| 1 | M | 64.1 | Low | 65.8 | Low | 248 Ų | 248 | 144.3 Ų | 144.3 | 100% | 1.222 | 75% | 0.751 | S | S | * | * | | | | 0 | 117.3 | 0 | -63.7 | 163.9 | 98.6 | 0 | 0 | 105.9 | | |
| 2 | S | 66.7 | Low | 65.2 | Low | 110 Ų | 110 | 141.6 Ų | 141.6 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | | | trans | -77.8 | 134.2 | 177.8 | 49.2 | 0 | 0 | 0 | 0 | 109.6 | P4 | S2-P4 WeakPolarHBondContact O-CD 3.38Š|
| 3 | D | 70.6 | Confident | 64.9 | Low | 93 Ų | 93 | 140.3 Ų | 140.3 | 50% | 0.497 | 76% | 0.759 | S | S | . | * | | | trans | -65.5 | 121.6 | 179 | -170.7 | -26.7 | 0 | 0 | 0 | 110.5 | Y5 M6 | D3-Y5 PolarHBondContact O-N 3.06Å; D3-Y5 VanDerWaalsContact O-N 3.16Å; D3-Y5 PolarHBondContact OD1-N 3.26Å; D3-M6 HydrophobicContact CB-CB 4.48Å; D3-M6 HydrophobicContact CB-CG 4.19Å; D3-M6 PolarHBondContact O-N 3.23Å |
| 4 | P | 68.9 | Low | 64.9 | Low | 119 Ų | 119 | 138.9 Ų | 138.9 | 77% | 0.773 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -16 | 179.7 | -21.4 | 32.8 | 0 | 0 | 0 | 115.2 | S2 | S2-P4 WeakPolarHBondContact O-CD 3.38Š|
| 5 | Y | 67.9 | Low | 64.8 | Low | 202 Ų | 202 | 134.5 Ų | 134.5 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -1.5 | -176 | -62.1 | -80.2 | 0 | 0 | 0 | 113.9 | D3 | D3-Y5 PolarHBondContact O-N 3.06Å; D3-Y5 VanDerWaalsContact O-N 3.16Å; D3-Y5 PolarHBondContact OD1-N 3.26Å |
| 6 | M | 75.8 | Confident | 64.8 | Low | 129 Ų | 129 | 132.8 Ų | 132.8 | 64% | 0.635 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -93.9 | 120.7 | 173.5 | -74.5 | -71.8 | 119.9 | 0 | 0 | 109.7 | D3 S8 | D3-M6 HydrophobicContact CB-CB 4.48Å; D3-M6 HydrophobicContact CB-CG 4.19Å; D3-M6 PolarHBondContact O-N 3.23Å; M6-S8 PolarHBondContact O-N 3.05Å; M6-S8 VanDerWaalsContact O-N 3.12Å |
| 7 | P | 64.1 | Low | 64.7 | Low | 81 Ų | 81 | 132.7 Ų | 132.7 | 53% | 0.526 | 74% | 0.738 | S | S | . | * | | | trans | -59.6 | 121.3 | 170.2 | -14.5 | 26.4 | 0 | 0 | 0 | 108.2 | Y9 | P7-Y9 VanDerWaalsContact C-N 3.28Å; P7-Y9 HydrophobicContact CB-CD2 4.18Å; P7-Y9 HydrophobicContact CB-CE2 3.77Å; P7-Y9 HydrophobicContact CG-CE2 3.96Å; P7-Y9 WeakPolarHBondContact O-CD2 3.45Å; P7-Y9 PolarHBondContact O-N 2.74Å |
| 8 | S | 65.4 | Low | 64.2 | Low | 107 Ų | 107 | 131.4 Ų | 131.4 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | | | trans | -70.6 | 90.5 | 171.5 | -68.4 | 0 | 0 | 0 | 0 | 108 | M6 Y10 | M6-S8 PolarHBondContact O-N 3.05Å; M6-S8 VanDerWaalsContact O-N 3.12Å; S8-Y10 PolarHBondContact O-N 3.01Å |
| 9 | Y | 62.1 | Low | 63.9 | Low | 202 Ų | 202 | 128 Ų | 128 | 79% | 0.792 | 71% | 0.708 | S | S | * | * | | | trans | -68.4 | -9 | 177.2 | -73.6 | -79.4 | 0 | 0 | 0 | 113.3 | P7 A11 | P7-Y9 VanDerWaalsContact C-N 3.28Å; P7-Y9 HydrophobicContact CB-CD2 4.18Å; P7-Y9 HydrophobicContact CB-CE2 3.77Å; P7-Y9 HydrophobicContact CG-CE2 3.96Å; P7-Y9 WeakPolarHBondContact O-CD2 3.45Å; P7-Y9 PolarHBondContact O-N 2.74Å; Y9-A11 PolarHBondContact O-N 3.01Å |
| 10 | Y | 60.3 | Low | 63.6 | Low | 216 Ų | 216 | 127.3 Ų | 127.3 | 85% | 0.847 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -84.4 | 96.1 | 168.2 | -67.1 | -80.5 | 0 | 0 | 0 | 108.4 | S8 | S8-Y10 PolarHBondContact O-N 3.01Š|
| 11 | A | 57.7 | Low | 63.3 | Low | 80 Ų | 80 | 123 Ų | 123 | 66% | 0.661 | 69% | 0.687 | S | S | * | * | | | trans | -55 | 138.2 | 165.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y9 S13 | Y9-A11 PolarHBondContact O-N 3.01Å; A11-S13 PolarHBondContact O-N 3.23Å; A11-S13 VanDerWaalsContact O-N 3.14Å |
| 12 | P | 58.8 | Low | 63.1 | Low | 112 Ų | 112 | 117.9 Ų | 117.9 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | | | trans | -54.2 | 126.1 | 173.1 | -19.3 | 30.4 | 0 | 0 | 0 | 108.2 | I14 | P12-I14 VanDerWaalsContact C-N 3.32Å; P12-I14 PolarHBondContact O-N 2.95Å |
| 13 | S | 61.7 | Low | 62.8 | Low | 125 Ų | 125 | 113.3 Ų | 113.3 | 87% | 0.874 | 63% | 0.629 | S | S | * | * | | | trans | -62.3 | 99.9 | 169.8 | -60.5 | 0 | 0 | 0 | 0 | 107.6 | A11 G15 | A11-S13 PolarHBondContact O-N 3.23Å; A11-S13 VanDerWaalsContact O-N 3.14Å; S13-G15 PolarHBondContact O-N 2.85Å |
| 14 | I | 65 | Low | 62.1 | Low | 121 Ų | 121 | 114.4 Ų | 114.4 | 62% | 0.621 | 65% | 0.651 | S | S | * | * | | | trans | -70.4 | 100.9 | 172.2 | -71.5 | 168.6 | 0 | 0 | 0 | 106.2 | P12 F16 | P12-I14 VanDerWaalsContact C-N 3.32Å; P12-I14 PolarHBondContact O-N 2.95Å; I14-F16 HydrophobicContact CB-CE2 4.39Å; I14-F16 HydrophobicContact CB-CZ 4.31Å; I14-F16 HydrophobicContact CG2-CD1 4.03Å; I14-F16 HydrophobicContact CG2-CD2 4.21Å; I14-F16 HydrophobicContact CG2-CE1 3.56Å; I14-F16 HydrophobicContact CG2-CE2 3.77Å; I14-F16 HydrophobicContact CG2-CG 4.34Å; I14-F16 HydrophobicContact CG2-CZ 3.42Å; I14-F16 VanDerWaalsContact CG2-CZ 3.42Å; I14-F16 PolarHBondContact O-N 3.21Å |
| 15 | G | 63.1 | Low | 61.8 | Low | 72 Ų | 72 | 117.4 Ų | 117.4 | 74% | 0.742 | 65% | 0.647 | S | S | * | * | | | trans | -74.1 | 111.5 | 169 | 0 | 0 | 0 | 0 | 0 | 108.6 | S13 | S13-G15 PolarHBondContact O-N 2.85Š|
| 16 | F | 65.2 | Low | 61.4 | Low | 107 Ų | 107 | 109.2 Ų | 109.2 | 47% | 0.469 | 62% | 0.619 | S | S | . | * | | | trans | -80.3 | 141.2 | 171.9 | -63 | -78.4 | 0 | 0 | 0 | 109.5 | I14 Y18 L20 | I14-F16 HydrophobicContact CB-CE2 4.39Å; I14-F16 HydrophobicContact CB-CZ 4.31Å; I14-F16 HydrophobicContact CG2-CD1 4.03Å; I14-F16 HydrophobicContact CG2-CD2 4.21Å; I14-F16 HydrophobicContact CG2-CE1 3.56Å; I14-F16 HydrophobicContact CG2-CE2 3.77Å; I14-F16 HydrophobicContact CG2-CG 4.34Å; I14-F16 HydrophobicContact CG2-CZ 3.42Å; I14-F16 VanDerWaalsContact CG2-CZ 3.42Å; I14-F16 PolarHBondContact O-N 3.21Å; F16-Y18 HydrophobicContact CB-CD1 4.27Å; F16-Y18 HydrophobicContact CB-CD2 4.31Å; F16-Y18 HydrophobicContact CB-CE1 3.98Å; F16-Y18 HydrophobicContact CB-CE2 4.02Å; F16-Y18 HydrophobicContact CB-CG 4.43Å; F16-Y18 HydrophobicContact CD1-CE1 4.08Å; F16-Y18 AromaticContact CD1-CZ 3.74Å; F16-Y18 VanDerWaalsContact CD1-OH 3.29Å; F16-Y18 WeakPolarHBondContact CD1-OH 3.26Å; F16-Y18 HydrophobicContact CG-CE1 4.39Å; F16-Y18 HydrophobicContact CG-CE2 4.31Å; F16-Y18 AromaticContact CG-CZ 3.94Å; F16-Y18 PolarHBondContact O-N 3.01Å; F16-L20 HydrophobicContact CD2-CD1 4.37Å |
| 17 | P | 63 | Low | 60.8 | Low | 132 Ų | 132 | 108.1 Ų | 108.1 | 86% | 0.857 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -74.4 | -0.1 | 179.6 | 30.6 | -34.9 | 0 | 0 | 0 | 113.6 | | |
| 18 | Y | 55 | Low | 60.4 | Low | 109 Ų | 109 | 108 Ų | 108 | 43% | 0.427 | 63% | 0.625 | S | S | . | * | S | Bend | trans | -117.9 | 140.5 | 177.7 | 49.6 | -93 | 0 | 0 | 0 | 109.9 | F16 L20 | F16-Y18 HydrophobicContact CB-CD1 4.27Å; F16-Y18 HydrophobicContact CB-CD2 4.31Å; F16-Y18 HydrophobicContact CB-CE1 3.98Å; F16-Y18 HydrophobicContact CB-CE2 4.02Å; F16-Y18 HydrophobicContact CB-CG 4.43Å; F16-Y18 HydrophobicContact CD1-CE1 4.08Å; F16-Y18 AromaticContact CD1-CZ 3.74Å; F16-Y18 VanDerWaalsContact CD1-OH 3.29Å; F16-Y18 WeakPolarHBondContact CD1-OH 3.26Å; F16-Y18 HydrophobicContact CG-CE1 4.39Å; F16-Y18 HydrophobicContact CG-CE2 4.31Å; F16-Y18 AromaticContact CG-CZ 3.94Å; F16-Y18 PolarHBondContact O-N 3.01Å; Y18-L20 PolarHBondContact O-N 3.21Å |
| 19 | S | 59 | Low | 60.2 | Low | 67 Ų | 67 | 106.2 Ų | 106.2 | 47% | 0.469 | 63% | 0.625 | S | S | . | * | | | trans | -59.7 | 134.1 | 175.5 | -50 | 0 | 0 | 0 | 0 | 109 | G21 E22 | S19-G21 PolarHBondContact O-N 3.4Å; S19-E22 WeakPolarHBondContact CB-OE1 2.83Å; S19-E22 PolarHBondContact O-N 3.23Å; S19-E22 PolarHBondContact OG-OE1 3.06Å |
| 20 | L | 57.6 | Low | 60.2 | Low | 114 Ų | 114 | 101.7 Ų | 101.7 | 60% | 0.597 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.1 | -18.2 | 178.9 | -119.9 | 78.9 | 0 | 0 | 0 | 113.1 | F16 Y18 W25 S26 | F16-L20 HydrophobicContact CD2-CD1 4.37Å; Y18-L20 PolarHBondContact O-N 3.21Å; L20-W25 HydrophobicContact CG-CH2 4.26Å; L20-S26 WeakPolarHBondContact O-CB 3.02Å; L20-S26 PolarHBondContact O-OG 2.87Å |
| 21 | G | 58.1 | Low | 60.2 | Low | 37 Ų | 37 | 98.9 Ų | 98.9 | 38% | 0.381 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.6 | -16.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | S19 S26 A28 | S19-G21 PolarHBondContact O-N 3.4Å; G21-S26 VanDerWaalsContact O-CB 3.28Å; G21-S26 WeakPolarHBondContact O-CB 3.13Å; G21-A28 WeakPolarHBondContact O-CB 3.26Å |
| 22 | E | 59.4 | Low | 60.3 | Low | 140 Ų | 140 | 100.3 Ų | 100.3 | 65% | 0.654 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -94.7 | -4.9 | -175.7 | -65 | 165.5 | -146.7 | 0 | 0 | 112.7 | S19 | S19-E22 WeakPolarHBondContact CB-OE1 2.83Å; S19-E22 PolarHBondContact O-N 3.23Å; S19-E22 PolarHBondContact OG-OE1 3.06Å |
| 23 | A | 59.8 | Low | 60.4 | Low | 14 Ų | 14 | 99.3 Ų | 99.3 | 12% | 0.116 | 60% | 0.598 | C | S | . | * | S | Bend | trans | -64.1 | 144.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | W25 S26 | A23-W25 HydrophobicContact CB-CD2 3.91Å; A23-W25 HydrophobicContact CB-CG 4.18Å; A23-W25 HydrophobicContact CB-CH2 4.49Å; A23-W25 HydrophobicContact CB-CZ2 3.71Å; A23-W25 VanDerWaalsContact CB-NE1 3.34Å; A23-W25 PolarHBondContact O-N 3.46Å; A23-S26 WeakPolarHBondContact O-CA 3.25Å; A23-S26 VanDerWaalsContact O-CB 3.25Å; A23-S26 WeakPolarHBondContact O-CB 3.47Å; A23-S26 PolarHBondContact O-N 3.41Å |
| 24 | A | 56.5 | Low | 60.3 | Low | 117 Ų | 117 | 98.4 Ų | 98.4 | 97% | 0.967 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.9 | -15.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | | |
| 25 | W | 61.5 | Low | 59.6 | Low | 182 Ų | 182 | 101 Ų | 101 | 69% | 0.689 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -8 | 173.5 | 52 | -98.8 | 0 | 0 | 0 | 113.4 | L20 A23 T27 | L20-W25 HydrophobicContact CG-CH2 4.26Å; A23-W25 HydrophobicContact CB-CD2 3.91Å; A23-W25 HydrophobicContact CB-CG 4.18Å; A23-W25 HydrophobicContact CB-CH2 4.49Å; A23-W25 HydrophobicContact CB-CZ2 3.71Å; A23-W25 VanDerWaalsContact CB-NE1 3.34Å; A23-W25 PolarHBondContact O-N 3.46Å; W25-T27 PolarHBondContact O-N 2.9Å |
| 26 | S | 59.7 | Low | 59.2 | Low | 29 Ų | 29 | 104.4 Ų | 104.4 | 20% | 0.203 | 59% | 0.593 | C | S | . | * | | | trans | -81.9 | 115.5 | 179.8 | -65 | 0 | 0 | 0 | 0 | 109.6 | L20 G21 A23 A28 | L20-S26 WeakPolarHBondContact O-CB 3.02Å; L20-S26 PolarHBondContact O-OG 2.87Å; G21-S26 VanDerWaalsContact O-CB 3.28Å; G21-S26 WeakPolarHBondContact O-CB 3.13Å; A23-S26 WeakPolarHBondContact O-CA 3.25Å; A23-S26 VanDerWaalsContact O-CB 3.25Å; A23-S26 WeakPolarHBondContact O-CB 3.47Å; A23-S26 PolarHBondContact O-N 3.41Å; S26-A28 PolarHBondContact O-N 3.15Å |
| 27 | T | 63.1 | Low | 58.3 | Low | 107 Ų | 107 | 104.9 Ų | 104.9 | 66% | 0.656 | 61% | 0.605 | S | S | * | * | | | trans | -72.1 | 48.3 | 171.4 | -50.3 | 0 | 0 | 0 | 0 | 110.5 | W25 G29 D30 | W25-T27 PolarHBondContact O-N 2.9Å; T27-G29 PolarHBondContact O-N 3.3Å; T27-D30 HydrophobicContact CG2-CB 3.24Å; T27-D30 PolarHBondContact O-N 3.47Å |
| 28 | A | 56 | Low | 57.6 | Low | 77 Ų | 77 | 103.6 Ų | 103.6 | 64% | 0.636 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 62.4 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | G21 S26 | G21-A28 WeakPolarHBondContact O-CB 3.26Å; S26-A28 PolarHBondContact O-N 3.15Å |
| 29 | G | 61.9 | Low | 57.3 | Low | 71 Ų | 71 | 110 Ų | 110 | 73% | 0.732 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 120.2 | 9.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | T27 Q31 | T27-G29 PolarHBondContact O-N 3.3Å; G29-Q31 PolarHBondContact O-N 3.19Å |
| 30 | D | 61 | Low | 57 | Low | 107 Ų | 107 | 109.1 Ų | 109.1 | 57% | 0.572 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 133 | 171.5 | -148.7 | -1.6 | 0 | 0 | 0 | 109 | T27 | T27-D30 HydrophobicContact CG2-CB 3.24Å; T27-D30 PolarHBondContact O-N 3.47Å |
| 31 | Q | 60.1 | Low | 56.4 | Low | 156 Ų | 156 | 110.9 Ų | 110.9 | 73% | 0.729 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 140.6 | 179.1 | -77.5 | -91.6 | -88.2 | 0 | 0 | 108.8 | G29 M33 | G29-Q31 PolarHBondContact O-N 3.19Å; Q31-M33 PolarHBondContact O-N 3.3Å |
| 32 | P | 61.8 | Low | 56.1 | Low | 110 Ų | 110 | 118.1 Ų | 118.1 | 71% | 0.714 | 65% | 0.652 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 116.3 | 176.9 | 22.7 | -31.5 | 0 | 0 | 0 | 108.3 | P34 | P32-P34 WeakPolarHBondContact O-CD 2.88Å; P32-P34 VanDerWaalsContact O-N 3.15Å |
| 33 | M | 59.5 | Low | 55.6 | Low | 91 Ų | 91 | 114.8 Ų | 114.8 | 45% | 0.448 | 65% | 0.645 | S | S | . | * | P | Polyproline II helix | trans | -58 | 120.3 | 179.4 | -73.6 | -65.2 | -140.5 | 0 | 0 | 108.9 | Q31 Y35 L36 | Q31-M33 PolarHBondContact O-N 3.3Å; M33-Y35 HydrophobicContact CB-CD2 3.68Å; M33-Y35 HydrophobicContact CB-CE1 4.28Å; M33-Y35 HydrophobicContact CB-CE2 3.38Å; M33-Y35 HydrophobicContact CB-CG 4.31Å; M33-Y35 HydrophobicContact CE-CE2 4.06Å; M33-Y35 WeakPolarHBondContact CE-OH 3.45Å; M33-Y35 HydrophobicContact CG-CD2 4.44Å; M33-Y35 HydrophobicContact CG-CE2 3.66Å; M33-Y35 PolarHBondContact O-N 2.85Å; M33-Y35 HydrophobicContact SD-CE1 4.06Å; M33-Y35 HydrophobicContact SD-CE2 3.84Å; M33-Y35 PolarHBondContact SD-OH 3.12Å; M33-L36 PolarHBondContact O-N 3.29Å |
| 34 | P | 59.8 | Low | 55 | Low | 107 Ų | 107 | 120 Ų | 120 | 70% | 0.695 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -6.1 | -169 | 25.4 | -34.4 | 0 | 0 | 0 | 113.7 | P32 L36 | P32-P34 WeakPolarHBondContact O-CD 2.88Å; P32-P34 VanDerWaalsContact O-N 3.15Å; P34-L36 VanDerWaalsContact C-N 3.32Å |
| 35 | Y | 51.1 | Low | 54.9 | Low | 174 Ų | 174 | 118.8 Ų | 118.8 | 68% | 0.682 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -14.2 | -179.1 | 9.8 | -78.9 | 0 | 0 | 0 | 113.8 | M33 | M33-Y35 HydrophobicContact CB-CD2 3.68Å; M33-Y35 HydrophobicContact CB-CE1 4.28Å; M33-Y35 HydrophobicContact CB-CE2 3.38Å; M33-Y35 HydrophobicContact CB-CG 4.31Å; M33-Y35 HydrophobicContact CE-CE2 4.06Å; M33-Y35 WeakPolarHBondContact CE-OH 3.45Å; M33-Y35 HydrophobicContact CG-CD2 4.44Å; M33-Y35 HydrophobicContact CG-CE2 3.66Å; M33-Y35 PolarHBondContact O-N 2.85Å; M33-Y35 HydrophobicContact SD-CE1 4.06Å; M33-Y35 HydrophobicContact SD-CE2 3.84Å; M33-Y35 PolarHBondContact SD-OH 3.12Å |
| 36 | L | 54.2 | Low | 54.7 | Low | 144 Ų | 144 | 116.9 Ų | 116.9 | 75% | 0.754 | 67% | 0.668 | S | S | * | * | | | trans | -102.5 | 74.6 | 167.3 | -73 | 166.2 | 0 | 0 | 0 | 108.4 | M33 P34 T38 | M33-L36 PolarHBondContact O-N 3.29Å; P34-L36 VanDerWaalsContact C-N 3.32Å; L36-T38 VanDerWaalsContact C-N 3.26Å; L36-T38 PolarHBondContact O-N 2.99Å |
| 37 | T | 46.9 | Very low | 54.3 | Low | 117 Ų | 117 | 124.8 Ų | 124.8 | 72% | 0.718 | 70% | 0.701 | S | S | * | * | | | trans | -52.6 | 103 | 152.1 | -67 | 0 | 0 | 0 | 0 | 106.7 | Y39 | T37-Y39 PolarHBondContact O-N 2.98Š|
| 38 | T | 46.7 | Very low | 53.7 | Low | 106 Ų | 106 | 127.4 Ų | 127.4 | 65% | 0.65 | 71% | 0.705 | S | S | * | * | | | trans | -48.7 | 117 | 167.8 | -70 | 0 | 0 | 0 | 0 | 107.2 | L36 G40 | L36-T38 VanDerWaalsContact C-N 3.26Å; L36-T38 PolarHBondContact O-N 2.99Å; T38-G40 PolarHBondContact O-N 2.79Å |
| 39 | Y | 49.6 | Very low | 53.9 | Low | 244 Ų | 244 | 134.5 Ų | 134.5 | 96% | 0.957 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.6 | 27.5 | 176.3 | -91.7 | -88.2 | 0 | 0 | 0 | 113.8 | T37 | T37-Y39 PolarHBondContact O-N 2.98Š|
| 40 | G | 52.7 | Low | 53.8 | Low | 47 Ų | 47 | 137.7 Ų | 137.7 | 49% | 0.485 | 72% | 0.716 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -147.4 | 13 | -165.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | T38 | T38-G40 PolarHBondContact O-N 2.79Š|
| 41 | Q | 45.3 | Very low | 53.4 | Low | 152 Ų | 152 | 137.5 Ų | 137.5 | 71% | 0.71 | 72% | 0.721 | S | S | * | * | | | trans | -112.5 | 67.4 | 168.3 | -76 | -70.3 | -91.3 | 0 | 0 | 111.1 | | |
| 42 | M | 52.6 | Low | 53.2 | Low | 189 Ų | 189 | 138.2 Ų | 138.2 | 93% | 0.931 | 73% | 0.73 | S | S | * | * | | | trans | -97.4 | 74.4 | 159.5 | -55.8 | 173.9 | 103.2 | 0 | 0 | 108 | | |
| 43 | S | 48.9 | Very low | 52.8 | Low | 70 Ų | 70 | 135.7 Ų | 135.7 | 49% | 0.49 | 72% | 0.724 | S | S | . | * | | | trans | -164.6 | 118.3 | 165.3 | 60.7 | 0 | 0 | 0 | 0 | 104.9 | | |
| 44 | N | 46.6 | Very low | 52.7 | Low | 124 Ų | 124 | 137.9 Ų | 137.9 | 66% | 0.663 | 74% | 0.742 | S | S | * | * | | | | 179.5 | 77.7 | 55 | 43.6 | -2.2 | 0 | 0 | 0 | 109 | E46 | N44-E46 VanDerWaalsContact C-N 3.28Å; N44-E46 PolarHBondContact O-N 2.96Å |
| 45 | G | 54.8 | Low | 52.5 | Low | 90 Ų | 90 | 141.9 Ų | 141.9 | 93% | 0.928 | 75% | 0.748 | S | S | * | * | | | trans | 63.8 | 15.8 | 161 | 0 | 0 | 0 | 0 | 0 | 118.4 | | |
| 46 | E | 55.6 | Low | 52.7 | Low | 143 Ų | 143 | 139 Ų | 139 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | | | trans | -93.7 | 140.7 | 174.1 | -97.5 | 167.6 | 130.4 | 0 | 0 | 112.5 | N44 H48 | N44-E46 VanDerWaalsContact C-N 3.28Å; N44-E46 PolarHBondContact O-N 2.96Å; E46-H48 PolarHBondContact O-N 2.85Å |
| 47 | H | 51.5 | Low | 52.5 | Low | 194 Ų | 194 | 141.2 Ų | 141.2 | 90% | 0.898 | 76% | 0.761 | S | S | * | * | | | trans | -69.2 | 90.7 | 178.7 | -101.5 | -107.9 | 0 | 0 | 0 | 110.1 | Y49 | H47-Y49 PolarHBondContact O-N 2.82Š|
| 48 | H | 51 | Low | 52.7 | Low | 162 Ų | 162 | 141.7 Ų | 141.7 | 75% | 0.75 | 77% | 0.765 | S | S | * | * | | | trans | -69.8 | 116.9 | 167.5 | -65 | 147.4 | 0 | 0 | 0 | 109.5 | E46 I50 | E46-H48 PolarHBondContact O-N 2.85Å; H48-I50 PolarHBondContact O-N 2.78Å; H48-I50 VanDerWaalsContact O-N 3.1Å |
| 49 | Y | 59.5 | Low | 52.8 | Low | 227 Ų | 227 | 139.9 Ų | 139.9 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | | | trans | -62.2 | 109 | 174.5 | -130.7 | -95.2 | 0 | 0 | 0 | 108.6 | H47 | H47-Y49 PolarHBondContact O-N 2.82Š|
| 50 | I | 60.6 | Low | 52.4 | Low | 137 Ų | 137 | 133 Ų | 133 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | | | trans | -65.2 | 128.9 | 167.6 | -61.3 | -174 | 0 | 0 | 0 | 106.7 | H48 D52 | H48-I50 PolarHBondContact O-N 2.78Å; H48-I50 VanDerWaalsContact O-N 3.1Å; I50-D52 PolarHBondContact O-N 2.72Å |
| 51 | P | 52.5 | Low | 52.4 | Low | 104 Ų | 104 | 140 Ų | 140 | 68% | 0.675 | 79% | 0.787 | S | S | * | * | | | trans | -66.1 | 105.7 | 169.7 | 26.2 | -30.9 | 0 | 0 | 0 | 108.1 | G53 | P51-G53 PolarHBondContact O-N 2.71Š|
| 52 | D | 55.3 | Low | 52.4 | Low | 171 Ų | 171 | 135.2 Ų | 135.2 | 91% | 0.914 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 59.2 | 178.2 | -139.5 | -2.9 | 0 | 0 | 0 | 110.3 | I50 | I50-D52 PolarHBondContact O-N 2.72Š|
| 53 | G | 54.3 | Low | 52.3 | Low | 57 Ų | 57 | 134.4 Ų | 134.4 | 59% | 0.588 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.7 | 6.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115 | P51 F55 | P51-G53 PolarHBondContact O-N 2.71Å; G53-F55 PolarHBondContact O-N 3.42Å |
| 54 | V | 56.6 | Low | 52.5 | Low | 137 Ų | 137 | 136.4 Ų | 136.4 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 1.1 | 176.9 | -63.3 | 0 | 0 | 0 | 0 | 113.7 | | |
| 55 | F | 56.9 | Low | 53.1 | Low | 190 Ų | 190 | 133.9 Ų | 133.9 | 83% | 0.833 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.8 | 31.8 | -168.8 | -128.6 | -85.2 | 0 | 0 | 0 | 115.9 | G53 | G53-F55 PolarHBondContact O-N 3.42Š|
| 56 | S | 55.3 | Low | 53.2 | Low | 114 Ų | 114 | 134.7 Ų | 134.7 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | | | trans | -145.2 | 80.4 | 173 | -71 | 0 | 0 | 0 | 0 | 113.4 | | |
| 57 | Q | 48.5 | Very low | 53.2 | Low | 191 Ų | 191 | 135.3 Ų | 135.3 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | | | trans | -111.9 | 109.5 | 147.6 | -167.3 | 174.5 | -19.6 | 0 | 0 | 108.6 | | |
| 58 | P | 52.7 | Low | 53.4 | Low | 126 Ų | 126 | 133.2 Ų | 133.2 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | | | trans | -82.5 | 118.4 | 174.4 | 30.2 | -26.6 | 0 | 0 | 0 | 108.9 | | |
| 59 | G | 48.3 | Very low | 53.7 | Low | 69 Ų | 69 | 128.4 Ų | 128.4 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | | | trans | 168.6 | 88.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 116.7 | | |
| 60 | A | 42.1 | Very low | 53.3 | Low | 100 Ų | 100 | 123.6 Ų | 123.6 | 83% | 0.826 | 74% | 0.742 | S | S | * | * | | | trans | 55 | 106 | 142.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | G62 | A60-G62 PolarHBondContact O-N 3.42Š|
| 61 | L | 52.8 | Low | 53.2 | Low | 192 Ų | 192 | 123.4 Ų | 123.4 | 100% | 1.005 | 74% | 0.738 | S | S | * | * | | | trans | -45.6 | 104.1 | 150.1 | -60.7 | 163.8 | 0 | 0 | 0 | 109.9 | | |
| 62 | G | 43.8 | Very low | 53.5 | Low | 53 Ų | 53 | 121.9 Ų | 121.9 | 55% | 0.546 | 74% | 0.741 | S | S | . | * | | | trans | -149.9 | 89.6 | -174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | A60 T64 | A60-G62 PolarHBondContact O-N 3.42Å; G62-T64 VanDerWaalsContact C-N 3.33Å; G62-T64 PolarHBondContact O-N 2.93Å; G62-T64 PolarHBondContact O-OG1 2.94Å |
| 63 | N | 52 | Low | 53.9 | Low | 172 Ų | 172 | 119.9 Ų | 119.9 | 92% | 0.92 | 72% | 0.724 | S | S | * | * | | | trans | -19.2 | 65.4 | 168.8 | -163.4 | 43.8 | 0 | 0 | 0 | 118.9 | | |
| 64 | T | 52.7 | Low | 54.3 | Low | 112 Ų | 112 | 124.2 Ų | 124.2 | 69% | 0.687 | 73% | 0.734 | S | S | * | * | | | trans | -137.7 | 115.7 | 176.3 | -25 | 0 | 0 | 0 | 0 | 109.7 | G62 | G62-T64 VanDerWaalsContact C-N 3.33Å; G62-T64 PolarHBondContact O-N 2.93Å; G62-T64 PolarHBondContact O-OG1 2.94Å |
| 65 | P | 57.7 | Low | 54.8 | Low | 70 Ų | 70 | 126.4 Ų | 126.4 | 46% | 0.455 | 73% | 0.733 | S | S | . | * | | | trans | -68.4 | 136.4 | -178.6 | 26.9 | -31.3 | 0 | 0 | 0 | 110 | F67 L68 | P65-F67 HydrophobicContact CB-CD2 3.98Å; P65-F67 HydrophobicContact CB-CE2 4.38Å; P65-F67 PolarHBondContact O-N 3.1Å; P65-L68 HydrophobicContact CG-CD1 4.01Å; P65-L68 PolarHBondContact O-N 3.28Å |
| 66 | P | 58.1 | Low | 55.3 | Low | 108 Ų | 108 | 125.8 Ų | 125.8 | 70% | 0.701 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | 0.6 | -170.6 | 27.2 | -35.7 | 0 | 0 | 0 | 114.9 | | |
| 67 | F | 56.3 | Low | 55.3 | Low | 156 Ų | 156 | 125.3 Ų | 125.3 | 68% | 0.684 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.6 | -10.5 | -176.2 | -44.9 | -74.1 | 0 | 0 | 0 | 113.8 | P65 | P65-F67 HydrophobicContact CB-CD2 3.98Å; P65-F67 HydrophobicContact CB-CE2 4.38Å; P65-F67 PolarHBondContact O-N 3.1Å |
| 68 | L | 55.7 | Low | 55.8 | Low | 150 Ų | 150 | 119.4 Ų | 119.4 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.7 | -2.9 | -176.5 | -78.6 | 160.4 | 0 | 0 | 0 | 114.2 | P65 | P65-L68 HydrophobicContact CG-CD1 4.01Å; P65-L68 PolarHBondContact O-N 3.28Å |
| 69 | G | 56.2 | Low | 56.2 | Low | 60 Ų | 60 | 120.8 Ų | 120.8 | 62% | 0.619 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | 9.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | H71 | G69-H71 PolarHBondContact O-N 3.21Š|
| 70 | Q | 50.6 | Low | 56.4 | Low | 126 Ų | 126 | 119.7 Ų | 119.7 | 59% | 0.589 | 70% | 0.699 | S | S | * | * | | | trans | -79.6 | 98.3 | -176 | -160.1 | 170.9 | -7 | 0 | 0 | 109.1 | G72 F73 | Q70-G72 PolarHBondContact O-N 3.4Å; Q70-F73 HydrophobicContact CG-CE2 4.25Å |
| 71 | H | 58.8 | Low | 57.2 | Low | 134 Ų | 134 | 121.6 Ų | 121.6 | 62% | 0.62 | 70% | 0.696 | S | S | * | * | | | trans | -9.2 | 110.9 | 156.9 | -7.2 | -79.5 | 0 | 0 | 0 | 111.9 | G69 F73 | G69-H71 PolarHBondContact O-N 3.21Å; H71-F73 HydrophobicContact CB-CE1 4.42Å; H71-F73 HydrophobicContact CB-CE2 4.24Å; H71-F73 HydrophobicContact CB-CZ 4.04Å; H71-F73 AromaticContact CD2-CE2 3.77Å; H71-F73 AromaticContact CD2-CZ 3.55Å; H71-F73 WeakPolarHBondContact O-CD2 3.29Å; H71-F73 VanDerWaalsContact O-CE2 3.26Å; H71-F73 WeakPolarHBondContact O-CE2 3.48Å; H71-F73 PolarHBondContact O-N 2.59Å |
| 72 | G | 58.4 | Low | 57.3 | Low | 71 Ų | 71 | 121.1 Ų | 121.1 | 73% | 0.732 | 69% | 0.686 | S | S | * | * | | | trans | -65.4 | 92.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q70 N74 | Q70-G72 PolarHBondContact O-N 3.4Å; G72-N74 PolarHBondContact O-N 2.94Å |
| 73 | F | 65.1 | Low | 58 | Low | 129 Ų | 129 | 123.5 Ų | 123.5 | 57% | 0.566 | 69% | 0.694 | S | S | * | * | | | trans | -71.9 | 106.3 | 172.3 | -55.9 | -79 | 0 | 0 | 0 | 109 | Q70 H71 F75 | Q70-F73 HydrophobicContact CG-CE2 4.25Å; H71-F73 HydrophobicContact CB-CE1 4.42Å; H71-F73 HydrophobicContact CB-CE2 4.24Å; H71-F73 HydrophobicContact CB-CZ 4.04Å; H71-F73 AromaticContact CD2-CE2 3.77Å; H71-F73 AromaticContact CD2-CZ 3.55Å; H71-F73 WeakPolarHBondContact O-CD2 3.29Å; H71-F73 VanDerWaalsContact O-CE2 3.26Å; H71-F73 WeakPolarHBondContact O-CE2 3.48Å; H71-F73 PolarHBondContact O-N 2.59Å; F73-F75 HydrophobicContact CB-CE2 4.14Å; F73-F75 HydrophobicContact CB-CZ 4.41Å |
| 74 | N | 63 | Low | 58 | Low | 149 Ų | 149 | 121.6 Ų | 121.6 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | | | trans | -86.1 | 110.7 | 167.2 | -67.2 | -65.5 | 0 | 0 | 0 | 108.1 | G72 F76 | G72-N74 PolarHBondContact O-N 2.94Å; N74-F76 PolarHBondContact O-N 3.44Å |
| 75 | F | 65.8 | Low | 57.8 | Low | 182 Ų | 182 | 127 Ų | 127 | 80% | 0.798 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -77.7 | -5.4 | -179.9 | -72.9 | -84.7 | 0 | 0 | 0 | 114.2 | F73 | F73-F75 HydrophobicContact CB-CE2 4.14Å; F73-F75 HydrophobicContact CB-CZ 4.41Å |
| 76 | F | 67.1 | Low | 57.5 | Low | 178 Ų | 178 | 126.2 Ų | 126.2 | 78% | 0.781 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -112.5 | 126.7 | 176.1 | -59.4 | -75.2 | 0 | 0 | 0 | 108.4 | N74 G78 | N74-F76 PolarHBondContact O-N 3.44Å; F76-G78 PolarHBondContact O-N 3.31Å |
| 77 | P | 56.4 | Low | 57.3 | Low | 104 Ų | 104 | 127.1 Ų | 127.1 | 68% | 0.675 | 71% | 0.705 | S | S | * | * | | | trans | -63.3 | 111.5 | 169.7 | 26.1 | -30.3 | 0 | 0 | 0 | 107.6 | N79 A80 | P77-N79 PolarHBondContact O-N 2.84Å; P77-A80 HydrophobicContact CB-CB 4.22Å; P77-A80 HydrophobicContact CG-CB 4.12Å |
| 78 | G | 58.4 | Low | 56.8 | Low | 67 Ų | 67 | 125.2 Ų | 125.2 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 110.8 | 165 | 0 | 0 | 0 | 0 | 0 | 107.4 | F76 | F76-G78 PolarHBondContact O-N 3.31Š|
| 79 | N | 60.7 | Low | 56.8 | Low | 155 Ų | 155 | 121.5 Ų | 121.5 | 83% | 0.829 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.3 | 63.9 | 170.6 | -40.4 | 8.6 | 0 | 0 | 0 | 111.9 | P77 D81 | P77-N79 PolarHBondContact O-N 2.84Å; N79-D81 PolarHBondContact O-N 2.94Å |
| 80 | A | 53.8 | Low | 56.3 | Low | 46 Ų | 46 | 123.6 Ų | 123.6 | 38% | 0.38 | 71% | 0.714 | S | S | . | * | | | trans | -70.8 | 109.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | P77 F82 | P77-A80 HydrophobicContact CB-CB 4.22Å; P77-A80 HydrophobicContact CG-CB 4.12Å; A80-F82 VanDerWaalsContact O-CD2 3.26Å; A80-F82 WeakPolarHBondContact O-CD2 3.28Å; A80-F82 WeakPolarHBondContact O-CE2 3.43Å; A80-F82 PolarHBondContact O-N 3.03Å |
| 81 | D | 57.3 | Low | 56.2 | Low | 140 Ų | 140 | 126.9 Ų | 126.9 | 75% | 0.749 | 73% | 0.73 | S | S | * | * | | | trans | -63.8 | 113.8 | 163 | -72.4 | -42.5 | 0 | 0 | 0 | 108.2 | N79 S83 | N79-D81 PolarHBondContact O-N 2.94Å; D81-S83 PolarHBondContact O-N 3.37Å |
| 82 | F | 55.8 | Low | 55.6 | Low | 182 Ų | 182 | 123.8 Ų | 123.8 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -72.4 | 27.2 | -177.4 | -68.9 | -86.6 | 0 | 0 | 0 | 113.8 | A80 T84 | A80-F82 VanDerWaalsContact O-CD2 3.26Å; A80-F82 WeakPolarHBondContact O-CD2 3.28Å; A80-F82 WeakPolarHBondContact O-CE2 3.43Å; A80-F82 PolarHBondContact O-N 3.03Å; F82-T84 VanDerWaalsContact C-N 3.34Å |
| 83 | S | 57.5 | Low | 54.9 | Low | 102 Ų | 102 | 128.7 Ų | 128.7 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | G | 310 helix | trans | -80.1 | -13.9 | -178 | -59.4 | 0 | 0 | 0 | 0 | 113.4 | D81 W85 | D81-S83 PolarHBondContact O-N 3.37Å; S83-W85 VanDerWaalsContact C-N 3.33Å; S83-W85 PolarHBondContact O-N 3.06Å |
| 84 | T | 51.9 | Low | 53.9 | Low | 133 Ų | 133 | 128 Ų | 128 | 82% | 0.816 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -74.3 | -21.6 | -178.2 | -47.5 | 0 | 0 | 0 | 0 | 113.2 | F82 G86 | F82-T84 VanDerWaalsContact C-N 3.34Å; T84-G86 VanDerWaalsContact C-N 3.26Å; T84-G86 PolarHBondContact O-N 2.71Å |
| 85 | W | 50.1 | Low | 53.3 | Low | 224 Ų | 224 | 125.9 Ų | 125.9 | 85% | 0.848 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -95.7 | 38.9 | -178.6 | -66.6 | 71 | 0 | 0 | 0 | 112.3 | S83 T87 | S83-W85 VanDerWaalsContact C-N 3.33Å; S83-W85 PolarHBondContact O-N 3.06Å; W85-T87 PolarHBondContact O-N 3.01Å; W85-T87 VanDerWaalsContact O-N 3.15Å |
| 86 | G | 49.8 | Very low | 52.4 | Low | 54 Ų | 54 | 126 Ų | 126 | 56% | 0.557 | 74% | 0.744 | S | S | * | * | | | trans | -24.4 | 111.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | T84 S88 | T84-G86 VanDerWaalsContact C-N 3.26Å; T84-G86 PolarHBondContact O-N 2.71Å; G86-S88 PolarHBondContact O-N 3.14Å |
| 87 | T | 54 | Low | 51.1 | Low | 128 Ų | 128 | 121.9 Ų | 121.9 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | | | trans | 40.2 | 69.3 | 148.8 | -31 | 0 | 0 | 0 | 0 | 115.9 | W85 G89 | W85-T87 PolarHBondContact O-N 3.01Å; W85-T87 VanDerWaalsContact O-N 3.15Å; T87-G89 PolarHBondContact O-N 2.84Å; T87-G89 VanDerWaalsContact O-N 3.12Å |
| 88 | S | 46.1 | Very low | 50.9 | Low | 116 Ų | 116 | 123.7 Ų | 123.7 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | | | trans | -63.4 | 110 | 148 | -68.9 | 0 | 0 | 0 | 0 | 106.9 | G86 S90 | G86-S88 PolarHBondContact O-N 3.14Å; S88-S90 PolarHBondContact O-N 3.29Å |
| 89 | G | 55.7 | Low | 50.5 | Low | 71 Ų | 71 | 123.6 Ų | 123.6 | 73% | 0.732 | 75% | 0.746 | S | S | * | * | | | trans | -45.1 | 100.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 113 | T87 Q91 | T87-G89 PolarHBondContact O-N 2.84Å; T87-G89 VanDerWaalsContact O-N 3.12Å; G89-Q91 PolarHBondContact O-N 2.88Å |
| 90 | S | 46.8 | Very low | 49.5 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | | | trans | -75.8 | 109.1 | 164.6 | 43.1 | 0 | 0 | 0 | 0 | 107.2 | S88 G92 | S88-S90 PolarHBondContact O-N 3.29Å; S90-G92 PolarHBondContact O-N 3.23Å |
| 91 | Q | 48.4 | Very low | 48.8 | Very low | 195 Ų | 195 | 130.9 Ų | 130.9 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -48.8 | 135 | 159.8 | -67.6 | -171.9 | -1.6 | 0 | 0 | 109.4 | G89 | G89-Q91 PolarHBondContact O-N 2.88Š|
| 92 | G | 46.1 | Very low | 48.1 | Very low | 68 Ų | 68 | 133.5 Ų | 133.5 | 70% | 0.701 | 80% | 0.801 | S | S | * | * | | | trans | 101.7 | 58.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | S90 S94 | S90-G92 PolarHBondContact O-N 3.23Å; G92-S94 PolarHBondContact O-N 3.12Å |
| 93 | Q | 42.3 | Very low | 47.7 | Very low | 174 Ų | 174 | 131.1 Ų | 131.1 | 81% | 0.813 | 80% | 0.801 | S | S | * | * | | | trans | -68.8 | 86.5 | 150.6 | -174.8 | 170.8 | -18.9 | 0 | 0 | 108.4 | T95 | Q93-T95 VanDerWaalsContact C-N 3.27Å; Q93-T95 WeakPolarHBondContact CG-OG1 3.17Å; Q93-T95 PolarHBondContact NE2-OG1 3.16Å; Q93-T95 PolarHBondContact O-N 3.36Å |
| 94 | S | 44.9 | Very low | 47.2 | Very low | 116 Ų | 116 | 132.6 Ų | 132.6 | 81% | 0.811 | 81% | 0.806 | S | S | * | * | | | trans | -84 | 79.2 | 160.6 | 49.3 | 0 | 0 | 0 | 0 | 108.2 | G92 | G92-S94 PolarHBondContact O-N 3.12Š|
| 95 | T | 50.4 | Low | 46.9 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 63% | 0.632 | 81% | 0.805 | S | S | * | * | | | trans | -87.4 | 97.6 | 156.9 | -52.6 | 0 | 0 | 0 | 0 | 107.1 | Q93 | Q93-T95 VanDerWaalsContact C-N 3.27Å; Q93-T95 WeakPolarHBondContact CG-OG1 3.17Å; Q93-T95 PolarHBondContact NE2-OG1 3.16Å; Q93-T95 PolarHBondContact O-N 3.36Å |
| 96 | Q | 45.9 | Very low | 46.7 | Very low | 185 Ų | 185 | 127.2 Ų | 127.2 | 86% | 0.864 | 80% | 0.802 | S | S | * | * | | | trans | -130.7 | 97.4 | 156.6 | -84 | -164.9 | -34.5 | 0 | 0 | 110 | | |
| 97 | S | 41.4 | Very low | 46.6 | Very low | 92 Ų | 92 | 131.8 Ų | 131.8 | 64% | 0.643 | 82% | 0.818 | S | S | * | * | | | trans | 41.4 | 109.4 | 140.8 | 58.9 | 0 | 0 | 0 | 0 | 118.8 | A99 | S97-A99 PolarHBondContact O-N 2.96Š|
| 98 | S | 52.2 | Low | 46.1 | Very low | 141 Ų | 141 | 132 Ų | 132 | 99% | 0.986 | 82% | 0.82 | S | S | * | * | | | trans | -56 | 104.2 | 142.5 | -79.4 | 0 | 0 | 0 | 0 | 109.3 | | |
| 99 | A | 50.4 | Low | 46.1 | Very low | 66 Ų | 66 | 133.1 Ų | 133.1 | 55% | 0.545 | 82% | 0.821 | S | S | . | * | | | trans | -158.5 | 73.9 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S97 | S97-A99 PolarHBondContact O-N 2.96Š|
| 100 | Y | 39 | Very low | 45.3 | Very low | 234 Ų | 234 | 137.9 Ų | 137.9 | 92% | 0.918 | 83% | 0.827 | S | S | * | * | | | trans | -150.1 | 94.2 | 149.6 | -87.7 | -71.2 | 0 | 0 | 0 | 109.4 | | |
| 101 | S | 38.5 | Very low | 45.2 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 84% | 0.839 | 84% | 0.835 | S | S | * | * | | | trans | -96.2 | 116.8 | 153.4 | -52.2 | 0 | 0 | 0 | 0 | 106.6 | | |
| 102 | S | 42.8 | Very low | 44.9 | Very low | 194 Ų | 194 | 135.7 Ų | 135.7 | 100% | 1.357 | 83% | 0.828 | S | S | * | * | | | trans | -167.3 | 0 | 157.6 | -71.6 | 0 | 0 | 0 | 0 | 108.1 | | |