 Ų | 139.2 | 96% | 0.958 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -63.7 | 34.9 | 173 | -90.4 | 75 | 0 | 0 | 0 | 112.4 | S35 | S35-W37 PolarHBondContact O-N 2.68Š|
| 38 | H | 61.2 | Low | 64.2 | Low | 158 Ų | 158 | 140.1 Ų | 140.1 | 73% | 0.731 | 72% | 0.723 | S | S | * | * | | | trans | -142.8 | 34.5 | -169.5 | -52.3 | 108.7 | 0 | 0 | 0 | 111.6 | P36 I40 | P36-H38 HydrophobicContact CB-CB 4.43Å; P36-H38 PolarHBondContact O-N 2.75Å; H38-I40 PolarHBondContact O-N 3.11Å; H38-I40 VanDerWaalsContact O-N 3.11Å |
| 39 | H | 65.9 | Low | 64.2 | Low | 147 Ų | 147 | 138.8 Ų | 138.8 | 68% | 0.681 | 72% | 0.721 | S | S | * | * | | | trans | -83.4 | 53 | 167.6 | -167 | -75.3 | 0 | 0 | 0 | 110.8 | E41 | H39-E41 IonicContact CE1-OE1 3.67Å; H39-E41 IonicContact NE2-OE1 3.53Å |
| 40 | I | 69.3 | Low | 64.1 | Low | 118 Ų | 118 | 140.1 Ų | 140.1 | 61% | 0.605 | 72% | 0.722 | S | S | * | * | | | trans | -99.9 | 93.3 | 166.9 | -56 | 174.3 | 0 | 0 | 0 | 106.3 | H38 L43 | H38-I40 PolarHBondContact O-N 3.11Å; H38-I40 VanDerWaalsContact O-N 3.11Å; I40-L43 HydrophobicContact CB-CD2 4.48Å; I40-L43 HydrophobicContact CG2-CD2 3.69Å; I40-L43 HydrophobicContact CG2-CG 4.08Å |
| 41 | E | 72.8 | Confident | 64.1 | Low | 133 Ų | 133 | 143.9 Ų | 143.9 | 62% | 0.621 | 73% | 0.727 | S | S | * | * | | | trans | -72.7 | 145.7 | 167.3 | -61.5 | -176.2 | 159.7 | 0 | 0 | 109.1 | H39 | H39-E41 IonicContact CE1-OE1 3.67Å; H39-E41 IonicContact NE2-OE1 3.53Å |
| 42 | N | 63.4 | Low | 64.3 | Low | 99 Ų | 99 | 141.9 Ų | 141.9 | 53% | 0.529 | 72% | 0.721 | S | S | . | * | | | trans | 78.1 | 34.8 | 172.9 | -43.8 | -73.9 | 0 | 0 | 0 | 118 | D44 L45 | N42-D44 PolarHBondContact O-N 3.18Å; N42-L45 HydrophobicContact CB-CD1 3.54Å; N42-L45 HydrophobicContact CB-CG 3.92Å; N42-L45 PolarHBondContact O-N 3.24Å |
| 43 | L | 69.6 | Low | 64.3 | Low | 103 Ų | 103 | 147.1 Ų | 147.1 | 54% | 0.539 | 73% | 0.726 | S | S | . | * | G | 310 helix | trans | -59.8 | -26.7 | 169.7 | -68.8 | 175.2 | 0 | 0 | 0 | 113.2 | I40 L45 F46 | I40-L43 HydrophobicContact CB-CD2 4.48Å; I40-L43 HydrophobicContact CG2-CD2 3.69Å; I40-L43 HydrophobicContact CG2-CG 4.08Å; L43-L45 PolarHBondContact O-N 3.27Å; L43-F46 PolarHBondContact O-N 3.27Å |
| 44 | D | 69.8 | Low | 64.6 | Low | 147 Ų | 147 | 149.9 Ų | 149.9 | 79% | 0.786 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -69.5 | -12.7 | 177.9 | -59.1 | -39.1 | 0 | 0 | 0 | 113.9 | N42 F46 | N42-D44 PolarHBondContact O-N 3.18Å; D44-F46 PolarHBondContact O-N 3.46Å |
| 45 | L | 69.1 | Low | 65.1 | Low | 137 Ų | 137 | 146.2 Ų | 146.2 | 72% | 0.717 | 71% | 0.713 | S | S | * | * | G | 310 helix | trans | -79.6 | -5.8 | 175.4 | -64.6 | 177.4 | 0 | 0 | 0 | 113.1 | N42 L43 | N42-L45 HydrophobicContact CB-CD1 3.54Å; N42-L45 HydrophobicContact CB-CG 3.92Å; N42-L45 PolarHBondContact O-N 3.24Å; L43-L45 PolarHBondContact O-N 3.27Å |
| 46 | F | 63.9 | Low | 65.5 | Low | 166 Ų | 166 | 150.3 Ų | 150.3 | 73% | 0.728 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -106.7 | 6 | -175.9 | -65 | -81.1 | 0 | 0 | 0 | 114.6 | L43 D44 | L43-F46 PolarHBondContact O-N 3.27Å; D44-F46 PolarHBondContact O-N 3.46Å |
| 47 | F | 59 | Low | 65.9 | Low | 253 Ų | 253 | 155.8 Ų | 155.8 | 100% | 1.11 | 73% | 0.728 | S | S | * | * | | | trans | -122.4 | 0 | 175.8 | -70.2 | -73.1 | 0 | 0 | 0 | 112.6 | | |