| 1 | M | 53.8 | Low | 57.7 | Low | 233 Ų | 233 | 168.4 Ų | 168.4 | 100% | 1.148 | 83% | 0.831 | S | S | * | * | | | | 0 | 96.5 | 0 | -67.6 | -100.7 | -92.5 | 0 | 0 | 104.6 | | |
| 2 | H | 58.5 | Low | 57.6 | Low | 195 Ų | 195 | 166.3 Ų | 166.3 | 90% | 0.903 | 83% | 0.826 | S | S | * | * | | | trans | -86.8 | 127.9 | -169.7 | -78.5 | 80.2 | 0 | 0 | 0 | 109.6 | | |
| 3 | E | 55.8 | Low | 57.5 | Low | 184 Ų | 184 | 161.9 Ų | 161.9 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | | | trans | -62 | 126.1 | -174.9 | -66.7 | 164.1 | 144.5 | 0 | 0 | 111.9 | Q5 | E3-Q5 PolarHBondContact O-N 3.46Š|
| 4 | T | 57.7 | Low | 57.7 | Low | 140 Ų | 140 | 159.1 Ų | 159.1 | 86% | 0.859 | 81% | 0.813 | S | S | * | * | | | trans | -88.2 | 94.3 | 162.4 | 43 | 0 | 0 | 0 | 0 | 108.1 | | |
| 5 | Q | 59 | Low | 57.9 | Low | 169 Ų | 169 | 160.7 Ų | 160.7 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | | | trans | -93.9 | 96.4 | 168 | -170.3 | 163.3 | 14 | 0 | 0 | 108.2 | E3 V7 | E3-Q5 PolarHBondContact O-N 3.46Å; Q5-V7 PolarHBondContact O-N 3.33Å |
| 6 | E | 60.8 | Low | 58.3 | Low | 175 Ų | 175 | 162.1 Ų | 162.1 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | | | trans | -69.1 | 112.9 | 168.5 | -73.7 | -170.4 | 146.6 | 0 | 0 | 109 | I8 | E6-I8 PolarHBondContact O-N 3.37Š|
| 7 | V | 61.6 | Low | 58.4 | Low | 116 Ų | 116 | 163.8 Ų | 163.8 | 70% | 0.703 | 82% | 0.82 | S | S | * | * | | | trans | -79.6 | 101.2 | 170.7 | 178.9 | 0 | 0 | 0 | 0 | 107 | Q5 E9 | Q5-V7 PolarHBondContact O-N 3.33Å; V7-E9 HydrophobicContact CG1-CG 4.3Å; V7-E9 PolarHBondContact O-N 2.64Å; V7-E9 VanDerWaalsContact O-N 3.17Å |
| 8 | I | 60.8 | Low | 58.3 | Low | 131 Ų | 131 | 163.1 Ų | 163.1 | 67% | 0.672 | 82% | 0.819 | S | S | * | * | | | trans | -81.4 | 92.9 | 171.5 | -53.8 | 177.2 | 0 | 0 | 0 | 107.5 | E6 S10 | E6-I8 PolarHBondContact O-N 3.37Å; I8-S10 VanDerWaalsContact C-N 3.29Å; I8-S10 WeakPolarHBondContact CG2-OG 3.34Å; I8-S10 PolarHBondContact O-N 2Å; I8-S10 PolarHBondContact O-OG 3.3Å |
| 9 | E | 55.3 | Low | 58 | Low | 187 Ų | 187 | 161.8 Ų | 161.8 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | | | trans | -63.1 | 92.6 | 163.2 | -75.6 | -176.3 | 157.4 | 0 | 0 | 108.7 | V7 | V7-E9 HydrophobicContact CG1-CG 4.3Å; V7-E9 PolarHBondContact O-N 2.64Å; V7-E9 VanDerWaalsContact O-N 3.17Å |
| 10 | S | 56.2 | Low | 58 | Low | 93 Ų | 93 | 162.3 Ų | 162.3 | 65% | 0.65 | 82% | 0.818 | S | S | * | * | | | trans | -128.3 | 65 | 174.2 | 39.3 | 0 | 0 | 0 | 0 | 108.7 | I8 | I8-S10 VanDerWaalsContact C-N 3.29Å; I8-S10 WeakPolarHBondContact CG2-OG 3.34Å; I8-S10 PolarHBondContact O-N 2Å; I8-S10 PolarHBondContact O-OG 3.3Å |
| 11 | R | 55.1 | Low | 57.8 | Low | 229 Ų | 229 | 157.2 Ų | 157.2 | 86% | 0.864 | 81% | 0.807 | S | S | * | * | | | trans | -125.5 | 131.8 | 162.4 | -76.9 | 176.7 | 82.7 | 162.6 | 3.6 | 106.6 | | |
| 12 | D | 56.6 | Low | 57.8 | Low | 144 Ų | 144 | 155 Ų | 155 | 77% | 0.77 | 79% | 0.793 | S | S | * | * | | | trans | 97 | 42.3 | 174.5 | -44.6 | -20.2 | 0 | 0 | 0 | 116 | V14 | D12-V14 PolarHBondContact O-N 3.05Å; D12-V14 VanDerWaalsContact O-N 3.1Å |
| 13 | C | 56.4 | Low | 57.5 | Low | 109 Ų | 109 | 154.3 Ų | 154.3 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | | | trans | -71.7 | 89 | 143.2 | -62.9 | 0 | 0 | 0 | 0 | 107.8 | F15 | C13-F15 HydrophobicContact CB-CE2 4.17Å; C13-F15 PolarHBondContact O-N 3.01Å; C13-F15 VanDerWaalsContact O-N 3.13Å |
| 14 | V | 60.5 | Low | 57.5 | Low | 122 Ų | 122 | 150 Ų | 150 | 74% | 0.739 | 78% | 0.784 | S | S | * | * | | | trans | -69.7 | 101.7 | 163.6 | -179.7 | 0 | 0 | 0 | 0 | 106 | D12 E16 | D12-V14 PolarHBondContact O-N 3.05Å; D12-V14 VanDerWaalsContact O-N 3.1Å; V14-E16 PolarHBondContact O-N 3.23Å |
| 15 | F | 60.3 | Low | 57.5 | Low | 184 Ų | 184 | 153.4 Ų | 153.4 | 81% | 0.807 | 78% | 0.782 | S | S | * | * | | | trans | -68.3 | 110.8 | 165 | -67.1 | -85.8 | 0 | 0 | 0 | 106.3 | C13 E17 | C13-F15 HydrophobicContact CB-CE2 4.17Å; C13-F15 PolarHBondContact O-N 3.01Å; C13-F15 VanDerWaalsContact O-N 3.13Å; F15-E17 PolarHBondContact O-N 2.8Å |
| 16 | E | 63.8 | Low | 57.2 | Low | 183 Ų | 183 | 152.5 Ų | 152.5 | 86% | 0.855 | 78% | 0.782 | S | S | * | * | | | trans | -59.2 | 112 | 160.4 | -71.7 | -169.3 | 158.1 | 0 | 0 | 106.3 | V14 D18 | V14-E16 PolarHBondContact O-N 3.23Å; E16-D18 PolarHBondContact O-N 3.12Å |
| 17 | E | 61.3 | Low | 56.8 | Low | 190 Ų | 190 | 152.5 Ų | 152.5 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | | | trans | -60.1 | 103.1 | 167.7 | -111.4 | 177.6 | 139.4 | 0 | 0 | 106.7 | F15 N19 | F15-E17 PolarHBondContact O-N 2.8Å; E17-N19 PolarHBondContact O-N 3.4Å |
| 18 | D | 56.4 | Low | 56.3 | Low | 152 Ų | 152 | 150.5 Ų | 150.5 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | | | trans | -56.3 | 107.1 | 164.4 | -109.6 | -37.6 | 0 | 0 | 0 | 106.5 | E16 I20 | E16-D18 PolarHBondContact O-N 3.12Å; D18-I20 VanDerWaalsContact C-N 3.31Å; D18-I20 VanDerWaalsContact O-CG1 3.23Å; D18-I20 WeakPolarHBondContact O-CG1 2.78Å; D18-I20 PolarHBondContact O-N 3.07Å |
| 19 | N | 52 | Low | 55.9 | Low | 139 Ų | 139 | 149.8 Ų | 149.8 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | | | trans | -67.3 | 90.8 | -177.2 | -168.9 | -11.5 | 0 | 0 | 0 | 108.3 | E17 G21 | E17-N19 PolarHBondContact O-N 3.4Å; N19-G21 PolarHBondContact O-N 3.04Å; N19-G21 WeakPolarHBondContact OD1-CA 3.48Å; N19-G21 PolarHBondContact OD1-N 3.46Å |
| 20 | I | 59 | Low | 55.9 | Low | 171 Ų | 171 | 145.1 Ų | 145.1 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | 15.9 | 174.2 | -25.5 | 178.9 | 0 | 0 | 0 | 111.4 | D18 E22 | D18-I20 VanDerWaalsContact C-N 3.31Å; D18-I20 VanDerWaalsContact O-CG1 3.23Å; D18-I20 WeakPolarHBondContact O-CG1 2.78Å; D18-I20 PolarHBondContact O-N 3.07Å; I20-E22 PolarHBondContact O-N 3.42Å |
| 21 | G | 53.1 | Low | 55.7 | Low | 56 Ų | 56 | 148.9 Ų | 148.9 | 58% | 0.577 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | -4.8 | -174.1 | 0 | 0 | 0 | 0 | 0 | 116.1 | N19 | N19-G21 PolarHBondContact O-N 3.04Å; N19-G21 WeakPolarHBondContact OD1-CA 3.48Å; N19-G21 PolarHBondContact OD1-N 3.46Å |
| 22 | E | 53 | Low | 55.5 | Low | 185 Ų | 185 | 144 Ų | 144 | 86% | 0.864 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -116.1 | 59.5 | -168.9 | -144.1 | -174.4 | 153.7 | 0 | 0 | 113.7 | I20 | I20-E22 PolarHBondContact O-N 3.42Š|
| 23 | K | 52.7 | Low | 55.3 | Low | 181 Ų | 181 | 143.4 Ų | 143.4 | 79% | 0.787 | 76% | 0.755 | S | S | * | * | | | trans | -168.4 | 58.2 | 150.9 | -104.3 | 168.5 | -167.5 | -179.1 | 0 | 108.3 | W25 | K23-W25 VanDerWaalsContact O-CD1 3.26Å; K23-W25 PolarHBondContact O-N 3.49Å |
| 24 | A | 56.5 | Low | 55.3 | Low | 95 Ų | 95 | 145.8 Ų | 145.8 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | | | trans | -61.4 | 103 | 154.3 | 0 | 0 | 0 | 0 | 0 | 105.1 | D26 | A24-D26 PolarHBondContact O-N 2.92Š|
| 25 | W | 58 | Low | 54.9 | Low | 211 Ų | 211 | 145.4 Ų | 145.4 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | | | trans | -51.4 | 118.2 | 175.3 | -72.4 | 62.3 | 0 | 0 | 0 | 106 | K23 H27 | K23-W25 VanDerWaalsContact O-CD1 3.26Å; K23-W25 PolarHBondContact O-N 3.49Å; W25-H27 PolarHBondContact O-CD2 2.8Å; W25-H27 PolarHBondContact O-N 2.61Å |
| 26 | D | 51.9 | Low | 54.8 | Low | 149 Ų | 149 | 144.1 Ų | 144.1 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | | | trans | -63.6 | 90.5 | 176.5 | -154.4 | -0.4 | 0 | 0 | 0 | 105.8 | A24 S28 | A24-D26 PolarHBondContact O-N 2.92Å; D26-S28 PolarHBondContact O-N 3.45Å |
| 27 | H | 53.3 | Low | 54.9 | Low | 176 Ų | 176 | 140.6 Ų | 140.6 | 82% | 0.815 | 75% | 0.745 | S | S | * | * | | | trans | -71.3 | 32.8 | 177.3 | -79.5 | -79.4 | 0 | 0 | 0 | 110.6 | W25 | W25-H27 PolarHBondContact O-CD2 2.8Å; W25-H27 PolarHBondContact O-N 2.61Å |
| 28 | S | 50.2 | Low | 55.1 | Low | 73 Ų | 73 | 140.9 Ų | 140.9 | 51% | 0.51 | 75% | 0.746 | S | S | . | * | | | trans | -53.8 | 130.7 | 159.9 | -173.3 | 0 | 0 | 0 | 0 | 106.9 | D26 V30 | D26-S28 PolarHBondContact O-N 3.45Å; S28-V30 PolarHBondContact O-N 2.86Å |
| 29 | P | 52.4 | Low | 55.8 | Low | 116 Ų | 116 | 139.5 Ų | 139.5 | 75% | 0.753 | 74% | 0.743 | S | S | * | * | | | trans | -64.7 | 89 | 171.2 | 27.4 | -31 | 0 | 0 | 0 | 106.5 | L31 | P29-L31 VanDerWaalsContact C-N 3.26Å; P29-L31 PolarHBondContact O-N 3.17Å |
| 30 | V | 54.4 | Low | 56.5 | Low | 90 Ų | 90 | 137.3 Ų | 137.3 | 55% | 0.545 | 74% | 0.744 | S | S | . | * | | | trans | -56 | 107.1 | 157.1 | 179.6 | 0 | 0 | 0 | 0 | 102.9 | S28 F32 | S28-V30 PolarHBondContact O-N 2.86Å; V30-F32 HydrophobicContact CB-CD2 4.42Å; V30-F32 HydrophobicContact CB-CE1 4.45Å; V30-F32 HydrophobicContact CB-CE2 4.29Å; V30-F32 HydrophobicContact CB-CZ 4.34Å; V30-F32 HydrophobicContact CG1-CD1 3.95Å; V30-F32 HydrophobicContact CG1-CE1 3.99Å; V30-F32 HydrophobicContact CG1-CG 4.27Å; V30-F32 HydrophobicContact CG1-CZ 4.37Å; V30-F32 WeakPolarHBondContact O-CD2 3.5Å; V30-F32 PolarHBondContact O-N 3.48Å |
| 31 | L | 52.4 | Low | 56.8 | Low | 172 Ų | 172 | 137.8 Ų | 137.8 | 90% | 0.901 | 74% | 0.74 | S | S | * | * | | | trans | -53.2 | 87.1 | 157.7 | -87.1 | 154.2 | 0 | 0 | 0 | 104.7 | P29 D33 | P29-L31 VanDerWaalsContact C-N 3.26Å; P29-L31 PolarHBondContact O-N 3.17Å; L31-D33 VanDerWaalsContact C-N 3.25Å; L31-D33 PolarHBondContact O-N 3.15Å |
| 32 | F | 52.4 | Low | 57.4 | Low | 127 Ų | 127 | 140.8 Ų | 140.8 | 56% | 0.557 | 75% | 0.749 | S | S | * | * | | | trans | -64.8 | 100.5 | 170.2 | -80.8 | -61.6 | 0 | 0 | 0 | 104 | V30 D34 Y36 | V30-F32 HydrophobicContact CB-CD2 4.42Å; V30-F32 HydrophobicContact CB-CE1 4.45Å; V30-F32 HydrophobicContact CB-CE2 4.29Å; V30-F32 HydrophobicContact CB-CZ 4.34Å; V30-F32 HydrophobicContact CG1-CD1 3.95Å; V30-F32 HydrophobicContact CG1-CE1 3.99Å; V30-F32 HydrophobicContact CG1-CG 4.27Å; V30-F32 HydrophobicContact CG1-CZ 4.37Å; V30-F32 WeakPolarHBondContact O-CD2 3.5Å; V30-F32 PolarHBondContact O-N 3.48Å; F32-D34 PolarHBondContact O-N 3.43Å; F32-D34 VanDerWaalsContact O-N 3.13Å; F32-Y36 HydrophobicContact CB-CE2 4.06Å; F32-Y36 AromaticContact CD1-CE2 3.32Å; F32-Y36 HydrophobicContact CD1-CE2 3.32Å; F32-Y36 AromaticContact CD1-CZ 3.63Å; F32-Y36 WeakPolarHBondContact CD1-OH 2.97Å; F32-Y36 AromaticContact CE1-CE2 3.92Å; F32-Y36 HydrophobicContact CE1-CE2 3.92Å; F32-Y36 AromaticContact CE1-CZ 3.75Å; F32-Y36 WeakPolarHBondContact CE1-OH 2.78Å; F32-Y36 AromaticContact CG-CE2 3.84Å; F32-Y36 HydrophobicContact CG-CE2 3.84Å |
| 33 | D | 52.3 | Low | 57.5 | Low | 131 Ų | 131 | 140.9 Ų | 140.9 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | | | trans | -45.4 | 120 | 158.6 | -161.8 | -15.6 | 0 | 0 | 0 | 105.6 | L31 T35 | L31-D33 VanDerWaalsContact C-N 3.25Å; L31-D33 PolarHBondContact O-N 3.15Å; D33-T35 PolarHBondContact O-N 3.21Å; D33-T35 PolarHBondContact OD1-OG1 2.84Å |
| 34 | D | 54.9 | Low | 57.7 | Low | 159 Ų | 159 | 139.9 Ų | 139.9 | 85% | 0.85 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -64.6 | 21.5 | -168.3 | -97.3 | -32.6 | 0 | 0 | 0 | 113.4 | F32 Y36 | F32-D34 PolarHBondContact O-N 3.43Å; F32-D34 VanDerWaalsContact O-N 3.13Å; D34-Y36 VanDerWaalsContact C-N 3.29Å; D34-Y36 PolarHBondContact O-N 3.06Å |
| 35 | T | 53.7 | Low | 57.6 | Low | 113 Ų | 113 | 137.8 Ų | 137.8 | 69% | 0.693 | 74% | 0.735 | S | S | * | * | | | trans | -93.8 | 42.5 | -176.9 | -39 | 0 | 0 | 0 | 0 | 111.1 | D33 | D33-T35 PolarHBondContact O-N 3.21Å; D33-T35 PolarHBondContact OD1-OG1 2.84Å |
| 36 | Y | 58.1 | Low | 57.6 | Low | 158 Ų | 158 | 137 Ų | 137 | 62% | 0.62 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 117.9 | 163.2 | -80.4 | -81.1 | 0 | 0 | 0 | 109.3 | F32 D34 Q38 | F32-Y36 HydrophobicContact CB-CE2 4.06Å; F32-Y36 AromaticContact CD1-CE2 3.32Å; F32-Y36 HydrophobicContact CD1-CE2 3.32Å; F32-Y36 AromaticContact CD1-CZ 3.63Å; F32-Y36 WeakPolarHBondContact CD1-OH 2.97Å; F32-Y36 AromaticContact CE1-CE2 3.92Å; F32-Y36 HydrophobicContact CE1-CE2 3.92Å; F32-Y36 AromaticContact CE1-CZ 3.75Å; F32-Y36 WeakPolarHBondContact CE1-OH 2.78Å; F32-Y36 AromaticContact CG-CE2 3.84Å; F32-Y36 HydrophobicContact CG-CE2 3.84Å; D34-Y36 VanDerWaalsContact C-N 3.29Å; D34-Y36 PolarHBondContact O-N 3.06Å; Y36-Q38 PolarHBondContact O-N 3.18Å |
| 37 | S | 65.9 | Low | 57.3 | Low | 109 Ų | 109 | 134.7 Ų | 134.7 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -49.7 | 123.4 | 169.3 | -61.3 | 0 | 0 | 0 | 0 | 109.6 | V39 | S37-V39 PolarHBondContact O-N 3.31Š|
| 38 | Q | 64.4 | Low | 57.1 | Low | 195 Ų | 195 | 131.6 Ų | 131.6 | 91% | 0.911 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 116.7 | 172.2 | -82.5 | -178.6 | 6.8 | 0 | 0 | 109 | Y36 A40 | Y36-Q38 PolarHBondContact O-N 3.18Å; Q38-A40 PolarHBondContact O-N 3.04Å |
| 39 | V | 71.6 | Confident | 57.1 | Low | 123 Ų | 123 | 130.6 Ų | 130.6 | 75% | 0.745 | 74% | 0.735 | S | S | * | * | | | trans | -81 | 107.9 | 168.7 | -169 | 0 | 0 | 0 | 0 | 106.4 | S37 | S37-V39 PolarHBondContact O-N 3.31Š|
| 40 | A | 67.4 | Low | 57.2 | Low | 93 Ų | 93 | 128.4 Ų | 128.4 | 77% | 0.769 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 121.5 | 170.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | Q38 | Q38-A40 PolarHBondContact O-N 3.04Š|
| 41 | F | 64.9 | Low | 57.2 | Low | 182 Ų | 182 | 133.3 Ų | 133.3 | 80% | 0.798 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 139.2 | 166.7 | -68.1 | -80.3 | 0 | 0 | 0 | 108.8 | Q43 | F41-Q43 PolarHBondContact O-N 3.35Š|
| 42 | P | 65.7 | Low | 57.4 | Low | 118 Ų | 118 | 130.5 Ų | 130.5 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 134.5 | 171.7 | 24.5 | -31.8 | 0 | 0 | 0 | 108.5 | E44 | P42-E44 PolarHBondContact O-N 3.28Š|
| 43 | Q | 54.5 | Low | 57.4 | Low | 187 Ų | 187 | 127.7 Ų | 127.7 | 87% | 0.874 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 119.5 | 173 | -172.9 | 169.4 | 22.6 | 0 | 0 | 107.2 | F41 G45 | F41-Q43 PolarHBondContact O-N 3.35Å; Q43-G45 PolarHBondContact O-N 3.49Å |
| 44 | E | 56.7 | Low | 57.4 | Low | 161 Ų | 161 | 126 Ų | 126 | 75% | 0.752 | 74% | 0.736 | S | S | * | * | | | trans | -57.4 | 105.8 | 174.3 | -160 | 172.8 | -177.5 | 0 | 0 | 105.8 | P42 Q46 | P42-E44 PolarHBondContact O-N 3.28Å; E44-Q46 PolarHBondContact O-N 2.69Å |
| 45 | G | 55.6 | Low | 57.3 | Low | 51 Ų | 51 | 119.8 Ų | 119.8 | 53% | 0.526 | 71% | 0.705 | S | S | . | * | | | trans | -51.6 | 143.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 107 | Q43 N47 | Q43-G45 PolarHBondContact O-N 3.49Å; G45-N47 PolarHBondContact O-N 2.68Å |
| 46 | Q | 56.9 | Low | 57.3 | Low | 194 Ų | 194 | 118.7 Ų | 118.7 | 91% | 0.907 | 69% | 0.694 | S | S | * | * | | | trans | -55.6 | 90.9 | 171.8 | -77.3 | 176.3 | -13.1 | 0 | 0 | 107.6 | E44 A48 | E44-Q46 PolarHBondContact O-N 2.69Å; Q46-A48 PolarHBondContact O-N 3.13Å |
| 47 | N | 46.7 | Very low | 57.2 | Low | 100 Ų | 100 | 116.5 Ų | 116.5 | 54% | 0.535 | 70% | 0.699 | S | S | . | * | | | trans | -63.8 | 94.8 | 162.3 | -79.9 | -43.3 | 0 | 0 | 0 | 103 | G45 G49 | G45-N47 PolarHBondContact O-N 2.68Å; N47-G49 CarbonylContact O-C 3.53Å; N47-G49 PolarHBondContact O-N 2.9Å |
| 48 | A | 49 | Very low | 56.8 | Low | 112 Ų | 112 | 117.8 Ų | 117.8 | 93% | 0.926 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -66 | 27 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q46 | Q46-A48 PolarHBondContact O-N 3.13Š|
| 49 | G | 49.9 | Very low | 56.2 | Low | 52 Ų | 52 | 110.4 Ų | 110.4 | 54% | 0.536 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -145.4 | 85.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | N47 Y51 | N47-G49 CarbonylContact O-C 3.53Å; N47-G49 PolarHBondContact O-N 2.9Å; G49-Y51 PolarHBondContact O-N 3.32Å |
| 50 | G | 53.1 | Low | 55.2 | Low | 69 Ų | 69 | 110.5 Ų | 110.5 | 71% | 0.711 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -54 | 126.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | | |
| 51 | Y | 55.3 | Low | 54.3 | Low | 193 Ų | 193 | 108.9 Ų | 108.9 | 76% | 0.757 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 131.3 | 170.5 | -71.5 | -85.4 | 0 | 0 | 0 | 107.9 | G49 G53 | G49-Y51 PolarHBondContact O-N 3.32Å; Y51-G53 PolarHBondContact O-N 3.29Å |
| 52 | P | 55.9 | Low | 53.8 | Low | 113 Ų | 113 | 105.9 Ų | 105.9 | 73% | 0.734 | 65% | 0.646 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 119.1 | 174.8 | 22.4 | -30.6 | 0 | 0 | 0 | 107.4 | V54 | P52-V54 PolarHBondContact O-N 3.19Š|
| 53 | G | 53.6 | Low | 53 | Low | 69 Ų | 69 | 108.8 Ų | 108.8 | 71% | 0.711 | 65% | 0.647 | S | S | * | * | | | trans | -55.8 | 115.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | Y51 C55 | Y51-G53 PolarHBondContact O-N 3.29Å; G53-C55 PolarHBondContact O-N 3.32Å |
| 54 | V | 52.6 | Low | 52.9 | Low | 95 Ų | 95 | 107 Ų | 107 | 58% | 0.576 | 64% | 0.643 | S | S | * | * | | | trans | -77.8 | 115.1 | 177.4 | -164.1 | 0 | 0 | 0 | 0 | 107.3 | P52 L56 Y73 | P52-V54 PolarHBondContact O-N 3.19Å; V54-L56 PolarHBondContact O-N 3.17Å; V54-Y73 HydrophobicContact CG1-CD1 4.16Å; V54-Y73 HydrophobicContact CG1-CG 4.16Å |
| 55 | C | 52.2 | Low | 52.6 | Low | 28 Ų | 28 | 108.2 Ų | 108.2 | 19% | 0.189 | 66% | 0.655 | C | S | . | * | | | trans | -72.4 | 107.3 | 174 | -63.6 | 0 | 0 | 0 | 0 | 108.7 | G53 C69 | G53-C55 PolarHBondContact O-N 3.32Å; C55-C69 VanDerWaalsContact CA-SG 3.57Å; C55-C69 HydrophobicContact CB-CB 3.28Å; C55-C69 WeakPolarHBondContact CB-SG 3.46Å; C55-C69 WeakPolarHBondContact SG-CB 3.39Å; C55-C69 CovalentContact SG-SG 2Å; C55-C69 PolarHBondContact SG-SG 2.94Å |
| 56 | L | 54.3 | Low | 52.4 | Low | 90 Ų | 90 | 108.6 Ų | 108.6 | 47% | 0.471 | 65% | 0.653 | S | S | . | * | | | trans | -60 | 141.2 | 172.7 | -69.1 | 174.4 | 0 | 0 | 0 | 108.8 | V54 N58 G59 V62 | V54-L56 PolarHBondContact O-N 3.17Å; L56-N58 PolarHBondContact O-N 3.27Å; L56-G59 PolarHBondContact O-N 2.69Å; L56-V62 HydrophobicContact CD1-CG2 4.46Å |
| 57 | P | 55.3 | Low | 52.3 | Low | 112 Ų | 112 | 107.8 Ų | 107.8 | 73% | 0.727 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -11.2 | -174.5 | 20.5 | -31.9 | 0 | 0 | 0 | 114.5 | | |
| 58 | N | 56.4 | Low | 52.7 | Low | 137 Ų | 137 | 107.8 Ų | 107.8 | 73% | 0.733 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 16.6 | 177.2 | -66.1 | -14.8 | 0 | 0 | 0 | 113.8 | L56 L60 | L56-N58 PolarHBondContact O-N 3.27Å; N58-L60 PolarHBondContact O-N 2.89Å |
| 59 | G | 52.6 | Low | 52.9 | Low | 39 Ų | 39 | 104.5 Ų | 104.5 | 40% | 0.402 | 63% | 0.625 | S | S | . | * | S | Bend | trans | 67.5 | 6.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L56 T61 | L56-G59 PolarHBondContact O-N 2.69Å; G59-T61 PolarHBondContact O-N 2.72Å |
| 60 | L | 49.9 | Very low | 53.2 | Low | 125 Ų | 125 | 108.4 Ų | 108.4 | 65% | 0.654 | 64% | 0.639 | S | S | * | * | | | trans | -89.1 | 100.7 | 178.8 | -83.6 | 155.2 | 0 | 0 | 0 | 109.9 | N58 V62 | N58-L60 PolarHBondContact O-N 2.89Å; L60-V62 PolarHBondContact O-N 2.84Å |
| 61 | T | 50 | Low | 53.3 | Low | 60 Ų | 60 | 112.5 Ų | 112.5 | 37% | 0.368 | 64% | 0.639 | S | S | . | * | | | trans | -76.2 | 117.1 | 163.9 | 37.7 | 0 | 0 | 0 | 0 | 108.8 | G59 K63 A66 | G59-T61 PolarHBondContact O-N 2.72Å; T61-K63 PolarHBondContact O-N 3.01Å; T61-A66 PolarHBondContact OG1-O 3.49Å |
| 62 | V | 54.3 | Low | 53.2 | Low | 119 Ų | 119 | 107.8 Ų | 107.8 | 72% | 0.721 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -73.3 | 102.1 | 173.9 | 178.1 | 0 | 0 | 0 | 0 | 107.9 | L56 L60 | L56-V62 HydrophobicContact CD1-CG2 4.46Å; L60-V62 PolarHBondContact O-N 2.84Å |
| 63 | K | 48.5 | Very low | 52.9 | Low | 178 Ų | 178 | 109.1 Ų | 109.1 | 77% | 0.774 | 62% | 0.623 | S | S | * | * | S | Bend | trans | 96.9 | 130.3 | 167.6 | -64 | 172 | 173.7 | 176.7 | 0 | 117.5 | T61 | T61-K63 PolarHBondContact O-N 3.01Š|
| 64 | N | 51.4 | Low | 52.7 | Low | 149 Ų | 149 | 110 Ų | 110 | 80% | 0.797 | 62% | 0.619 | S | S | * | * | S | Bend | trans | 70.6 | 78.3 | 162.5 | -80.1 | -13.7 | 0 | 0 | 0 | 118.1 | A66 | N64-A66 WeakPolarHBondContact O-CA 3.06Å; N64-A66 WeakPolarHBondContact O-CB 3.23Å; N64-A66 PolarHBondContact O-N 2.93Å |
| 65 | N | 50.9 | Low | 53 | Low | 187 Ų | 187 | 111.4 Ų | 111.4 | 100% | 1 | 63% | 0.627 | S | S | * | * | S | Bend | trans | 46.2 | 22.8 | 152.4 | -87.6 | -7 | 0 | 0 | 0 | 116.6 | | |
| 66 | A | 52 | Low | 53.3 | Low | 59 Ų | 59 | 118.6 Ų | 118.6 | 49% | 0.488 | 66% | 0.658 | S | S | . | * | | | trans | -101 | 126.2 | -171.4 | 0 | 0 | 0 | 0 | 0 | 107.1 | T61 N64 | T61-A66 PolarHBondContact OG1-O 3.49Å; N64-A66 WeakPolarHBondContact O-CA 3.06Å; N64-A66 WeakPolarHBondContact O-CB 3.23Å; N64-A66 PolarHBondContact O-N 2.93Å |
| 67 | Q | 55.4 | Low | 53.1 | Low | 177 Ų | 177 | 121.5 Ų | 121.5 | 83% | 0.827 | 67% | 0.674 | S | S | * | * | | | trans | -37.8 | 143.7 | -174.6 | -77.8 | 169.1 | -100.6 | 0 | 0 | 113.7 | C69 | Q67-C69 PolarHBondContact O-N 3.19Š|
| 68 | P | 54 | Low | 53 | Low | 100 Ų | 100 | 123.9 Ų | 123.9 | 65% | 0.649 | 68% | 0.676 | S | S | * | * | | | trans | -57 | 135.5 | 172.5 | 25.9 | -33.5 | 0 | 0 | 0 | 109.5 | T70 | P68-T70 PolarHBondContact O-N 2.83Š|
| 69 | C | 52.5 | Low | 52.6 | Low | 43 Ų | 43 | 126.5 Ų | 126.5 | 29% | 0.291 | 69% | 0.686 | S | S | . | * | | | trans | -61.8 | 130.8 | 177.4 | -70.8 | 0 | 0 | 0 | 0 | 112.3 | C55 Q67 | C55-C69 VanDerWaalsContact CA-SG 3.57Å; C55-C69 HydrophobicContact CB-CB 3.28Å; C55-C69 WeakPolarHBondContact CB-SG 3.46Å; C55-C69 WeakPolarHBondContact SG-CB 3.39Å; C55-C69 CovalentContact SG-SG 2Å; C55-C69 PolarHBondContact SG-SG 2.94Å; Q67-C69 PolarHBondContact O-N 3.19Å |
| 70 | T | 57.5 | Low | 52.4 | Low | 135 Ų | 135 | 130.1 Ų | 130.1 | 83% | 0.828 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -79 | -19.9 | -179.5 | -46.2 | 0 | 0 | 0 | 0 | 113.2 | P68 | P68-T70 PolarHBondContact O-N 2.83Š|
| 71 | E | 55.4 | Low | 52.3 | Low | 155 Ų | 155 | 127.6 Ų | 127.6 | 72% | 0.724 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -139.9 | 129.3 | -173.8 | -68 | -92.1 | 131.8 | 0 | 0 | 111 | | |
| 72 | P | 53.6 | Low | 52.3 | Low | 93 Ų | 93 | 133.1 Ų | 133.1 | 60% | 0.604 | 72% | 0.723 | S | S | * | * | | | trans | -73.9 | 138.7 | 175.9 | 29 | -32 | 0 | 0 | 0 | 111.6 | S74 | P72-S74 PolarHBondContact O-N 2.91Š|
| 73 | Y | 49.5 | Very low | 51.9 | Low | 141 Ų | 141 | 133.6 Ų | 133.6 | 55% | 0.553 | 73% | 0.728 | S | S | * | * | | | trans | -76.9 | 114.5 | 176.5 | -171.3 | -96 | 0 | 0 | 0 | 110.5 | V54 V75 | V54-Y73 HydrophobicContact CG1-CD1 4.16Å; V54-Y73 HydrophobicContact CG1-CG 4.16Å; Y73-V75 HydrophobicContact CD1-CG2 4.31Å |
| 74 | S | 49.4 | Very low | 51.7 | Low | 89 Ų | 89 | 130.9 Ų | 130.9 | 62% | 0.622 | 73% | 0.732 | S | S | * | * | | | trans | -86.4 | 124.6 | 174.1 | -67.9 | 0 | 0 | 0 | 0 | 111 | P72 E76 | P72-S74 PolarHBondContact O-N 2.91Å; S74-E76 PolarHBondContact O-N 2.95Å; S74-E76 VanDerWaalsContact O-N 3.12Å |
| 75 | V | 58.9 | Low | 51.4 | Low | 124 Ų | 124 | 136.6 Ų | 136.6 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | G | 310 helix | trans | -80.8 | 18.9 | -172.1 | -174 | 0 | 0 | 0 | 0 | 113 | Y73 D77 | Y73-V75 HydrophobicContact CD1-CG2 4.31Å; V75-D77 PolarHBondContact O-N 3.07Å |
| 76 | E | 57.6 | Low | 51.4 | Low | 178 Ų | 178 | 134.1 Ų | 134.1 | 83% | 0.832 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -84.8 | -6.9 | -169.5 | -66.2 | -170.9 | 133.4 | 0 | 0 | 114.8 | S74 | S74-E76 PolarHBondContact O-N 2.95Å; S74-E76 VanDerWaalsContact O-N 3.12Å |
| 77 | D | 50.3 | Low | 51.4 | Low | 151 Ų | 151 | 138 Ų | 138 | 81% | 0.807 | 76% | 0.755 | S | S | * | * | G | 310 helix | trans | -108.2 | 13.8 | -169.2 | -108 | -56.8 | 0 | 0 | 0 | 116.9 | V75 | V75-D77 PolarHBondContact O-N 3.07Š|
| 78 | Q | 52.3 | Low | 51.1 | Low | 163 Ų | 163 | 135.8 Ų | 135.8 | 76% | 0.762 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -110.8 | 1.2 | 179.3 | -89.9 | -165.4 | 75.1 | 0 | 0 | 116.9 | T80 | Q78-T80 PolarHBondContact O-N 3.19Š|
| 79 | M | 49 | Very low | 51 | Low | 191 Ų | 191 | 137.9 Ų | 137.9 | 94% | 0.941 | 76% | 0.757 | S | S | * | * | | | trans | -92.4 | 20.9 | 177.4 | -72.4 | -156.8 | -163.4 | 0 | 0 | 115.3 | | |
| 80 | T | 48.1 | Very low | 50.9 | Low | 116 Ų | 116 | 143.9 Ų | 143.9 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | | | trans | -113 | 40.3 | 174.5 | -26.9 | 0 | 0 | 0 | 0 | 113.3 | Q78 K82 | Q78-T80 PolarHBondContact O-N 3.19Å; T80-K82 VanDerWaalsContact C-N 3.35Å; T80-K82 PolarHBondContact O-N 3.1Å; T80-K82 VanDerWaalsContact O-N 3.15Å |
| 81 | G | 48 | Very low | 50.4 | Low | 71 Ų | 71 | 144.5 Ų | 144.5 | 73% | 0.732 | 78% | 0.783 | S | S | * | * | | | trans | -77.9 | 82.1 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 82 | K | 49.3 | Very low | 50.1 | Low | 177 Ų | 177 | 143.7 Ų | 143.7 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | | | trans | -60.1 | 127.9 | 165.4 | -83.9 | -179.9 | 174.9 | 177 | 0 | 108.6 | T80 S84 | T80-K82 VanDerWaalsContact C-N 3.35Å; T80-K82 PolarHBondContact O-N 3.1Å; T80-K82 VanDerWaalsContact O-N 3.15Å; K82-S84 PolarHBondContact O-N 2.91Å |
| 83 | P | 46.2 | Very low | 49.8 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | | | trans | -70.7 | 113.5 | 165.4 | 28.1 | -28.8 | 0 | 0 | 0 | 107.9 | Q85 | P83-Q85 PolarHBondContact O-N 3.13Š|
| 84 | S | 45.7 | Very low | 49.8 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | | | trans | -77.3 | 109.2 | 165.3 | -48.1 | 0 | 0 | 0 | 0 | 107.9 | K82 | K82-S84 PolarHBondContact O-N 2.91Š|
| 85 | Q | 43.3 | Very low | 49.9 | Very low | 268 Ų | 268 | 153.5 Ų | 153.5 | 100% | 1.252 | 84% | 0.84 | S | S | * | * | | | trans | -140.7 | 0 | 158.4 | -133.4 | -173 | 5.8 | 0 | 0 | 109.5 | P83 | P83-Q85 PolarHBondContact O-N 3.13Š|