| 1 | R | 39.5 | Very low | 52 | Low | 303 Ų | 303 | 158.3 Ų | 158.3 | 100% | 1.143 | 82% | 0.821 | S | S | * | * | | | | 0 | 105.1 | 0 | -75.5 | 178.6 | 177.8 | 162.2 | -1.2 | 106.9 | | |
| 2 | L | 48.9 | Very low | 52.6 | Low | 186 Ų | 186 | 153.6 Ų | 153.6 | 97% | 0.974 | 80% | 0.798 | S | S | * | * | | | trans | -113.8 | 99.4 | 169.9 | -72.9 | 172 | 0 | 0 | 0 | 106.4 | | |
| 3 | A | 51.5 | Low | 53.3 | Low | 95 Ų | 95 | 152.4 Ų | 152.4 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | | | trans | -114.4 | 80.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.2 | | |
| 4 | N | 58.6 | Low | 54.5 | Low | 151 Ų | 151 | 148.9 Ų | 148.9 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | | | trans | -124 | 83 | 162.5 | -96.6 | -2.7 | 0 | 0 | 0 | 106.4 | | |
| 5 | R | 60.8 | Low | 56.5 | Low | 234 Ų | 234 | 142.9 Ų | 142.9 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -163.8 | 85.9 | 169.2 | -127.5 | -174.6 | -169.3 | -172.2 | 3.3 | 106.7 | | |
| 6 | M | 51.9 | Low | 58.2 | Low | 182 Ų | 182 | 144.8 Ų | 144.8 | 90% | 0.897 | 75% | 0.75 | S | S | * | * | S | Bend | trans | 163.1 | 10 | 161.6 | -90 | 154.5 | 82 | 0 | 0 | 113.7 | | |
| 7 | S | 45.7 | Very low | 59.9 | Low | 69 Ų | 69 | 145.1 Ų | 145.1 | 48% | 0.483 | 75% | 0.747 | S | S | . | * | S | Bend | trans | -97.5 | -7.4 | 178.7 | 51.9 | 0 | 0 | 0 | 0 | 115.4 | A9 S10 | S7-A9 VanDerWaalsContact C-N 3.25Å; S7-A9 PolarHBondContact O-N 3.49Å; S7-S10 PolarHBondContact O-OG 3.12Å |
| 8 | D | 53.4 | Low | 61.4 | Low | 169 Ų | 169 | 144.1 Ų | 144.1 | 90% | 0.904 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -5.2 | 178.3 | -71.5 | -53.2 | 0 | 0 | 0 | 114 | | |
| 9 | A | 53.1 | Low | 62.9 | Low | 89 Ų | 89 | 140.7 Ų | 140.7 | 74% | 0.736 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -7.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | S7 | S7-A9 VanDerWaalsContact C-N 3.25Å; S7-A9 PolarHBondContact O-N 3.49Å |
| 10 | S | 53.5 | Low | 64.3 | Low | 82 Ų | 82 | 139 Ų | 139 | 57% | 0.573 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -106.3 | -9 | -168.9 | 59.4 | 0 | 0 | 0 | 0 | 115.6 | S7 | S7-S10 PolarHBondContact O-OG 3.12Š|
| 11 | E | 55.4 | Low | 65.6 | Low | 181 Ų | 181 | 136.4 Ų | 136.4 | 85% | 0.846 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -94.6 | -1.5 | -176.4 | -69.2 | -174 | 168.4 | 0 | 0 | 114.2 | | |
| 12 | N | 59.1 | Low | 68.2 | Low | 102 Ų | 102 | 125.3 Ų | 125.3 | 55% | 0.545 | 67% | 0.667 | S | S | . | * | | | trans | -146.6 | 74.9 | 179.6 | -147.1 | -5.4 | 0 | 0 | 0 | 111.7 | Q14 | N12-Q14 PolarHBondContact O-N 3.49Å; N12-Q14 VanDerWaalsContact O-N 3.08Å; N12-Q14 WeakPolarHBondContact OD1-CG 3.16Å |
| 13 | T | 61 | Low | 70.3 | Confident | 138 Ų | 138 | 122.6 Ų | 122.6 | 85% | 0.847 | 64% | 0.643 | S | S | * | * | | | trans | -77.1 | 25.3 | 173.8 | 61.9 | 0 | 0 | 0 | 0 | 112.4 | | |
| 14 | Q | 71.3 | Confident | 72.3 | Confident | 103 Ų | 103 | 124.6 Ų | 124.6 | 48% | 0.481 | 64% | 0.635 | S | S | . | * | | | trans | -71.8 | 129.9 | 169.5 | -69.3 | -177.2 | -17.1 | 0 | 0 | 107.7 | N12 Y16 L19 | N12-Q14 PolarHBondContact O-N 3.49Å; N12-Q14 VanDerWaalsContact O-N 3.08Å; N12-Q14 WeakPolarHBondContact OD1-CG 3.16Å; Q14-Y16 PolarHBondContact O-N 2.76Å; Q14-L19 HydrophobicContact CB-CD1 4.21Å; Q14-L19 HydrophobicContact CB-CD2 4.17Å; Q14-L19 HydrophobicContact CB-CG 3.91Å |
| 15 | S | 83.8 | Confident | 74 | Confident | 59 Ų | 59 | 119.2 Ų | 119.2 | 41% | 0.413 | 61% | 0.609 | S | S | . | * | | | trans | -59.3 | 140.4 | 175.4 | 178.4 | 0 | 0 | 0 | 0 | 108.8 | E17 E18 L19 | S15-E17 PolarHBondContact O-N 3.08Å; S15-E17 VanDerWaalsContact O-N 3.08Å; S15-E17 PolarHBondContact OG-N 3.19Å; S15-E18 PolarHBondContact O-N 3Å; S15-L19 PolarHBondContact O-N 3.42Å; S15-L19 VanDerWaalsContact O-N 3.14Å |
| 16 | Y | 84.5 | Confident | 75.6 | Confident | 174 Ų | 174 | 115.2 Ų | 115.2 | 68% | 0.682 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -55.1 | -27.6 | 171.9 | -75.6 | -75.2 | 0 | 0 | 0 | 112 | Q14 E18 F20 | Q14-Y16 PolarHBondContact O-N 2.76Å; Y16-E18 VanDerWaalsContact C-N 3.34Å; Y16-F20 HydrophobicContact CD1-CD2 4.36Å; Y16-F20 AromaticContact CD1-CE2 4Å; Y16-F20 HydrophobicContact CD1-CE2 4Å; Y16-F20 WeakPolarHBondContact O-CD2 3.36Å; Y16-F20 PolarHBondContact O-N 3Å |
| 17 | E | 86.1 | Confident | 77.7 | Confident | 149 Ų | 149 | 113.6 Ų | 113.6 | 70% | 0.696 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.4 | -34.6 | 173.7 | -62.2 | -60.4 | 160 | 0 | 0 | 112.8 | S15 S21 | S15-E17 PolarHBondContact O-N 3.08Å; S15-E17 VanDerWaalsContact O-N 3.08Å; S15-E17 PolarHBondContact OG-N 3.19Å; E17-S21 WeakPolarHBondContact O-CA 3.34Å; E17-S21 WeakPolarHBondContact O-CB 3.33Å; E17-S21 PolarHBondContact O-N 3.46Å |
| 18 | E | 87.9 | Confident | 80.1 | Confident | 128 Ų | 128 | 112 Ų | 112 | 60% | 0.598 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -77.5 | -46.7 | 179.1 | -68.9 | 175.9 | 170.6 | 0 | 0 | 111 | S15 Y16 F20 S21 | S15-E18 PolarHBondContact O-N 3Å; Y16-E18 VanDerWaalsContact C-N 3.34Å; E18-F20 PolarHBondContact O-N 2.92Å; E18-S21 WeakPolarHBondContact O-CB 3.35Å; E18-S21 PolarHBondContact O-N 3.25Å; E18-S21 PolarHBondContact O-OG 3.26Å |
| 19 | L | 88.7 | Confident | 82.1 | Confident | 79 Ų | 79 | 108 Ų | 108 | 41% | 0.414 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -58 | -34.2 | 179.3 | -75 | 172.4 | 0 | 0 | 0 | 112.9 | Q14 S15 | Q14-L19 HydrophobicContact CB-CD1 4.21Å; Q14-L19 HydrophobicContact CB-CD2 4.17Å; Q14-L19 HydrophobicContact CB-CG 3.91Å; S15-L19 PolarHBondContact O-N 3.42Å; S15-L19 VanDerWaalsContact O-N 3.14Å |
| 20 | F | 91.1 | Very high | 84.1 | Confident | 106 Ų | 106 | 111 Ų | 111 | 47% | 0.465 | 57% | 0.565 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -116.7 | 23.9 | -178.3 | -62 | -78.5 | 0 | 0 | 0 | 112.3 | Y16 E18 N22 R23 | Y16-F20 HydrophobicContact CD1-CD2 4.36Å; Y16-F20 AromaticContact CD1-CE2 4Å; Y16-F20 HydrophobicContact CD1-CE2 4Å; Y16-F20 WeakPolarHBondContact O-CD2 3.36Å; Y16-F20 PolarHBondContact O-N 3Å; E18-F20 PolarHBondContact O-N 2.92Å; F20-N22 PolarHBondContact O-N 3.44Å; F20-N22 VanDerWaalsContact O-N 3.13Å; F20-R23 HydrophobicContact CB-CB 4.33Å; F20-R23 VanDerWaalsContact CG-NH2 3.3Å; F20-R23 WeakPolarHBondContact O-CB 3.41Å; F20-R23 PolarHBondContact O-N 2.64Å |
| 21 | S | 92.4 | Very high | 86.1 | Confident | 85 Ų | 85 | 110.9 Ų | 110.9 | 59% | 0.594 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.6 | -34.3 | 179.2 | 48.3 | 0 | 0 | 0 | 0 | 112.8 | E17 E18 | E17-S21 WeakPolarHBondContact O-CA 3.34Å; E17-S21 WeakPolarHBondContact O-CB 3.33Å; E17-S21 PolarHBondContact O-N 3.46Å; E18-S21 WeakPolarHBondContact O-CB 3.35Å; E18-S21 PolarHBondContact O-N 3.25Å; E18-S21 PolarHBondContact O-OG 3.26Å |
| 22 | N | 92.6 | Very high | 88.1 | Confident | 71 Ų | 71 | 104.5 Ų | 104.5 | 38% | 0.38 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.6 | 5.1 | 179.6 | -72.4 | -14.3 | 0 | 0 | 0 | 114.3 | F20 F24 S25 E27 D28 | F20-N22 PolarHBondContact O-N 3.44Å; F20-N22 VanDerWaalsContact O-N 3.13Å; N22-F24 PolarHBondContact O-N 3.48Å; N22-S25 WeakPolarHBondContact O-CB 3.18Å; N22-S25 PolarHBondContact O-N 2.93Å; N22-S25 PolarHBondContact O-OG 2.8Å; N22-E27 HydrophobicContact CB-CB 4.31Å; N22-E27 PolarHBondContact ND2-OE2 3.23Å; N22-E27 PolarHBondContact OD1-OE2 3.03Å; N22-D28 WeakPolarHBondContact O-CB 3.16Å |
| 23 | R | 94.4 | Very high | 89.8 | Confident | 128 Ų | 128 | 106 Ų | 106 | 48% | 0.483 | 53% | 0.526 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | 132.6 | -176 | -168.5 | -170.8 | -62.1 | 160.8 | 3.4 | 111.2 | F20 S25 | F20-R23 HydrophobicContact CB-CB 4.33Å; F20-R23 VanDerWaalsContact CG-NH2 3.3Å; F20-R23 WeakPolarHBondContact O-CB 3.41Å; F20-R23 PolarHBondContact O-N 2.64Å; R23-S25 PolarHBondContact O-N 3.35Å |
| 24 | F | 93.9 | Very high | 91.5 | Very high | 138 Ų | 138 | 106.8 Ų | 106.8 | 61% | 0.605 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.6 | 14.9 | -178.7 | -44.6 | -58.5 | 0 | 0 | 0 | 115.1 | N22 D28 Y31 | N22-F24 PolarHBondContact O-N 3.48Å; F24-D28 PolarHBondContact N-OD2 3.14Å; F24-Y31 HydrophobicContact CB-CD1 4.41Å; F24-Y31 HydrophobicContact CB-CE1 4.37Å; F24-Y31 HydrophobicContact CB-CE2 4.49Å; F24-Y31 HydrophobicContact CB-CG 4.49Å; F24-Y31 AromaticContact CD1-CD2 3.71Å; F24-Y31 HydrophobicContact CD1-CD2 3.71Å; F24-Y31 AromaticContact CD1-CE2 3.93Å; F24-Y31 HydrophobicContact CD1-CE2 3.93Å; F24-Y31 HydrophobicContact CD1-CG 4.24Å; F24-Y31 WeakPolarHBondContact O-CE1 3.39Å |
| 25 | S | 93.6 | Very high | 92.6 | Very high | 38 Ų | 38 | 105.8 Ų | 105.8 | 27% | 0.266 | 52% | 0.515 | S | S | . | . | S | Bend | trans | -90.5 | -179.9 | 173.8 | 78.3 | 0 | 0 | 0 | 0 | 112 | N22 R23 E27 D28 Q32 | N22-S25 WeakPolarHBondContact O-CB 3.18Å; N22-S25 PolarHBondContact O-N 2.93Å; N22-S25 PolarHBondContact O-OG 2.8Å; R23-S25 PolarHBondContact O-N 3.35Å; S25-E27 PolarHBondContact O-N 3.21Å; S25-E27 PolarHBondContact OG-N 3.01Å; S25-E27 VanDerWaalsContact OG-N 3.12Å; S25-D28 PolarHBondContact O-N 3.13Å; S25-D28 PolarHBondContact OG-N 3.12Å; S25-Q32 PolarHBondContact O-NE2 2.88Å |
| 26 | L | 94.7 | Very high | 93.1 | Very high | 150 Ų | 150 | 111 Ų | 111 | 79% | 0.785 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -69.6 | -22.6 | 171 | -66.8 | 175.1 | 0 | 0 | 0 | 112.9 | D28 | L26-D28 VanDerWaalsContact C-N 3.33Š|
| 27 | E | 95.4 | Very high | 93.6 | Very high | 148 Ų | 148 | 109.6 Ų | 109.6 | 69% | 0.692 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -80.8 | -17.5 | 178.2 | -59.7 | -174.9 | -178.4 | 0 | 0 | 112.2 | N22 S25 S29 | N22-E27 HydrophobicContact CB-CB 4.31Å; N22-E27 PolarHBondContact ND2-OE2 3.23Å; N22-E27 PolarHBondContact OD1-OE2 3.03Å; S25-E27 PolarHBondContact O-N 3.21Å; S25-E27 PolarHBondContact OG-N 3.01Å; S25-E27 VanDerWaalsContact OG-N 3.12Å; E27-S29 PolarHBondContact O-N 2.88Å; E27-S29 VanDerWaalsContact O-N 3.08Å |
| 28 | D | 96.7 | Very high | 94.1 | Very high | 34 Ų | 34 | 107.6 Ų | 107.6 | 18% | 0.182 | 52% | 0.524 | C | S | . | . | | | trans | -76.6 | 94.3 | 175.4 | -176.3 | -16 | 0 | 0 | 0 | 110.7 | N22 F24 S25 L26 E30 Y31 Q32 | N22-D28 WeakPolarHBondContact O-CB 3.16Å; F24-D28 PolarHBondContact N-OD2 3.14Å; S25-D28 PolarHBondContact O-N 3.13Å; S25-D28 PolarHBondContact OG-N 3.12Å; L26-D28 VanDerWaalsContact C-N 3.33Å; D28-E30 PolarHBondContact O-N 2.96Å; D28-E30 PolarHBondContact OD1-N 3.08Å; D28-E30 VanDerWaalsContact OD1-N 3.12Å; D28-Y31 VanDerWaalsContact CG-CB 3.4Å; D28-Y31 PolarHBondContact O-N 3.18Å; D28-Y31 PolarHBondContact OD1-N 3.23Å; D28-Y31 WeakPolarHBondContact OD2-CB 3.32Å; D28-Q32 WeakPolarHBondContact O-CG 3.45Å; D28-Q32 PolarHBondContact O-N 3.02Å |
| 29 | S | 94.6 | Very high | 94.3 | Very high | 87 Ų | 87 | 106.2 Ų | 106.2 | 61% | 0.608 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.8 | -31.6 | -178.4 | 69.4 | 0 | 0 | 0 | 0 | 113.7 | E27 Q33 | E27-S29 PolarHBondContact O-N 2.88Å; E27-S29 VanDerWaalsContact O-N 3.08Å; S29-Q33 VanDerWaalsContact O-CG 3.32Å; S29-Q33 WeakPolarHBondContact O-CG 3.39Å; S29-Q33 PolarHBondContact O-N 3.07Å |
| 30 | E | 95.4 | Very high | 94.5 | Very high | 151 Ų | 151 | 108.2 Ų | 108.2 | 71% | 0.706 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -72.2 | -45.2 | 179.2 | -175.5 | 179.1 | 172.6 | 0 | 0 | 109.9 | D28 Q32 Q33 Y34 | D28-E30 PolarHBondContact O-N 2.96Å; D28-E30 PolarHBondContact OD1-N 3.08Å; D28-E30 VanDerWaalsContact OD1-N 3.12Å; E30-Q32 VanDerWaalsContact C-N 3.35Å; E30-Q32 PolarHBondContact O-N 3.23Å; E30-Q33 WeakPolarHBondContact O-CB 3.39Å; E30-Q33 PolarHBondContact O-N 2.93Å; E30-Y34 PolarHBondContact O-N 3.37Å |
| 31 | Y | 95.8 | Very high | 94.6 | Very high | 80 Ų | 80 | 108.3 Ų | 108.3 | 31% | 0.314 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61.3 | -42.9 | 173.8 | -179.9 | -114.7 | 0 | 0 | 0 | 112 | F24 D28 Q33 Y34 V35 | F24-Y31 HydrophobicContact CB-CD1 4.41Å; F24-Y31 HydrophobicContact CB-CE1 4.37Å; F24-Y31 HydrophobicContact CB-CE2 4.49Å; F24-Y31 HydrophobicContact CB-CG 4.49Å; F24-Y31 AromaticContact CD1-CD2 3.71Å; F24-Y31 HydrophobicContact CD1-CD2 3.71Å; F24-Y31 AromaticContact CD1-CE2 3.93Å; F24-Y31 HydrophobicContact CD1-CE2 3.93Å; F24-Y31 HydrophobicContact CD1-CG 4.24Å; F24-Y31 WeakPolarHBondContact O-CE1 3.39Å; D28-Y31 VanDerWaalsContact CG-CB 3.4Å; D28-Y31 PolarHBondContact O-N 3.18Å; D28-Y31 PolarHBondContact OD1-N 3.23Å; D28-Y31 WeakPolarHBondContact OD2-CB 3.32Å; Y31-Q33 VanDerWaalsContact C-N 3.3Å; Y31-Q33 PolarHBondContact O-N 3.39Å; Y31-Y34 WeakPolarHBondContact O-CA 3.48Å; Y31-Y34 WeakPolarHBondContact O-CB 3.45Å; Y31-Y34 PolarHBondContact O-N 3.03Å; Y31-V35 HydrophobicContact CD1-CG2 4.19Å; Y31-V35 HydrophobicContact CD2-CG2 4.28Å; Y31-V35 HydrophobicContact CE1-CG2 3.77Å; Y31-V35 HydrophobicContact CE2-CG2 3.88Å; Y31-V35 HydrophobicContact CG-CG2 4.43Å; Y31-V35 WeakPolarHBondContact O-CG2 3.48Å; Y31-V35 PolarHBondContact O-N 3.08Å |
| 32 | Q | 97.1 | Very high | 94.6 | Very high | 46 Ų | 46 | 109.4 Ų | 109.4 | 22% | 0.215 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -63.7 | -34.8 | 176.9 | -67.4 | -49.7 | -50.5 | 0 | 0 | 112.8 | S25 D28 E30 K36 | S25-Q32 PolarHBondContact O-NE2 2.88Å; D28-Q32 WeakPolarHBondContact O-CG 3.45Å; D28-Q32 PolarHBondContact O-N 3.02Å; E30-Q32 VanDerWaalsContact C-N 3.35Å; E30-Q32 PolarHBondContact O-N 3.23Å; Q32-K36 WeakPolarHBondContact O-CG 3.34Å; Q32-K36 PolarHBondContact O-N 3.23Å |
| 33 | Q | 95.8 | Very high | 94.7 | Very high | 133 Ų | 133 | 111.8 Ų | 111.8 | 62% | 0.621 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.3 | -43.8 | 170.7 | -74.3 | 177.7 | 9.8 | 0 | 0 | 110.9 | S29 E30 Y31 K36 R37 | S29-Q33 VanDerWaalsContact O-CG 3.32Å; S29-Q33 WeakPolarHBondContact O-CG 3.39Å; S29-Q33 PolarHBondContact O-N 3.07Å; E30-Q33 WeakPolarHBondContact O-CB 3.39Å; E30-Q33 PolarHBondContact O-N 2.93Å; Y31-Q33 VanDerWaalsContact C-N 3.3Å; Y31-Q33 PolarHBondContact O-N 3.39Å; Q33-K36 PolarHBondContact O-N 3.29Å; Q33-R37 WeakPolarHBondContact O-CG 3.35Å; Q33-R37 PolarHBondContact O-N 3.36Å |
| 34 | Y | 95.1 | Very high | 94.4 | Very high | 155 Ų | 155 | 112.8 Ų | 112.8 | 61% | 0.608 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -59.7 | -45.7 | 177.8 | -177.6 | -96.5 | 0 | 0 | 0 | 112.6 | E30 Y31 K36 R37 | E30-Y34 PolarHBondContact O-N 3.37Å; Y31-Y34 WeakPolarHBondContact O-CA 3.48Å; Y31-Y34 WeakPolarHBondContact O-CB 3.45Å; Y31-Y34 PolarHBondContact O-N 3.03Å; Y34-K36 PolarHBondContact O-N 3.46Å; Y34-R37 WeakPolarHBondContact O-CB 3.46Å; Y34-R37 PolarHBondContact O-N 3.42Å |
| 35 | V | 94.8 | Very high | 94.3 | Very high | 82 Ų | 82 | 110.3 Ų | 110.3 | 50% | 0.497 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -60 | -31.5 | 178.3 | 174.1 | 0 | 0 | 0 | 0 | 112.4 | Y31 R37 | Y31-V35 HydrophobicContact CD1-CG2 4.19Å; Y31-V35 HydrophobicContact CD2-CG2 4.28Å; Y31-V35 HydrophobicContact CE1-CG2 3.77Å; Y31-V35 HydrophobicContact CE2-CG2 3.88Å; Y31-V35 HydrophobicContact CG-CG2 4.43Å; Y31-V35 WeakPolarHBondContact O-CG2 3.48Å; Y31-V35 PolarHBondContact O-N 3.08Å; V35-R37 VanDerWaalsContact C-N 3.32Å |
| 36 | K | 95.3 | Very high | 94 | Very high | 170 Ų | 170 | 114.9 Ų | 114.9 | 74% | 0.739 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -78.4 | -14.6 | 177.9 | -68.8 | 172.3 | -173.7 | 175.7 | 0 | 113.5 | Q32 Q33 Y34 | Q32-K36 WeakPolarHBondContact O-CG 3.34Å; Q32-K36 PolarHBondContact O-N 3.23Å; Q33-K36 PolarHBondContact O-N 3.29Å; Y34-K36 PolarHBondContact O-N 3.46Å |
| 37 | R | 95.3 | Very high | 93.4 | Very high | 143 Ų | 143 | 115.2 Ų | 115.2 | 54% | 0.54 | 62% | 0.615 | S | S | . | * | S | Bend | trans | -68.8 | 132.9 | -178.8 | -67.5 | 173.4 | 72.9 | 176.5 | -3.2 | 109.1 | Q33 Y34 V35 D40 | Q33-R37 WeakPolarHBondContact O-CG 3.35Å; Q33-R37 PolarHBondContact O-N 3.36Å; Y34-R37 WeakPolarHBondContact O-CB 3.46Å; Y34-R37 PolarHBondContact O-N 3.42Å; V35-R37 VanDerWaalsContact C-N 3.32Å; R37-D40 IonicContact NH2-OD2 3.84Å |
| 38 | P | 94.7 | Very high | 92.8 | Very high | 108 Ų | 108 | 118.1 Ų | 118.1 | 70% | 0.701 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 155.7 | 168.3 | 29.5 | -34.3 | 0 | 0 | 0 | 109.1 | D40 | P38-D40 PolarHBondContact O-N 3.2Š|
| 39 | A | 93.1 | Very high | 91.9 | Very high | 98 Ų | 98 | 127.5 Ų | 127.5 | 81% | 0.81 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 124.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 40 | D | 92.2 | Very high | 90.4 | Very high | 121 Ų | 121 | 126.4 Ų | 126.4 | 65% | 0.647 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 127.7 | 177 | -70.3 | -36.6 | 0 | 0 | 0 | 108.6 | R37 P38 | R37-D40 IonicContact NH2-OD2 3.84Å; P38-D40 PolarHBondContact O-N 3.2Å |
| 41 | P | 93.4 | Very high | 88.7 | Confident | 109 Ų | 109 | 131.7 Ų | 131.7 | 71% | 0.708 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 148.5 | 178.4 | 27.5 | -33.9 | 0 | 0 | 0 | 109.8 | | |
| 42 | P | 93.5 | Very high | 87 | Confident | 107 Ų | 107 | 131.5 Ų | 131.5 | 70% | 0.695 | 69% | 0.691 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 143.2 | 174.9 | 26.3 | -33.9 | 0 | 0 | 0 | 110 | I44 | P42-I44 PolarHBondContact O-N 3.39Š|
| 43 | P | 92.9 | Very high | 85.1 | Confident | 121 Ų | 121 | 133.3 Ų | 133.3 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -63 | 129.7 | -179.3 | 26.2 | -33.8 | 0 | 0 | 0 | 110.2 | | |
| 44 | I | 89.4 | Confident | 83.4 | Confident | 150 Ų | 150 | 130.1 Ų | 130.1 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 128.1 | 173.3 | -57.9 | 172.6 | 0 | 0 | 0 | 107.5 | P42 | P42-I44 PolarHBondContact O-N 3.39Š|
| 45 | V | 91.6 | Very high | 81.4 | Confident | 85 Ų | 85 | 130.2 Ų | 130.2 | 52% | 0.515 | 74% | 0.736 | S | S | . | * | | | trans | -109.7 | 106.5 | 175 | -167.6 | 0 | 0 | 0 | 0 | 109.2 | W48 | V45-W48 HydrophobicContact CB-CE3 3.87Å; V45-W48 HydrophobicContact CB-CZ3 4.45Å; V45-W48 HydrophobicContact CG1-CE3 3.52Å; V45-W48 HydrophobicContact CG1-CZ3 4.06Å; V45-W48 HydrophobicContact CG2-CE3 4.31Å; V45-W48 HydrophobicContact CG2-CZ3 4.44Å |
| 46 | D | 86.6 | Confident | 79.7 | Confident | 135 Ų | 135 | 135.5 Ų | 135.5 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 149.1 | 175.3 | -66.5 | -36.9 | 0 | 0 | 0 | 111.1 | W48 | D46-W48 PolarHBondContact O-N 3.19Š|
| 47 | D | 83.4 | Confident | 77.9 | Confident | 156 Ų | 156 | 139.9 Ų | 139.9 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 53 | 30.2 | 178.7 | -64.5 | -34.2 | 0 | 0 | 0 | 114.7 | R49 | D47-R49 CarbonylContact O-C 3.6Å; D47-R49 PolarHBondContact O-N 3.33Å |
| 48 | W | 82.8 | Confident | 75.9 | Confident | 209 Ų | 209 | 136 Ų | 136 | 79% | 0.792 | 77% | 0.772 | S | S | * | * | | | trans | -56.4 | -21 | 176 | -173.4 | -101.7 | 0 | 0 | 0 | 113.6 | V45 D46 G50 | V45-W48 HydrophobicContact CB-CE3 3.87Å; V45-W48 HydrophobicContact CB-CZ3 4.45Å; V45-W48 HydrophobicContact CG1-CE3 3.52Å; V45-W48 HydrophobicContact CG1-CZ3 4.06Å; V45-W48 HydrophobicContact CG2-CE3 4.31Å; V45-W48 HydrophobicContact CG2-CZ3 4.44Å; D46-W48 PolarHBondContact O-N 3.19Å; W48-G50 PolarHBondContact O-N 3.42Å |
| 49 | R | 76.8 | Confident | 73.9 | Confident | 231 Ų | 231 | 141 Ų | 141 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -64.3 | 106.3 | 170.3 | -73.6 | -168.9 | 167.2 | -136.6 | -2.9 | 108.7 | D47 R51 | D47-R49 CarbonylContact O-C 3.6Å; D47-R49 PolarHBondContact O-N 3.33Å; R49-R51 PolarHBondContact O-N 3Å |
| 50 | G | 62.6 | Low | 72.1 | Confident | 65 Ų | 65 | 142 Ų | 142 | 67% | 0.67 | 77% | 0.768 | S | S | * | * | | | trans | -45.3 | 130.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | W48 G52 | W48-G50 PolarHBondContact O-N 3.42Å; G50-G52 WeakPolarHBondContact O-CA 3.45Å; G50-G52 PolarHBondContact O-N 3.13Å |
| 51 | R | 60.9 | Low | 70.4 | Confident | 261 Ų | 261 | 141.8 Ų | 141.8 | 99% | 0.985 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -57.1 | 76.4 | 177.3 | -64.7 | -172 | -172 | -92.1 | 0.9 | 110.6 | R49 | R49-R51 PolarHBondContact O-N 3Š|
| 52 | G | 60.6 | Low | 68.7 | Low | 76 Ų | 76 | 146 Ų | 146 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | | | trans | -171.3 | 61.2 | -160.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | G50 | G50-G52 WeakPolarHBondContact O-CA 3.45Å; G50-G52 PolarHBondContact O-N 3.13Å |
| 53 | G | 56.4 | Low | 66.5 | Low | 84 Ų | 84 | 151.5 Ų | 151.5 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | | | trans | -178.4 | 123 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 54 | G | 60.7 | Low | 64.6 | Low | 67 Ų | 67 | 154 Ų | 154 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | | | cis | -179.6 | 128.6 | -0.6 | 0 | 0 | 0 | 0 | 0 | 106.4 | | |
| 55 | N | 52.5 | Low | 62.7 | Low | 156 Ų | 156 | 154.1 Ų | 154.1 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -172.1 | 86.3 | 164.9 | -97.2 | -15.6 | 0 | 0 | 0 | 105.9 | | |
| 56 | Q | 58.9 | Low | 60.7 | Low | 194 Ų | 194 | 161.2 Ų | 161.2 | 91% | 0.907 | 80% | 0.798 | S | S | * | * | | | trans | 171.4 | 10.8 | 159.6 | -97.2 | 161.8 | 83.9 | 0 | 0 | 116.2 | | |
| 57 | R | 57.8 | Low | 58.8 | Low | 262 Ų | 262 | 166.4 Ų | 166.4 | 99% | 0.989 | 81% | 0.808 | S | S | * | * | S | Bend | trans | -108.8 | 81.9 | 172.4 | -66.7 | -171.7 | -174.9 | -177.5 | 2.5 | 110.1 | | |
| 58 | G | 53.1 | Low | 57.1 | Low | 62 Ų | 62 | 162.7 Ų | 162.7 | 64% | 0.639 | 81% | 0.806 | S | S | * | * | | | trans | 168.8 | 23 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | D60 | G58-D60 PolarHBondContact O-N 3.25Š|
| 59 | R | 52.4 | Low | 55.1 | Low | 213 Ų | 213 | 163.4 Ų | 163.4 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | | | trans | -90.4 | 57.4 | 172.2 | -147.9 | -175.8 | -161.7 | -159.7 | 5.8 | 109 | N61 | R59-N61 PolarHBondContact O-N 3.26Š|
| 60 | D | 55.7 | Low | 53.5 | Low | 117 Ų | 117 | 162.8 Ų | 162.8 | 63% | 0.626 | 81% | 0.808 | S | S | * | * | | | trans | -78 | 71.4 | 172.2 | -58.4 | -22.2 | 0 | 0 | 0 | 107.7 | G58 R62 | G58-D60 PolarHBondContact O-N 3.25Å; D60-R62 PolarHBondContact O-N 3.42Å |
| 61 | N | 56.6 | Low | 52.5 | Low | 118 Ų | 118 | 164.9 Ų | 164.9 | 63% | 0.631 | 80% | 0.804 | S | S | * | * | | | trans | -69.3 | 65.9 | 167.7 | -82.4 | -14.5 | 0 | 0 | 0 | 109.4 | R59 | R59-N61 PolarHBondContact O-N 3.26Š|
| 62 | R | 56.4 | Low | 51.6 | Low | 197 Ų | 197 | 162.9 Ų | 162.9 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | | | trans | -118.2 | 15.3 | 178.3 | -78.8 | -164.8 | -99.7 | -176.5 | -5.4 | 114 | D60 | D60-R62 PolarHBondContact O-N 3.42Š|
| 63 | Y | 49.3 | Very low | 50.4 | Low | 223 Ų | 223 | 164 Ų | 164 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | | | trans | -137.6 | 30.9 | -178.7 | -71 | -75.2 | 0 | 0 | 0 | 115.1 | | |
| 64 | Q | 51.3 | Low | 49.4 | Very low | 173 Ų | 173 | 171.9 Ų | 171.9 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -96.4 | 1.2 | 170.4 | -71.4 | -106 | -10.7 | 0 | 0 | 113.5 | | |
| 65 | D | 49.9 | Very low | 48.3 | Very low | 152 Ų | 152 | 172 Ų | 172 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -99.4 | 23.3 | -172.6 | -60.9 | -26.3 | 0 | 0 | 0 | 115.4 | | |
| 66 | R | 49.4 | Very low | 47.3 | Very low | 234 Ų | 234 | 172.8 Ų | 172.8 | 88% | 0.883 | 80% | 0.796 | S | S | * | * | | | trans | -144.8 | 56.3 | 178.4 | -68 | -164.2 | -166.7 | -152 | 5 | 115.9 | | |
| 67 | R | 48.1 | Very low | 46.3 | Very low | 245 Ų | 245 | 168.5 Ų | 168.5 | 93% | 0.925 | 78% | 0.779 | S | S | * | * | | | trans | -140.1 | 67.5 | 150.3 | -67.5 | -165.5 | -175.2 | -146 | 0.8 | 111 | Y69 | R67-Y69 PolarHBondContact O-N 3.32Š|
| 68 | G | 47 | Very low | 45.6 | Very low | 77 Ų | 77 | 166.2 Ų | 166.2 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | | | trans | -61.9 | 109.1 | 146.3 | 0 | 0 | 0 | 0 | 0 | 108 | | |
| 69 | Y | 40.9 | Very low | 44.8 | Very low | 224 Ų | 224 | 173.2 Ų | 173.2 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | | | trans | -126.8 | 89.7 | 151.9 | -123.5 | -91.2 | 0 | 0 | 0 | 107 | R67 D71 | R67-Y69 PolarHBondContact O-N 3.32Å; Y69-D71 PolarHBondContact O-N 3.38Å |
| 70 | R | 42.8 | Very low | 44 | Very low | 219 Ų | 219 | 171.6 Ų | 171.6 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | | | trans | -45 | 126.1 | 149.5 | -128.8 | 172.4 | -162.2 | -168.2 | 2.9 | 106.5 | | |
| 71 | D | 40.9 | Very low | 43.1 | Very low | 108 Ų | 108 | 176.1 Ų | 176.1 | 58% | 0.578 | 78% | 0.78 | S | S | * | * | | | | 172.9 | 103.3 | 116.9 | -83.5 | -48.7 | 0 | 0 | 0 | 111.8 | Y69 | Y69-D71 PolarHBondContact O-N 3.38Š|
| 72 | R | 43.2 | Very low | 42.1 | Very low | 220 Ų | 220 | 173.6 Ų | 173.6 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | | | trans | 56.9 | 112.7 | 131.4 | -54.2 | 176.4 | -160 | -149.9 | 0.3 | 119 | | |
| 73 | S | 34.3 | Very low | 41.3 | Very low | 100 Ų | 100 | 171.8 Ų | 171.8 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | | | | -178.3 | 109.3 | 115.8 | -91.6 | 0 | 0 | 0 | 0 | 115.1 | | |
| 74 | W | 35.8 | Very low | 40.8 | Very low | 248 Ų | 248 | 172.9 Ų | 172.9 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | | | trans | 60.5 | 127.9 | 136.1 | -48.8 | 101.6 | 0 | 0 | 0 | 122.6 | | |
| 75 | G | 37.6 | Very low | 40.3 | Very low | 69 Ų | 69 | 176.6 Ų | 176.6 | 71% | 0.711 | 80% | 0.796 | S | S | * | * | | | trans | 117.7 | 77.3 | 160.6 | 0 | 0 | 0 | 0 | 0 | 112 | | |
| 76 | E | 32 | Very low | 39.6 | Very low | 174 Ų | 174 | 172.1 Ų | 172.1 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | | | | 56.7 | 117.8 | 87 | -140.2 | -173.6 | -176.3 | 0 | 0 | 112.1 | | |
| 77 | D | 36.8 | Very low | 39.2 | Very low | 104 Ų | 104 | 169.8 Ų | 169.8 | 56% | 0.556 | 79% | 0.785 | S | S | * | * | | | trans | 106.4 | 127.9 | 147.9 | -63.7 | -43.5 | 0 | 0 | 0 | 122.3 | | |
| 78 | R | 43.4 | Very low | 38.9 | Very low | 213 Ų | 213 | 165.3 Ų | 165.3 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | | | trans | 86.4 | 84.4 | 149.6 | -68.9 | 167.1 | -104.7 | -177 | -5 | 115.9 | | |
| 79 | R | 37.2 | Very low | 38.8 | Very low | 210 Ų | 210 | 172.3 Ų | 172.3 | 79% | 0.792 | 78% | 0.776 | S | S | * | * | | | | 58.8 | 126.2 | 81.3 | -58.2 | -178.1 | -174.6 | -143 | 1.8 | 113.6 | | |
| 80 | W | 35 | Very low | 39 | Very low | 179 Ų | 179 | 168 Ų | 168 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | | | trans | 110.8 | 111.5 | 148 | -61.9 | 111.5 | 0 | 0 | 0 | 119.2 | | |
| 81 | R | 36.6 | Very low | 39.2 | Very low | 212 Ų | 212 | 164.7 Ų | 164.7 | 80% | 0.8 | 76% | 0.763 | S | S | * | * | | | trans | 79.1 | 133.9 | 137.3 | -49.1 | -94.3 | -175.6 | -128 | 6.5 | 116.3 | | |
| 82 | G | 37.1 | Very low | 39.3 | Very low | 65 Ų | 65 | 169.4 Ų | 169.4 | 67% | 0.67 | 77% | 0.772 | S | S | * | * | | | cis | -171.8 | 159.3 | 8.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | | |
| 83 | D | 39.2 | Very low | 39.6 | Very low | 158 Ų | 158 | 165.6 Ų | 165.6 | 85% | 0.845 | 77% | 0.769 | S | S | * | * | | | trans | -48.9 | 138.5 | 170.2 | -52.3 | -86.6 | 0 | 0 | 0 | 112.5 | | |
| 84 | R | 39.3 | Very low | 40.1 | Very low | 246 Ų | 246 | 172.9 Ų | 172.9 | 93% | 0.928 | 78% | 0.781 | S | S | * | * | | | | -169.2 | 113.2 | 122.4 | -101.7 | 170 | -137.3 | -139.8 | 6.5 | 111.2 | | |
| 85 | R | 39.7 | Very low | 40.4 | Very low | 252 Ų | 252 | 168.1 Ų | 168.1 | 95% | 0.951 | 77% | 0.774 | S | S | * | * | | | trans | -62.8 | 144.3 | 159.1 | -62.8 | 174 | 178.1 | -158.5 | -2.3 | 109.4 | | |
| 86 | G | 36.2 | Very low | 40.5 | Very low | 57 Ų | 57 | 177.3 Ų | 177.3 | 59% | 0.588 | 79% | 0.787 | S | S | * | * | | | trans | 108.6 | 130.1 | 134.2 | 0 | 0 | 0 | 0 | 0 | 118 | | |
| 87 | Q | 40.4 | Very low | 40.7 | Very low | 186 Ų | 186 | 172 Ų | 172 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | | | trans | 73.3 | 132.1 | 152 | -29.3 | -55.1 | 64.7 | 0 | 0 | 114.5 | | |
| 88 | H | 42.1 | Very low | 40.7 | Very low | 150 Ų | 150 | 177.1 Ų | 177.1 | 69% | 0.694 | 80% | 0.799 | S | S | * | * | | | | -179.8 | 137 | 64.6 | -168.6 | 179.3 | 0 | 0 | 0 | 109.3 | H90 | H88-H90 AromaticContact CD2-CD2 3.6Å; H88-H90 AromaticContact CD2-NE2 3.58Å; H88-H90 AromaticContact CE1-CD2 3.43Å; H88-H90 PolarHBondContact CE1-CD2 3.07Å; H88-H90 VanDerWaalsContact CE1-CD2 3.43Å; H88-H90 AromaticContact CE1-NE2 3.17Å; H88-H90 PolarHBondContact CE1-NE2 2.97Å; H88-H90 AromaticContact CG-CD2 3.73Å; H88-H90 AromaticContact ND1-CD2 3.63Å; H88-H90 AromaticContact ND1-NE2 3.87Å; H88-H90 AromaticContact NE2-CD2 3.46Å; H88-H90 PolarHBondContact NE2-CD2 2.99Å; H88-H90 AromaticContact NE2-NE2 3Å; H88-H90 PolarHBondContact NE2-NE2 3.39Å; H88-H90 PolarHBondContact O-N 3.49Å |
| 89 | W | 44.9 | Very low | 40.3 | Very low | 225 Ų | 225 | 170.6 Ų | 170.6 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | | | trans | -70.5 | 94.7 | 175.3 | -73.1 | 87.3 | 0 | 0 | 0 | 113.5 | | |
| 90 | H | 45.2 | Very low | 40.4 | Very low | 132 Ų | 132 | 165.4 Ų | 165.4 | 61% | 0.611 | 80% | 0.795 | S | S | * | * | | | trans | -159.7 | 122.1 | 162.5 | -64 | -68.5 | 0 | 0 | 0 | 104.9 | H88 | H88-H90 AromaticContact CD2-CD2 3.6Å; H88-H90 AromaticContact CD2-NE2 3.58Å; H88-H90 AromaticContact CE1-CD2 3.43Å; H88-H90 PolarHBondContact CE1-CD2 3.07Å; H88-H90 VanDerWaalsContact CE1-CD2 3.43Å; H88-H90 AromaticContact CE1-NE2 3.17Å; H88-H90 PolarHBondContact CE1-NE2 2.97Å; H88-H90 AromaticContact CG-CD2 3.73Å; H88-H90 AromaticContact ND1-CD2 3.63Å; H88-H90 AromaticContact ND1-NE2 3.87Å; H88-H90 AromaticContact NE2-CD2 3.46Å; H88-H90 PolarHBondContact NE2-CD2 2.99Å; H88-H90 AromaticContact NE2-NE2 3Å; H88-H90 PolarHBondContact NE2-NE2 3.39Å; H88-H90 PolarHBondContact O-N 3.49Å |
| 91 | D | 46.4 | Very low | 40.4 | Very low | 151 Ų | 151 | 160.5 Ų | 160.5 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | | | cis | -151.1 | 106.8 | 41.9 | -67.4 | -64 | 0 | 0 | 0 | 109.8 | | |
| 92 | R | 42.7 | Very low | 40.4 | Very low | 207 Ų | 207 | 160.8 Ų | 160.8 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | | | trans | -70.3 | 143 | 148.6 | -86.4 | -175.6 | -171.3 | 170.2 | 3.5 | 107.1 | | |
| 93 | D | 49.9 | Very low | 40.4 | Very low | 140 Ų | 140 | 167 Ų | 167 | 75% | 0.749 | 81% | 0.813 | S | S | * | * | | | trans | 82.5 | 90.7 | 158.5 | -43 | -38.8 | 0 | 0 | 0 | 116.8 | | |
| 94 | R | 44.3 | Very low | 40.5 | Very low | 253 Ų | 253 | 165.3 Ų | 165.3 | 96% | 0.955 | 81% | 0.814 | S | S | * | * | | | trans | 174.4 | 105.4 | 132.6 | -92.1 | 155.5 | -162.6 | -164.5 | 7.1 | 109.7 | | |
| 95 | N | 41.4 | Very low | 40.1 | Very low | 148 Ų | 148 | 157.4 Ų | 157.4 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | | | | 169.5 | 88.9 | 119.7 | -161.2 | 48.8 | 0 | 0 | 0 | 110.5 | | |
| 96 | W | 39.8 | Very low | 40 | Very low | 262 Ų | 262 | 151.1 Ų | 151.1 | 99% | 0.992 | 80% | 0.803 | S | S | * | * | | | trans | -73.1 | 119.7 | 159.4 | -77.5 | 59.5 | 0 | 0 | 0 | 107.8 | | |
| 97 | G | 37.7 | Very low | 40.3 | Very low | 63 Ų | 63 | 160.2 Ų | 160.2 | 65% | 0.649 | 82% | 0.82 | S | S | * | * | | | trans | 170.7 | 96.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | | |
| 98 | H | 36.5 | Very low | 40.1 | Very low | 210 Ų | 210 | 154.9 Ų | 154.9 | 97% | 0.972 | 82% | 0.815 | S | S | * | * | | | trans | -59 | 133.5 | 163.8 | -89.7 | -102.3 | 0 | 0 | 0 | 110.7 | | |
| 99 | G | 34.2 | Very low | 40.2 | Very low | 77 Ų | 77 | 152.8 Ų | 152.8 | 79% | 0.794 | 82% | 0.817 | S | S | * | * | | | trans | -133.2 | 108.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 100 | S | 40.3 | Very low | 40.1 | Very low | 101 Ų | 101 | 149.6 Ų | 149.6 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | | | trans | -42.7 | 128.1 | 177 | 173.3 | 0 | 0 | 0 | 0 | 115.1 | Y102 | S100-Y102 WeakPolarHBondContact OG-CD2 3.23Å; S100-Y102 VanDerWaalsContact OG-CE2 3.23Å; S100-Y102 WeakPolarHBondContact OG-CE2 3.49Å |
| 101 | G | 35.6 | Very low | 40.2 | Very low | 75 Ų | 75 | 152.1 Ų | 152.1 | 77% | 0.773 | 83% | 0.829 | S | S | * | * | | | trans | -139.1 | 91.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | Q103 | G101-Q103 PolarHBondContact O-N 3.24Š|
| 102 | Y | 35 | Very low | 39.7 | Very low | 219 Ų | 219 | 148.6 Ų | 148.6 | 86% | 0.859 | 83% | 0.828 | S | S | * | * | | | trans | -70.6 | 116.2 | 170 | -67.7 | -89.4 | 0 | 0 | 0 | 109.1 | S100 | S100-Y102 WeakPolarHBondContact OG-CD2 3.23Å; S100-Y102 VanDerWaalsContact OG-CE2 3.23Å; S100-Y102 WeakPolarHBondContact OG-CE2 3.49Å |
| 103 | Q | 37.3 | Very low | 39.6 | Very low | 195 Ų | 195 | 149.6 Ų | 149.6 | 91% | 0.911 | 83% | 0.834 | S | S | * | * | | | trans | -127.3 | 128.5 | 162.6 | -79.5 | 179.5 | -28.8 | 0 | 0 | 109.6 | G101 | G101-Q103 PolarHBondContact O-N 3.24Š|
| 104 | S | 40.8 | Very low | 39 | Very low | 123 Ų | 123 | 149 Ų | 149 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | | | trans | -76.5 | 148.2 | -168.5 | 51.7 | 0 | 0 | 0 | 0 | 114.9 | | |
| 105 | G | 32.5 | Very low | 39.1 | Very low | 79 Ų | 79 | 142 Ų | 142 | 81% | 0.814 | 82% | 0.821 | S | S | * | * | | | trans | 110.9 | 133.4 | 160.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | | |
| 106 | S | 36.4 | Very low | 39.3 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | | | cis | -153.8 | 165.6 | 23.8 | -158 | 0 | 0 | 0 | 0 | 110.9 | | |
| 107 | R | 42.6 | Very low | 39.7 | Very low | 248 Ų | 248 | 137.6 Ų | 137.6 | 94% | 0.936 | 81% | 0.811 | S | S | * | * | | | trans | -63.4 | 127.6 | -165.8 | -59.9 | 161.5 | -177.1 | -151.4 | -0.9 | 113.2 | | |
| 108 | G | 37.2 | Very low | 40.2 | Very low | 74 Ų | 74 | 145.7 Ų | 145.7 | 76% | 0.763 | 82% | 0.822 | S | S | * | * | | | trans | -137.5 | 106.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | N110 | G108-N110 PolarHBondContact O-N 2.63Š|
| 109 | S | 43.4 | Very low | 41 | Very low | 107 Ų | 107 | 140.7 Ų | 140.7 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | | | trans | -57.3 | 124.2 | -173.8 | 28.9 | 0 | 0 | 0 | 0 | 113.8 | Q111 | S109-Q111 PolarHBondContact O-N 3.18Š|
| 110 | N | 42 | Very low | 41.6 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | | | trans | -61.7 | 115.8 | 156.8 | -85.2 | -45.3 | 0 | 0 | 0 | 109.6 | G108 | G108-N110 PolarHBondContact O-N 2.63Š|
| 111 | Q | 47.3 | Very low | 42.1 | Very low | 185 Ų | 185 | 150.2 Ų | 150.2 | 86% | 0.864 | 81% | 0.813 | S | S | * | * | | | trans | -169.1 | 109.5 | 156.3 | -92.6 | 131.1 | 25.3 | 0 | 0 | 108.5 | S109 | S109-Q111 PolarHBondContact O-N 3.18Š|
| 112 | G | 36.5 | Very low | 42.9 | Very low | 77 Ų | 77 | 153.2 Ų | 153.2 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | | | trans | 178.9 | 50.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | N114 | G112-N114 PolarHBondContact O-N 2.9Š|
| 113 | Y | 40.4 | Very low | 43.2 | Very low | 227 Ų | 227 | 153.2 Ų | 153.2 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | | | trans | -60.4 | 127.1 | 171.8 | -92.7 | -93.5 | 0 | 0 | 0 | 110.9 | S115 | Y113-S115 PolarHBondContact O-N 3.46Š|
| 114 | N | 38.3 | Very low | 43.6 | Very low | 127 Ų | 127 | 158.3 Ų | 158.3 | 68% | 0.679 | 82% | 0.823 | S | S | * | * | | | trans | -0.8 | 95.8 | 154 | -65 | -26 | 0 | 0 | 0 | 117.5 | G112 H116 | G112-N114 PolarHBondContact O-N 2.9Å; N114-H116 PolarHBondContact O-N 3.43Å |
| 115 | S | 45.2 | Very low | 43.7 | Very low | 108 Ų | 108 | 160.1 Ų | 160.1 | 76% | 0.755 | 82% | 0.821 | S | S | * | * | | | trans | -84.9 | 87.1 | 161.4 | 59.3 | 0 | 0 | 0 | 0 | 109.8 | Y113 N117 | Y113-S115 PolarHBondContact O-N 3.46Å; S115-N117 PolarHBondContact O-N 3.17Å; S115-N117 VanDerWaalsContact O-N 3.13Å |
| 116 | H | 45.8 | Very low | 44.3 | Very low | 157 Ų | 157 | 164.4 Ų | 164.4 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | | | trans | -65 | 107.2 | 166.2 | -70.1 | 81 | 0 | 0 | 0 | 108.7 | N114 R118 | N114-H116 PolarHBondContact O-N 3.43Å; H116-R118 PolarHBondContact O-N 3.25Å |
| 117 | N | 48.8 | Very low | 44.7 | Very low | 160 Ų | 160 | 166.8 Ų | 166.8 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | | | trans | -66 | 97.3 | 166.3 | -81.9 | -42.5 | 0 | 0 | 0 | 109 | S115 | S115-N117 PolarHBondContact O-N 3.17Å; S115-N117 VanDerWaalsContact O-N 3.13Å |
| 118 | R | 48.8 | Very low | 44.8 | Very low | 232 Ų | 232 | 162.1 Ų | 162.1 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 121 | 162.7 | -95.9 | 179.5 | 168.1 | -159.7 | -3 | 108.3 | H116 H120 | H116-R118 PolarHBondContact O-N 3.25Å; R118-H120 PolarHBondContact O-N 3Å |
| 119 | P | 53.3 | Low | 45.3 | Very low | 106 Ų | 106 | 167.6 Ų | 167.6 | 69% | 0.688 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 120 | 162.9 | 13.3 | -7.6 | 0 | 0 | 0 | 109.3 | | |
| 120 | H | 46.7 | Very low | 45.5 | Very low | 162 Ų | 162 | 171.6 Ų | 171.6 | 75% | 0.75 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 117.8 | 171.2 | -141.4 | -101.5 | 0 | 0 | 0 | 107.4 | R118 D122 | R118-H120 PolarHBondContact O-N 3Å; H120-D122 IonicContact ND1-OD1 3.2Å; H120-D122 PolarHBondContact ND1-OD1 2.81Å; H120-D122 PolarHBondContact O-N 3.2Å |
| 121 | Y | 49.6 | Very low | 45.7 | Very low | 215 Ų | 215 | 172.6 Ų | 172.6 | 84% | 0.843 | 82% | 0.82 | S | S | * | * | | | trans | -83.3 | 106.2 | 166.3 | -72.3 | -81.7 | 0 | 0 | 0 | 107.4 | R123 | Y121-R123 PolarHBondContact O-N 3.42Š|
| 122 | D | 53 | Low | 45.6 | Very low | 139 Ų | 139 | 171.6 Ų | 171.6 | 74% | 0.743 | 82% | 0.816 | S | S | * | * | | | trans | -74 | 119.9 | 171.5 | -71.5 | -34.7 | 0 | 0 | 0 | 109.8 | H120 | H120-D122 IonicContact ND1-OD1 3.2Å; H120-D122 PolarHBondContact ND1-OD1 2.81Å; H120-D122 PolarHBondContact O-N 3.2Å |
| 123 | R | 40.3 | Very low | 46.3 | Very low | 219 Ų | 219 | 179.5 Ų | 179.5 | 83% | 0.826 | 82% | 0.818 | S | S | * | * | | | trans | -58.1 | 122.8 | 162.8 | 167.7 | -168.1 | -92.7 | -171.7 | -8.6 | 109 | Y121 | Y121-R123 PolarHBondContact O-N 3.42Š|
| 124 | Y | 45.7 | Very low | 46.9 | Very low | 302 Ų | 302 | 175.2 Ų | 175.2 | 100% | 1.184 | 81% | 0.812 | S | S | * | * | | | | -163.9 | 0 | 128.9 | -83.3 | -64.1 | 0 | 0 | 0 | 109.4 | | |