| 1 | Q | 57.6 | Low | 60.5 | Low | 209 Ų | 209 | 168.7 Ų | 168.7 | 98% | 0.977 | 83% | 0.827 | S | S | * | * | | | | 0 | 110.7 | 0 | 178.4 | 162.3 | 16.6 | 0 | 0 | 107 | F3 | Q1-F3 HydrophobicContact CG-CD2 4.02Å; Q1-F3 HydrophobicContact CG-CE2 3.58Å; Q1-F3 HydrophobicContact CG-CZ 4.33Å |
| 2 | E | 48.5 | Very low | 60.9 | Low | 201 Ų | 201 | 165 Ų | 165 | 94% | 0.939 | 81% | 0.806 | S | S | * | * | | | trans | -146.3 | 114.1 | 165.7 | -121.8 | 171.3 | 177.9 | 0 | 0 | 107.2 | | |
| 3 | F | 58.3 | Low | 61 | Low | 160 Ų | 160 | 163.9 Ų | 163.9 | 70% | 0.702 | 81% | 0.805 | S | S | * | * | | | trans | -82 | 135.6 | -179.8 | -65.1 | -100.8 | 0 | 0 | 0 | 108.7 | Q1 | Q1-F3 HydrophobicContact CG-CD2 4.02Å; Q1-F3 HydrophobicContact CG-CE2 3.58Å; Q1-F3 HydrophobicContact CG-CZ 4.33Å |
| 4 | L | 66.9 | Low | 61.3 | Low | 184 Ų | 184 | 160.9 Ų | 160.9 | 96% | 0.963 | 80% | 0.801 | S | S | * | * | | | trans | -149.6 | 123.4 | 142.7 | -73.6 | -175.3 | 0 | 0 | 0 | 110.2 | | |
| 5 | S | 63.8 | Low | 61.5 | Low | 109 Ų | 109 | 160.9 Ų | 160.9 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | | | trans | -107.7 | 155.9 | -178.3 | -163.8 | 0 | 0 | 0 | 0 | 109.6 | | |
| 6 | K | 64.2 | Low | 61.7 | Low | 197 Ų | 197 | 162.1 Ų | 162.1 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | | | trans | 84.4 | 135.2 | 168.3 | -53.8 | -172.9 | -177.9 | -174.8 | 0 | 115.2 | | |
| 7 | S | 64.6 | Low | 61.7 | Low | 99 Ų | 99 | 164.4 Ų | 164.4 | 69% | 0.692 | 81% | 0.81 | S | S | * | * | | | | -150.8 | 137.4 | 62.1 | 48.4 | 0 | 0 | 0 | 0 | 114.3 | | |
| 8 | H | 61.3 | Low | 61.5 | Low | 195 Ų | 195 | 161.8 Ų | 161.8 | 90% | 0.903 | 81% | 0.811 | S | S | * | * | | | trans | -84.3 | 123.5 | 157.9 | -75.7 | -54.5 | 0 | 0 | 0 | 108.3 | | |
| 9 | L | 64.7 | Low | 61.7 | Low | 153 Ų | 153 | 158.9 Ų | 158.9 | 80% | 0.801 | 81% | 0.808 | S | S | * | * | | | trans | -138.9 | 92.9 | 166.6 | -74 | 166.4 | 0 | 0 | 0 | 105.5 | | |
| 10 | Y | 58.3 | Low | 61.9 | Low | 170 Ų | 170 | 156.3 Ų | 156.3 | 67% | 0.667 | 80% | 0.804 | S | S | * | * | | | | 60.7 | 97.7 | 91.2 | -161.3 | -79.9 | 0 | 0 | 0 | 113.3 | H12 | Y10-H12 AromaticContact CD1-CD2 3.92Å; Y10-H12 AromaticContact CD2-CD2 3.19Å; Y10-H12 WeakPolarHBondContact CD2-CD2 3.37Å; Y10-H12 AromaticContact CD2-NE2 3.4Å; Y10-H12 WeakPolarHBondContact CD2-NE2 3.19Å; Y10-H12 HydrophobicContact CE1-CB 3.79Å; Y10-H12 AromaticContact CE1-CD2 3.59Å; Y10-H12 AromaticContact CE1-CG 3.88Å; Y10-H12 HydrophobicContact CE2-CB 4.36Å; Y10-H12 AromaticContact CE2-CD2 2.83Å; Y10-H12 WeakPolarHBondContact CE2-CD2 3.46Å; Y10-H12 AromaticContact CE2-CE1 3.79Å; Y10-H12 AromaticContact CE2-CG 3.56Å; Y10-H12 AromaticContact CE2-NE2 3.01Å; Y10-H12 WeakPolarHBondContact CE2-NE2 2.93Å; Y10-H12 AromaticContact CG-CD2 3.74Å; Y10-H12 AromaticContact CZ-CD2 3.02Å; Y10-H12 AromaticContact CZ-CG 3.29Å; Y10-H12 AromaticContact CZ-NE2 3.66Å; Y10-H12 WeakPolarHBondContact OH-CB 3.43Å; Y10-H12 PolarHBondContact OH-CD2 3.05Å; Y10-H12 VanDerWaalsContact OH-CG 3.23Å |
| 11 | E | 57.6 | Low | 62.1 | Low | 179 Ų | 179 | 155.8 Ų | 155.8 | 84% | 0.836 | 80% | 0.803 | S | S | * | * | | | trans | -131.8 | 98.6 | 143.6 | -95.4 | -174.4 | 176.4 | 0 | 0 | 108 | L13 | E11-L13 PolarHBondContact O-N 3.14Š|
| 12 | H | 64.8 | Low | 62.4 | Low | 124 Ų | 124 | 153 Ų | 153 | 57% | 0.574 | 79% | 0.794 | S | S | * | * | | | trans | -80 | 102 | 164.1 | -75.3 | -125.4 | 0 | 0 | 0 | 107.1 | Y10 T14 | Y10-H12 AromaticContact CD1-CD2 3.92Å; Y10-H12 AromaticContact CD2-CD2 3.19Å; Y10-H12 WeakPolarHBondContact CD2-CD2 3.37Å; Y10-H12 AromaticContact CD2-NE2 3.4Å; Y10-H12 WeakPolarHBondContact CD2-NE2 3.19Å; Y10-H12 HydrophobicContact CE1-CB 3.79Å; Y10-H12 AromaticContact CE1-CD2 3.59Å; Y10-H12 AromaticContact CE1-CG 3.88Å; Y10-H12 HydrophobicContact CE2-CB 4.36Å; Y10-H12 AromaticContact CE2-CD2 2.83Å; Y10-H12 WeakPolarHBondContact CE2-CD2 3.46Å; Y10-H12 AromaticContact CE2-CE1 3.79Å; Y10-H12 AromaticContact CE2-CG 3.56Å; Y10-H12 AromaticContact CE2-NE2 3.01Å; Y10-H12 WeakPolarHBondContact CE2-NE2 2.93Å; Y10-H12 AromaticContact CG-CD2 3.74Å; Y10-H12 AromaticContact CZ-CD2 3.02Å; Y10-H12 AromaticContact CZ-CG 3.29Å; Y10-H12 AromaticContact CZ-NE2 3.66Å; Y10-H12 WeakPolarHBondContact OH-CB 3.43Å; Y10-H12 PolarHBondContact OH-CD2 3.05Å; Y10-H12 VanDerWaalsContact OH-CG 3.23Å; H12-T14 VanDerWaalsContact C-N 3.31Å; H12-T14 PolarHBondContact O-N 2.93Å |
| 13 | L | 62.2 | Low | 63.2 | Low | 151 Ų | 151 | 148.3 Ų | 148.3 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | | | trans | -73.7 | 92.8 | 168.5 | -139.6 | 91.7 | 0 | 0 | 0 | 108.4 | E11 L15 | E11-L13 PolarHBondContact O-N 3.14Å; L13-L15 PolarHBondContact O-N 2.87Å; L13-L15 VanDerWaalsContact O-N 3.11Å |
| 14 | T | 65 | Low | 63.3 | Low | 122 Ų | 122 | 146.1 Ų | 146.1 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | | | trans | -70 | 93 | 165.3 | 44.4 | 0 | 0 | 0 | 0 | 108.4 | H12 E16 | H12-T14 VanDerWaalsContact C-N 3.31Å; H12-T14 PolarHBondContact O-N 2.93Å; T14-E16 PolarHBondContact O-N 2.9Å |
| 15 | L | 65.4 | Low | 63.2 | Low | 161 Ų | 161 | 142.3 Ų | 142.3 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | | | trans | -80.6 | 99.8 | 165.5 | -162.9 | 73.5 | 0 | 0 | 0 | 108 | L13 | L13-L15 PolarHBondContact O-N 2.87Å; L13-L15 VanDerWaalsContact O-N 3.11Å |
| 16 | E | 64.4 | Low | 63.1 | Low | 179 Ų | 179 | 141.1 Ų | 141.1 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | | | trans | -55.3 | 151.7 | 175.3 | -67.8 | -160.6 | 133.1 | 0 | 0 | 112.5 | T14 | T14-E16 PolarHBondContact O-N 2.9Š|
| 17 | K | 61.3 | Low | 63.2 | Low | 201 Ų | 201 | 137.5 Ų | 137.5 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | | | trans | -66.4 | 152.7 | -169.6 | -70.5 | 169.1 | 150.7 | 178.3 | 0 | 113.8 | | |
| 18 | S | 58.9 | Low | 63.2 | Low | 119 Ų | 119 | 137.7 Ų | 137.7 | 83% | 0.832 | 77% | 0.768 | S | S | * | * | | | trans | 82.6 | 105.3 | 141.3 | -118.2 | 0 | 0 | 0 | 0 | 117.9 | | |
| 19 | S | 64 | Low | 63.3 | Low | 107 Ų | 107 | 136.8 Ų | 136.8 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | -106.8 | 109.4 | 155.1 | 175.6 | 0 | 0 | 0 | 0 | 108.1 | N21 | S19-N21 PolarHBondContact OG-ND2 2.65Š|
| 20 | S | 66.4 | Low | 63.1 | Low | 105 Ų | 105 | 139.1 Ų | 139.1 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | trans | -78.8 | 121.6 | 172.3 | 54.9 | 0 | 0 | 0 | 0 | 109.6 | | |
| 21 | N | 66 | Low | 63.5 | Low | 146 Ų | 146 | 139.9 Ų | 139.9 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | | | trans | -127.4 | 99.9 | 161.5 | -72.7 | -59.4 | 0 | 0 | 0 | 109.8 | S19 | S19-N21 PolarHBondContact OG-ND2 2.65Š|
| 22 | L | 62.8 | Low | 63.7 | Low | 150 Ų | 150 | 137.3 Ų | 137.3 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | | | trans | 1.4 | 120.8 | 148.4 | -165.7 | 65.4 | 0 | 0 | 0 | 115.5 | V24 | L22-V24 HydrophobicContact CD2-CG2 4.28Å; L22-V24 HydrophobicContact CG-CG2 4.21Å; L22-V24 PolarHBondContact O-N 2.68Å |
| 23 | A | 66.6 | Low | 63.6 | Low | 103 Ų | 103 | 136.5 Ų | 136.5 | 85% | 0.851 | 78% | 0.775 | S | S | * | * | | | trans | -59.5 | 118.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110 | | |
| 24 | V | 60.5 | Low | 63.8 | Low | 114 Ų | 114 | 133.3 Ų | 133.3 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | | | trans | -131.4 | 116 | 169.9 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | L22 | L22-V24 HydrophobicContact CD2-CG2 4.28Å; L22-V24 HydrophobicContact CG-CG2 4.21Å; L22-V24 PolarHBondContact O-N 2.68Å |
| 25 | S | 63.8 | Low | 63.7 | Low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | | | trans | 47.3 | 107.1 | 162.2 | 69.6 | 0 | 0 | 0 | 0 | 118.5 | H27 | S25-H27 PolarHBondContact O-N 2.74Å; S25-H27 VanDerWaalsContact O-N 3.07Å |
| 26 | G | 62 | Low | 63.4 | Low | 84 Ų | 84 | 137 Ų | 137 | 87% | 0.866 | 77% | 0.774 | S | S | * | * | | | trans | -60.6 | 105 | 156.3 | 0 | 0 | 0 | 0 | 0 | 111 | | |
| 27 | H | 65.6 | Low | 63.4 | Low | 122 Ų | 122 | 134.3 Ų | 134.3 | 57% | 0.565 | 77% | 0.766 | S | S | * | * | | | trans | -155.5 | 107.1 | 145.5 | -160.7 | 70.1 | 0 | 0 | 0 | 108.7 | S25 F29 | S25-H27 PolarHBondContact O-N 2.74Å; S25-H27 VanDerWaalsContact O-N 3.07Å; H27-F29 VanDerWaalsContact C-N 3.32Å; H27-F29 HydrophobicContact CB-CD2 4.4Å; H27-F29 HydrophobicContact CB-CE2 4.19Å; H27-F29 AromaticContact CD2-CD1 3.6Å; H27-F29 AromaticContact CD2-CD2 3.74Å; H27-F29 AromaticContact CD2-CE1 3.64Å; H27-F29 AromaticContact CD2-CE2 3.77Å; H27-F29 AromaticContact CD2-CG 3.65Å; H27-F29 AromaticContact CD2-CZ 3.73Å; H27-F29 PolarHBondContact O-N 3.07Å |
| 28 | P | 66.6 | Low | 63.4 | Low | 103 Ų | 103 | 132.8 Ų | 132.8 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | | | trans | -67.1 | 101.3 | 159.2 | 26.1 | -27.7 | 0 | 0 | 0 | 107.3 | Y30 | P28-Y30 HydrophobicContact CB-CD2 4.05Å; P28-Y30 PolarHBondContact O-N 2.71Å |
| 29 | F | 62.9 | Low | 63.4 | Low | 176 Ų | 176 | 135.5 Ų | 135.5 | 77% | 0.772 | 76% | 0.759 | S | S | * | * | | | trans | -67.8 | 79.3 | 159.8 | -73.8 | -81.7 | 0 | 0 | 0 | 108.4 | H27 | H27-F29 VanDerWaalsContact C-N 3.32Å; H27-F29 HydrophobicContact CB-CD2 4.4Å; H27-F29 HydrophobicContact CB-CE2 4.19Å; H27-F29 AromaticContact CD2-CD1 3.6Å; H27-F29 AromaticContact CD2-CD2 3.74Å; H27-F29 AromaticContact CD2-CE1 3.64Å; H27-F29 AromaticContact CD2-CE2 3.77Å; H27-F29 AromaticContact CD2-CG 3.65Å; H27-F29 AromaticContact CD2-CZ 3.73Å; H27-F29 PolarHBondContact O-N 3.07Å |
| 30 | Y | 60.4 | Low | 63 | Low | 202 Ų | 202 | 137.8 Ų | 137.8 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | | | trans | -115 | 97.6 | 157.2 | -71.3 | -73.2 | 0 | 0 | 0 | 107.5 | P28 V32 | P28-Y30 HydrophobicContact CB-CD2 4.05Å; P28-Y30 PolarHBondContact O-N 2.71Å; Y30-V32 PolarHBondContact O-N 2.88Å |
| 31 | Q | 67.1 | Low | 62.9 | Low | 186 Ų | 186 | 143.2 Ų | 143.2 | 87% | 0.869 | 76% | 0.764 | S | S | * | * | | | trans | -44.8 | 113.7 | 159.5 | -176.9 | 168.1 | 8.5 | 0 | 0 | 107.5 | S33 | Q31-S33 VanDerWaalsContact C-N 3.34Å; Q31-S33 PolarHBondContact O-N 2.98Å |
| 32 | V | 60 | Low | 62.7 | Low | 125 Ų | 125 | 143.2 Ų | 143.2 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | | | trans | -59.8 | 103.6 | 171 | 176.4 | 0 | 0 | 0 | 0 | 105.6 | Y30 A34 | Y30-V32 PolarHBondContact O-N 2.88Å; V32-A34 VanDerWaalsContact C-N 3.33Å; V32-A34 PolarHBondContact O-N 2.71Å |
| 33 | S | 64.3 | Low | 62.6 | Low | 106 Ų | 106 | 143.8 Ų | 143.8 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | | | trans | -58.2 | 108.6 | 161.3 | 21.5 | 0 | 0 | 0 | 0 | 105.1 | Q31 T35 | Q31-S33 VanDerWaalsContact C-N 3.34Å; Q31-S33 PolarHBondContact O-N 2.98Å; S33-T35 PolarHBondContact O-N 2.66Å; S33-T35 VanDerWaalsContact O-N 3.14Å |
| 34 | A | 66.1 | Low | 62.3 | Low | 85 Ų | 85 | 144.6 Ų | 144.6 | 70% | 0.702 | 75% | 0.751 | S | S | * | * | | | trans | -45.1 | 127.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | V32 R36 | V32-A34 VanDerWaalsContact C-N 3.33Å; V32-A34 PolarHBondContact O-N 2.71Å; A34-R36 PolarHBondContact O-N 2.91Å |
| 35 | T | 62.3 | Low | 62.4 | Low | 133 Ų | 133 | 144 Ų | 144 | 82% | 0.816 | 75% | 0.747 | S | S | * | * | | | trans | -53.2 | 89.9 | -178.4 | -38.1 | 0 | 0 | 0 | 0 | 108.4 | S33 N37 | S33-T35 PolarHBondContact O-N 2.66Å; S33-T35 VanDerWaalsContact O-N 3.14Å; T35-N37 PolarHBondContact O-N 2.81Å |
| 36 | R | 59.9 | Low | 62.4 | Low | 226 Ų | 226 | 144.9 Ų | 144.9 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | | | trans | -68.7 | 103.3 | 164.4 | -168.4 | 177.4 | -175.9 | 174.6 | 1.9 | 102.6 | A34 E38 | A34-R36 PolarHBondContact O-N 2.91Å; R36-E38 PolarHBondContact O-N 3Å |
| 37 | N | 63.8 | Low | 62.8 | Low | 123 Ų | 123 | 144.3 Ų | 144.3 | 66% | 0.658 | 74% | 0.743 | S | S | * | * | | | trans | -42.6 | 85 | 166.9 | 55.1 | 0.7 | 0 | 0 | 0 | 109.8 | T35 K39 | T35-N37 PolarHBondContact O-N 2.81Å; N37-K39 PolarHBondContact O-N 2.65Å |
| 38 | E | 60.7 | Low | 63.2 | Low | 169 Ų | 169 | 148.7 Ų | 148.7 | 79% | 0.79 | 76% | 0.755 | S | S | * | * | | | trans | -67.1 | 85.1 | 161.7 | -158.5 | 174.1 | -160.9 | 0 | 0 | 103.2 | R36 M40 | R36-E38 PolarHBondContact O-N 3Å; E38-M40 PolarHBondContact O-N 3.2Å |
| 39 | K | 59.5 | Low | 63.8 | Low | 177 Ų | 177 | 149.9 Ų | 149.9 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | | | trans | -48.7 | 99.7 | 156.4 | -83.1 | -178.9 | 171.1 | -178.9 | 0 | 102.4 | N37 R41 | N37-K39 PolarHBondContact O-N 2.65Å; K39-R41 VanDerWaalsContact C-N 3.29Å; K39-R41 WeakPolarHBondContact O-CA 3.42Å; K39-R41 PolarHBondContact O-N 2.88Å |
| 40 | M | 56.4 | Low | 64.8 | Low | 154 Ų | 154 | 147 Ų | 147 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | | | trans | -43 | 105.2 | 179.4 | -173.8 | 155.3 | 86.7 | 0 | 0 | 103.9 | E38 H42 | E38-M40 PolarHBondContact O-N 3.2Å; M40-H42 PolarHBondContact O-N 3.44Å |
| 41 | R | 62.9 | Low | 66 | Low | 219 Ų | 219 | 147.3 Ų | 147.3 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | | | trans | -63 | 101.8 | -173.2 | -65 | -160.5 | -65.1 | -175.6 | -1.3 | 102.3 | K39 L43 | K39-R41 VanDerWaalsContact C-N 3.29Å; K39-R41 WeakPolarHBondContact O-CA 3.42Å; K39-R41 PolarHBondContact O-N 2.88Å; R41-L43 PolarHBondContact O-N 3.22Å |
| 42 | H | 63.2 | Low | 67 | Low | 146 Ų | 146 | 143.5 Ų | 143.5 | 68% | 0.676 | 75% | 0.754 | S | S | * | * | | | trans | -50.2 | 120.7 | 177.1 | -67.1 | -69.9 | 0 | 0 | 0 | 102.9 | M40 I44 | M40-H42 PolarHBondContact O-N 3.44Å; H42-I44 HydrophobicContact CB-CD1 3.85Å; H42-I44 HydrophobicContact CB-CG1 3.36Å; H42-I44 WeakPolarHBondContact O-CG1 3.01Å; H42-I44 PolarHBondContact O-N 3.19Å |
| 43 | L | 59.7 | Low | 68.6 | Low | 162 Ų | 162 | 145.8 Ų | 145.8 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | | | trans | -69.3 | 69.4 | 173.8 | -166.1 | 78.7 | 0 | 0 | 0 | 104.9 | R41 T45 | R41-L43 PolarHBondContact O-N 3.22Å; L43-T45 PolarHBondContact O-N 3.36Å |
| 44 | I | 60.7 | Low | 69.8 | Low | 120 Ų | 120 | 145.2 Ų | 145.2 | 62% | 0.615 | 75% | 0.746 | S | S | * | * | | | trans | -83.4 | 80.2 | 175.1 | -27.6 | -177.6 | 0 | 0 | 0 | 103.4 | H42 T46 | H42-I44 HydrophobicContact CB-CD1 3.85Å; H42-I44 HydrophobicContact CB-CG1 3.36Å; H42-I44 WeakPolarHBondContact O-CG1 3.01Å; H42-I44 PolarHBondContact O-N 3.19Å; I44-T46 WeakPolarHBondContact CB-OG1 2.83Å; I44-T46 WeakPolarHBondContact CG2-OG1 3.4Å; I44-T46 PolarHBondContact O-N 3.22Å |
| 45 | T | 62 | Low | 71 | Confident | 101 Ų | 101 | 145.1 Ų | 145.1 | 62% | 0.62 | 74% | 0.738 | S | S | * | * | | | trans | -62.4 | 72.3 | 145.6 | 37.3 | 0 | 0 | 0 | 0 | 106.8 | L43 G47 | L43-T45 PolarHBondContact O-N 3.36Å; T45-G47 PolarHBondContact O-N 3.41Å |
| 46 | T | 64.1 | Low | 72.3 | Confident | 123 Ų | 123 | 144.3 Ų | 144.3 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.1 | 86.7 | 171.6 | -49.1 | 0 | 0 | 0 | 0 | 106.5 | I44 | I44-T46 WeakPolarHBondContact CB-OG1 2.83Å; I44-T46 WeakPolarHBondContact CG2-OG1 3.4Å; I44-T46 PolarHBondContact O-N 3.22Å |
| 47 | G | 69.8 | Low | 73.6 | Confident | 73 Ų | 73 | 141.5 Ų | 141.5 | 75% | 0.753 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 157.4 | -17.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 117 | T45 | T45-G47 PolarHBondContact O-N 3.41Š|
| 48 | R | 74.7 | Confident | 74.6 | Confident | 214 Ų | 214 | 145.1 Ų | 145.1 | 81% | 0.808 | 74% | 0.739 | S | S | * | * | | | trans | -114.8 | 118.7 | 173.4 | -98 | 177.9 | 79.8 | 179.5 | 4.1 | 111 | T50 | R48-T50 PolarHBondContact O-N 3.12Š|
| 49 | P | 79.4 | Confident | 75.7 | Confident | 127 Ų | 127 | 143 Ų | 143 | 83% | 0.825 | 74% | 0.738 | S | S | * | * | | | trans | -55.8 | 122.8 | 166.5 | -22.9 | 33.1 | 0 | 0 | 0 | 109.8 | K51 | P49-K51 PolarHBondContact O-N 2.95Š|
| 50 | T | 83.1 | Confident | 76.7 | Confident | 117 Ų | 117 | 144 Ų | 144 | 72% | 0.718 | 74% | 0.742 | S | S | * | * | | | trans | -72.2 | 111.4 | 176.3 | -57.6 | 0 | 0 | 0 | 0 | 108.8 | R48 V52 | R48-T50 PolarHBondContact O-N 3.12Å; T50-V52 HydrophobicContact CG2-CG1 4.11Å; T50-V52 PolarHBondContact O-N 3.08Å |
| 51 | K | 87.1 | Confident | 77.7 | Confident | 208 Ų | 208 | 142.3 Ų | 142.3 | 90% | 0.904 | 75% | 0.746 | S | S | * | * | | | trans | -75.5 | 115.4 | 171.5 | -177.5 | 177 | 169.4 | -177.3 | 0 | 108.5 | P49 | P49-K51 PolarHBondContact O-N 2.95Š|
| 52 | V | 87.8 | Confident | 78.2 | Confident | 106 Ų | 106 | 139.5 Ų | 139.5 | 64% | 0.642 | 74% | 0.741 | S | S | * | * | | | trans | -103.3 | 141.2 | 173.9 | -62.4 | 0 | 0 | 0 | 0 | 109.9 | T50 V54 | T50-V52 HydrophobicContact CG2-CG1 4.11Å; T50-V52 PolarHBondContact O-N 3.08Å; V52-V54 HydrophobicContact CG2-CG2 4.46Å |
| 53 | F | 92.6 | Very high | 78.6 | Confident | 172 Ų | 172 | 142.7 Ų | 142.7 | 75% | 0.754 | 75% | 0.754 | S | S | * | * | | | trans | -83.3 | 128.5 | 170.8 | 175.8 | -102.2 | 0 | 0 | 0 | 109 | P55 | F53-P55 HydrophobicContact CD1-CG 4.31Å; F53-P55 HydrophobicContact CE1-CB 4.23Å; F53-P55 HydrophobicContact CE1-CG 3.98Å |
| 54 | V | 89.8 | Confident | 79 | Confident | 95 Ų | 95 | 141.7 Ų | 141.7 | 58% | 0.576 | 75% | 0.745 | S | S | * | * | | | trans | -110.3 | 117.2 | 173.8 | -178 | 0 | 0 | 0 | 0 | 107.8 | V52 F57 | V52-V54 HydrophobicContact CG2-CG2 4.46Å; V54-F57 HydrophobicContact CG1-CE1 4.23Å |
| 55 | P | 92.3 | Very high | 79.1 | Confident | 83 Ų | 83 | 145.1 Ų | 145.1 | 54% | 0.539 | 75% | 0.75 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 145.5 | 176.5 | -21.1 | 31.7 | 0 | 0 | 0 | 111.4 | F53 F57 | F53-P55 HydrophobicContact CD1-CG 4.31Å; F53-P55 HydrophobicContact CE1-CB 4.23Å; F53-P55 HydrophobicContact CE1-CG 3.98Å; P55-F57 PolarHBondContact O-N 3.2Å |
| 56 | P | 89.2 | Confident | 79.2 | Confident | 115 Ų | 115 | 146.2 Ų | 146.2 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 124.8 | 177.8 | 27.3 | -33.5 | 0 | 0 | 0 | 110.5 | | |
| 57 | F | 86.8 | Confident | 79.2 | Confident | 168 Ų | 168 | 147.1 Ų | 147.1 | 74% | 0.737 | 75% | 0.752 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 137.1 | 169.7 | 30.4 | -91.5 | 0 | 0 | 0 | 110.2 | V54 P55 | V54-F57 HydrophobicContact CG1-CE1 4.23Å; P55-F57 PolarHBondContact O-N 3.2Å |
| 58 | K | 85.1 | Confident | 78.6 | Confident | 199 Ų | 199 | 151.1 Ų | 151.1 | 87% | 0.865 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 121.1 | 173.7 | -61.4 | -65.7 | -177 | 179.1 | 0 | 108.9 | | |
| 59 | T | 82.7 | Confident | 77.8 | Confident | 124 Ų | 124 | 147.3 Ų | 147.3 | 76% | 0.761 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 140.2 | 170.8 | -40.7 | 0 | 0 | 0 | 0 | 109.4 | S61 | T59-S61 PolarHBondContact O-N 2.97Å; T59-S61 VanDerWaalsContact O-N 3.12Å |
| 60 | K | 81.4 | Confident | 76.6 | Confident | 198 Ų | 198 | 146.1 Ų | 146.1 | 86% | 0.861 | 75% | 0.746 | S | S | * | * | | | trans | -67.8 | 108.4 | 171.4 | -64.9 | -73.3 | -175.3 | 175.4 | 0 | 108.3 | H62 | K60-H62 PolarHBondContact O-N 3.11Š|
| 61 | S | 76.8 | Confident | 75.1 | Confident | 119 Ų | 119 | 150.5 Ų | 150.5 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | | | trans | -87.2 | 93.2 | 168.4 | 61.4 | 0 | 0 | 0 | 0 | 108.5 | T59 | T59-S61 PolarHBondContact O-N 2.97Å; T59-S61 VanDerWaalsContact O-N 3.12Å |
| 62 | H | 73.8 | Confident | 73.4 | Confident | 159 Ų | 159 | 146.9 Ų | 146.9 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | | | trans | -100.7 | 96.5 | 163.1 | -171.6 | 30.1 | 0 | 0 | 0 | 108.9 | K60 | K60-H62 PolarHBondContact O-N 3.11Š|
| 63 | F | 71.6 | Confident | 71.7 | Confident | 213 Ų | 213 | 149.7 Ų | 149.7 | 93% | 0.934 | 75% | 0.749 | S | S | * | * | | | trans | -129.2 | 99.8 | 158.1 | -107.7 | -88.1 | 0 | 0 | 0 | 108 | | |
| 64 | H | 69.1 | Low | 70 | Confident | 142 Ų | 142 | 148.7 Ų | 148.7 | 66% | 0.657 | 75% | 0.752 | S | S | * | * | | | trans | -127.3 | 94.2 | 162.8 | -173.8 | 14.4 | 0 | 0 | 0 | 108.5 | V66 | H64-V66 PolarHBondContact ND1-N 2.96Š|
| 65 | R | 62.1 | Low | 68.2 | Low | 192 Ų | 192 | 152.1 Ų | 152.1 | 73% | 0.725 | 77% | 0.766 | S | S | * | * | | | trans | -136.1 | 82.8 | 145 | -71.3 | -167.9 | -176.4 | -121.5 | 3.7 | 107 | E67 | R65-E67 IonicContact CZ-OE1 3.75Å; R65-E67 IonicContact NH1-OE1 3.57Å; R65-E67 PolarHBondContact NH1-OE1 2.87Å; R65-E67 IonicContact NH1-OE2 3.73Å; R65-E67 PolarHBondContact NH1-OE2 3.29Å; R65-E67 PolarHBondContact O-N 3.24Å |
| 66 | V | 63.7 | Low | 66.3 | Low | 124 Ų | 124 | 156 Ų | 156 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | -88.4 | 70.6 | 151.2 | -177 | 0 | 0 | 0 | 0 | 103.6 | H64 Q68 | H64-V66 PolarHBondContact ND1-N 2.96Å; V66-Q68 PolarHBondContact O-N 3.03Å |
| 67 | E | 63.5 | Low | 64.3 | Low | 141 Ų | 141 | 156.8 Ų | 156.8 | 66% | 0.659 | 77% | 0.771 | S | S | * | * | | | trans | -71.9 | 93 | 163 | -91 | 157.1 | -178.5 | 0 | 0 | 105.2 | R65 C69 | R65-E67 IonicContact CZ-OE1 3.75Å; R65-E67 IonicContact NH1-OE1 3.57Å; R65-E67 PolarHBondContact NH1-OE1 2.87Å; R65-E67 IonicContact NH1-OE2 3.73Å; R65-E67 PolarHBondContact NH1-OE2 3.29Å; R65-E67 PolarHBondContact O-N 3.24Å; E67-C69 PolarHBondContact O-N 3.36Å |
| 68 | Q | 58.8 | Low | 62.6 | Low | 157 Ų | 157 | 153.9 Ų | 153.9 | 73% | 0.734 | 76% | 0.763 | S | S | * | * | | | trans | -24 | 115.3 | 164.2 | -154.2 | 177.2 | -7.6 | 0 | 0 | 111 | V66 V70 | V66-Q68 PolarHBondContact O-N 3.03Å; Q68-V70 HydrophobicContact CB-CG2 4Å; Q68-V70 HydrophobicContact CG-CG2 3.55Å; Q68-V70 PolarHBondContact O-N 3.22Å |
| 69 | C | 58.1 | Low | 61 | Low | 135 Ų | 135 | 153.7 Ų | 153.7 | 91% | 0.912 | 76% | 0.757 | S | S | * | * | | | trans | -63.6 | 83.3 | 165.9 | -179.6 | 0 | 0 | 0 | 0 | 108.1 | E67 | E67-C69 PolarHBondContact O-N 3.36Š|
| 70 | V | 52.9 | Low | 59.6 | Low | 102 Ų | 102 | 154 Ų | 154 | 62% | 0.618 | 75% | 0.75 | S | S | * | * | | | trans | -100.9 | 91.7 | 169.2 | -176.6 | 0 | 0 | 0 | 0 | 107.4 | Q68 | Q68-V70 HydrophobicContact CB-CG2 4Å; Q68-V70 HydrophobicContact CG-CG2 3.55Å; Q68-V70 PolarHBondContact O-N 3.22Å |
| 71 | R | 51.9 | Low | 58.3 | Low | 209 Ų | 209 | 153.2 Ų | 153.2 | 79% | 0.789 | 75% | 0.746 | S | S | * | * | | | trans | 51.7 | 105.9 | 130.5 | -158.6 | 178.5 | -140.3 | -159 | 4.1 | 117.7 | | |
| 72 | N | 52.1 | Low | 57 | Low | 132 Ų | 132 | 154.9 Ų | 154.9 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | | | trans | 62.8 | 110.7 | 144.5 | -69.9 | -27.1 | 0 | 0 | 0 | 119.5 | | |
| 73 | I | 51.2 | Low | 55.8 | Low | 165 Ų | 165 | 154.2 Ų | 154.2 | 85% | 0.846 | 74% | 0.743 | S | S | * | * | | | | -146.8 | 98 | 129.5 | 17.1 | 174.1 | 0 | 0 | 0 | 108.8 | L75 | I73-L75 PolarHBondContact O-N 3.47Š|
| 74 | N | 57.1 | Low | 54.8 | Low | 150 Ų | 150 | 152.2 Ų | 152.2 | 80% | 0.802 | 74% | 0.74 | S | S | * | * | | | trans | 15.5 | 97.1 | 151.9 | -51.1 | -40.7 | 0 | 0 | 0 | 116.6 | | |
| 75 | L | 51.6 | Low | 53.6 | Low | 168 Ų | 168 | 153.2 Ų | 153.2 | 88% | 0.88 | 75% | 0.75 | S | S | * | * | | | trans | -112 | 81.7 | 150.3 | -167.9 | 72.1 | 0 | 0 | 0 | 106.6 | I73 E77 | I73-L75 PolarHBondContact O-N 3.47Å; L75-E77 PolarHBondContact O-N 3Å; L75-E77 VanDerWaalsContact O-N 3.08Å |
| 76 | E | 53.3 | Low | 52.6 | Low | 164 Ų | 164 | 146.3 Ų | 146.3 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | | | trans | -53.9 | 113.7 | 156.9 | -177 | -146.4 | 175.2 | 0 | 0 | 105.9 | N78 | E76-N78 PolarHBondContact O-N 2.95Š|
| 77 | E | 46.6 | Very low | 51.5 | Low | 131 Ų | 131 | 150.1 Ų | 150.1 | 61% | 0.612 | 75% | 0.748 | S | S | * | * | | | trans | -63.3 | 89.8 | 170.6 | -166.9 | -171.8 | 169.4 | 0 | 0 | 106.8 | L75 R79 | L75-E77 PolarHBondContact O-N 3Å; L75-E77 VanDerWaalsContact O-N 3.08Å; E77-R79 PolarHBondContact O-N 3.07Å; E77-R79 IonicContact OE1-CZ 3.36Å; E77-R79 IonicContact OE1-NE 2.78Å; E77-R79 PolarHBondContact OE1-NE 3.12Å; E77-R79 IonicContact OE1-NH2 3.8Å; E77-R79 PolarHBondContact OE1-NH2 3.37Å |
| 78 | N | 51.1 | Low | 50.3 | Low | 108 Ų | 108 | 146.8 Ų | 146.8 | 58% | 0.578 | 75% | 0.751 | S | S | * | * | | | trans | -58.1 | 109.7 | 169.7 | 81.6 | 52.7 | 0 | 0 | 0 | 106.2 | E76 Q80 | E76-N78 PolarHBondContact O-N 2.95Å; N78-Q80 PolarHBondContact O-N 2.78Å |
| 79 | R | 52.8 | Low | 49.7 | Very low | 195 Ų | 195 | 145 Ų | 145 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | | | trans | -79.1 | 79.1 | 170.2 | -72.5 | -101.1 | 104.2 | 179 | 8.3 | 105.7 | E77 K81 | E77-R79 PolarHBondContact O-N 3.07Å; E77-R79 IonicContact OE1-CZ 3.36Å; E77-R79 IonicContact OE1-NE 2.78Å; E77-R79 PolarHBondContact OE1-NE 3.12Å; E77-R79 IonicContact OE1-NH2 3.8Å; E77-R79 PolarHBondContact OE1-NH2 3.37Å; R79-K81 PolarHBondContact O-N 3.38Å |
| 80 | Q | 51.4 | Low | 49.2 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 61% | 0.607 | 75% | 0.752 | S | S | * | * | | | trans | -61.6 | 84 | 168.5 | -176.1 | 160 | -5 | 0 | 0 | 109.4 | N78 Q82 | N78-Q80 PolarHBondContact O-N 2.78Å; Q80-Q82 VanDerWaalsContact C-N 3.32Å; Q80-Q82 HydrophobicContact CG-CG 3.79Å; Q80-Q82 VanDerWaalsContact NE2-CD 3.33Å; Q80-Q82 PolarHBondContact O-N 3.46Å |
| 81 | K | 55.3 | Low | 49 | Very low | 181 Ų | 181 | 147.4 Ų | 147.4 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | | | trans | -80.7 | 83.9 | 159.1 | -78.8 | -174.1 | 172.6 | -174.2 | 0 | 107.4 | R79 N83 | R79-K81 PolarHBondContact O-N 3.38Å; K81-N83 PolarHBondContact O-N 3.48Å; K81-N83 VanDerWaalsContact O-N 3.15Å |
| 82 | Q | 49.2 | Very low | 49.2 | Very low | 154 Ų | 154 | 143.3 Ų | 143.3 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | | | trans | -72.7 | 100 | 161.5 | -78.8 | -171.2 | -13.7 | 0 | 0 | 108.1 | Q80 | Q80-Q82 VanDerWaalsContact C-N 3.32Å; Q80-Q82 HydrophobicContact CG-CG 3.79Å; Q80-Q82 VanDerWaalsContact NE2-CD 3.33Å; Q80-Q82 PolarHBondContact O-N 3.46Å |
| 83 | N | 47.4 | Very low | 49.2 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 78% | 0.775 | 77% | 0.766 | S | S | * | * | | | trans | -85.6 | 125.7 | 157.6 | -69.2 | -70.6 | 0 | 0 | 0 | 107.1 | K81 D85 | K81-N83 PolarHBondContact O-N 3.48Å; K81-N83 VanDerWaalsContact O-N 3.15Å; N83-D85 PolarHBondContact O-N 3.15Å |
| 84 | I | 51.4 | Low | 48.9 | Very low | 172 Ų | 172 | 144.8 Ų | 144.8 | 88% | 0.882 | 76% | 0.761 | S | S | * | * | | | trans | -68.1 | 119.9 | 178.4 | -57.6 | 152.9 | 0 | 0 | 0 | 107.7 | | |
| 85 | D | 44.5 | Very low | 48.7 | Very low | 162 Ų | 162 | 146 Ų | 146 | 87% | 0.866 | 76% | 0.759 | S | S | * | * | | | trans | -165.2 | 128.9 | 145.5 | -160.2 | 14.4 | 0 | 0 | 0 | 112.2 | N83 | N83-D85 PolarHBondContact O-N 3.15Š|
| 86 | G | 40.5 | Very low | 48.7 | Very low | 47 Ų | 47 | 144.7 Ų | 144.7 | 49% | 0.485 | 75% | 0.751 | S | S | . | * | | | trans | 71.8 | 104.9 | 149 | 0 | 0 | 0 | 0 | 0 | 121.3 | | |
| 87 | H | 41 | Very low | 48.8 | Very low | 204 Ų | 204 | 142.6 Ų | 142.6 | 94% | 0.944 | 75% | 0.745 | S | S | * | * | | | trans | 70.9 | 135.7 | 148 | -53.1 | -77.8 | 0 | 0 | 0 | 117.1 | | |
| 88 | G | 37.9 | Very low | 49.3 | Very low | 71 Ų | 71 | 142.7 Ų | 142.7 | 73% | 0.732 | 75% | 0.75 | S | S | * | * | | | cis | 162 | 161.4 | 7.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | | |
| 89 | S | 46.8 | Very low | 49.6 | Very low | 120 Ų | 120 | 143.4 Ų | 143.4 | 84% | 0.839 | 75% | 0.754 | S | S | * | * | | | trans | 73.2 | 96.4 | 169.9 | -154 | 0 | 0 | 0 | 0 | 116.3 | | |
| 90 | D | 46.8 | Very low | 49.6 | Very low | 154 Ų | 154 | 140.8 Ų | 140.8 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | | | | 81.3 | 131.8 | 74.6 | -153.9 | 22 | 0 | 0 | 0 | 114.2 | | |
| 91 | D | 49.6 | Very low | 50 | Low | 133 Ų | 133 | 141.6 Ų | 141.6 | 71% | 0.711 | 76% | 0.757 | S | S | * | * | | | trans | 69.1 | 96.4 | 165.7 | -135.9 | 6 | 0 | 0 | 0 | 120.7 | | |
| 92 | S | 56.2 | Low | 50.2 | Low | 123 Ų | 123 | 139.3 Ų | 139.3 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | | | trans | -144.8 | 97.3 | 139.1 | 77.2 | 0 | 0 | 0 | 0 | 111.6 | | |
| 93 | K | 52.1 | Low | 50.8 | Low | 191 Ų | 191 | 140.1 Ų | 140.1 | 83% | 0.83 | 75% | 0.753 | S | S | * | * | | | trans | -77.9 | 110 | 169.3 | -137 | 175.4 | -169.4 | 171.2 | 0 | 108.5 | | |
| 94 | N | 45.2 | Very low | 51 | Low | 138 Ų | 138 | 141.3 Ų | 141.3 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | | | trans | -165.7 | 134.5 | 146.8 | -126.5 | -8 | 0 | 0 | 0 | 117 | | |
| 95 | K | 52.7 | Low | 51.1 | Low | 175 Ų | 175 | 138.9 Ų | 138.9 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | | | trans | 67.3 | 94.1 | 152.4 | -55.3 | -61.3 | 170.2 | 171.5 | 0 | 119.6 | | |
| 96 | I | 52 | Low | 51.7 | Low | 140 Ų | 140 | 139.5 Ų | 139.5 | 72% | 0.718 | 74% | 0.735 | S | S | * | * | | | trans | -11.7 | 123.4 | 135.7 | -60.4 | 155.2 | 0 | 0 | 0 | 113.9 | D98 | I96-D98 HydrophobicContact CG2-CB 4.47Å; I96-D98 WeakPolarHBondContact CG2-OD2 3.19Å |
| 97 | N | 54.9 | Low | 52.7 | Low | 121 Ų | 121 | 142.7 Ų | 142.7 | 65% | 0.647 | 74% | 0.741 | S | S | * | * | | | trans | -133.2 | 104.3 | 141.7 | -177.7 | 12.6 | 0 | 0 | 0 | 108.8 | N99 | N97-N99 PolarHBondContact ND2-ND2 2.78Å; N97-N99 PolarHBondContact O-N 3.26Å; N97-N99 PolarHBondContact OD1-OD1 2.75Å |
| 98 | D | 56.8 | Low | 53.4 | Low | 132 Ų | 132 | 140 Ų | 140 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | | | trans | -74.5 | 65.5 | 174.5 | -65.1 | -40.8 | 0 | 0 | 0 | 110.9 | I96 E100 | I96-D98 HydrophobicContact CG2-CB 4.47Å; I96-D98 WeakPolarHBondContact CG2-OD2 3.19Å; D98-E100 PolarHBondContact O-N 3.3Å |
| 99 | N | 57.6 | Low | 54.4 | Low | 123 Ų | 123 | 141.7 Ų | 141.7 | 66% | 0.658 | 73% | 0.734 | S | S | * | * | | | trans | -86.8 | 70.2 | 167.3 | -74.8 | -6.7 | 0 | 0 | 0 | 109.8 | N97 I101 | N97-N99 PolarHBondContact ND2-ND2 2.78Å; N97-N99 PolarHBondContact O-N 3.26Å; N97-N99 PolarHBondContact OD1-OD1 2.75Å; N99-I101 PolarHBondContact O-N 3.23Å |
| 100 | E | 52.3 | Low | 55.1 | Low | 141 Ų | 141 | 143.4 Ų | 143.4 | 66% | 0.659 | 73% | 0.734 | S | S | * | * | | | trans | -27.1 | 101.5 | 164.7 | -164.7 | 169.7 | -157.1 | 0 | 0 | 114.2 | D98 H102 | D98-E100 PolarHBondContact O-N 3.3Å; E100-H102 PolarHBondContact O-N 3.36Å; E100-H102 IonicContact OE1-CE1 2.75Å; E100-H102 PolarHBondContact OE1-CE1 2.96Å; E100-H102 IonicContact OE1-ND1 3.3Å; E100-H102 IonicContact OE1-NE2 3.38Å; E100-H102 IonicContact OE2-CE1 2.96Å; E100-H102 IonicContact OE2-NE2 3.63Å |
| 101 | I | 60.8 | Low | 55.8 | Low | 147 Ų | 147 | 145.8 Ų | 145.8 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | | | trans | -83.8 | 92.5 | 166.2 | -57.5 | 176.1 | 0 | 0 | 0 | 107.2 | N99 Q103 | N99-I101 PolarHBondContact O-N 3.23Å; I101-Q103 VanDerWaalsContact C-N 3.32Å; I101-Q103 HydrophobicContact CG2-CG 4.12Å; I101-Q103 PolarHBondContact O-N 2.81Å |
| 102 | H | 59.7 | Low | 56.2 | Low | 132 Ų | 132 | 144 Ų | 144 | 61% | 0.611 | 74% | 0.743 | S | S | * | * | | | trans | -64.5 | 89.5 | 169.5 | -70.7 | -60.8 | 0 | 0 | 0 | 110.7 | E100 F104 | E100-H102 PolarHBondContact O-N 3.36Å; E100-H102 IonicContact OE1-CE1 2.75Å; E100-H102 PolarHBondContact OE1-CE1 2.96Å; E100-H102 IonicContact OE1-ND1 3.3Å; E100-H102 IonicContact OE1-NE2 3.38Å; E100-H102 IonicContact OE2-CE1 2.96Å; E100-H102 IonicContact OE2-NE2 3.63Å; H102-F104 PolarHBondContact O-N 2.98Å; H102-F104 VanDerWaalsContact O-N 3.08Å |
| 103 | Q | 60.5 | Low | 55.9 | Low | 172 Ų | 172 | 143 Ų | 143 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | | | trans | -74.6 | 94.2 | 164.9 | -70.4 | -162.1 | 63 | 0 | 0 | 109.4 | I101 N105 | I101-Q103 VanDerWaalsContact C-N 3.32Å; I101-Q103 HydrophobicContact CG2-CG 4.12Å; I101-Q103 PolarHBondContact O-N 2.81Å; Q103-N105 PolarHBondContact O-N 3.08Å |
| 104 | F | 52.1 | Low | 56.1 | Low | 170 Ų | 170 | 138.3 Ų | 138.3 | 75% | 0.746 | 74% | 0.739 | S | S | * | * | | | trans | -73 | 78.3 | 163.9 | -105.1 | -78.4 | 0 | 0 | 0 | 109.4 | H102 K106 | H102-F104 PolarHBondContact O-N 2.98Å; H102-F104 VanDerWaalsContact O-N 3.08Å; F104-K106 VanDerWaalsContact C-N 3.35Å; F104-K106 HydrophobicContact CD1-CD 4.2Å; F104-K106 HydrophobicContact CD1-CG 4.07Å; F104-K106 PolarHBondContact O-N 2.9Å; F104-K106 VanDerWaalsContact O-N 3.12Å |
| 105 | N | 54 | Low | 56.7 | Low | 120 Ų | 120 | 137.3 Ų | 137.3 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | | | trans | -77.2 | 89.5 | 162.9 | -176.4 | 10.4 | 0 | 0 | 0 | 108.7 | Q103 N107 | Q103-N105 PolarHBondContact O-N 3.08Å; N105-N107 PolarHBondContact O-N 3.43Å |
| 106 | K | 57.4 | Low | 57.4 | Low | 175 Ų | 175 | 134.8 Ų | 134.8 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | | | trans | -88.8 | 82.6 | 167.1 | -82.4 | 174.3 | 176.1 | 175.2 | 0 | 109 | F104 | F104-K106 VanDerWaalsContact C-N 3.35Å; F104-K106 HydrophobicContact CD1-CD 4.2Å; F104-K106 HydrophobicContact CD1-CG 4.07Å; F104-K106 PolarHBondContact O-N 2.9Å; F104-K106 VanDerWaalsContact O-N 3.12Å |
| 107 | N | 60.5 | Low | 58 | Low | 115 Ų | 115 | 137 Ų | 137 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | | | trans | -100.9 | 95.9 | 153.9 | 61 | 3.8 | 0 | 0 | 0 | 109.2 | N105 S109 | N105-N107 PolarHBondContact O-N 3.43Å; N107-S109 PolarHBondContact O-N 2.76Å |
| 108 | N | 55.5 | Low | 58.6 | Low | 148 Ų | 148 | 140 Ų | 140 | 79% | 0.791 | 75% | 0.752 | S | S | * | * | | | trans | -27.8 | 106.7 | 162.1 | 42.9 | 2.9 | 0 | 0 | 0 | 116.2 | | |
| 109 | S | 58.9 | Low | 58.8 | Low | 105 Ų | 105 | 143.6 Ų | 143.6 | 73% | 0.734 | 76% | 0.761 | S | S | * | * | | | | 34.1 | 95.3 | 123.5 | -179.7 | 0 | 0 | 0 | 0 | 117 | N107 | N107-S109 PolarHBondContact O-N 2.76Š|
| 110 | N | 62.3 | Low | 58.6 | Low | 156 Ų | 156 | 147.6 Ų | 147.6 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | trans | -150.4 | 90.6 | 145.2 | -81.8 | -44 | 0 | 0 | 0 | 108.6 | | |
| 111 | Q | 60.9 | Low | 58.9 | Low | 204 Ų | 204 | 147.9 Ų | 147.9 | 95% | 0.953 | 80% | 0.796 | S | S | * | * | | | trans | -153.1 | 134.2 | 149.5 | -121.9 | 173.9 | 71.4 | 0 | 0 | 111.6 | | |
| 112 | A | 58.2 | Low | 58.8 | Low | 95 Ų | 95 | 147.9 Ų | 147.9 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | | | trans | -86.2 | 155.3 | -166.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 113 | A | 50.5 | Low | 58.8 | Low | 103 Ų | 103 | 148.8 Ų | 148.8 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | | | trans | 61.8 | 118.2 | 146.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | | |
| 114 | A | 56.5 | Low | 58.7 | Low | 92 Ų | 92 | 147.5 Ų | 147.5 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | | | | -166.5 | 116.2 | 103.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | | |
| 115 | V | 57.3 | Low | 59.1 | Low | 118 Ų | 118 | 146.1 Ų | 146.1 | 72% | 0.715 | 81% | 0.813 | S | S | * | * | | | trans | -84.7 | 113.5 | 168.3 | 179.8 | 0 | 0 | 0 | 0 | 107.2 | F117 | V115-F117 HydrophobicContact CB-CE2 4.41Å; V115-F117 HydrophobicContact CG1-CD2 3.88Å; V115-F117 HydrophobicContact CG1-CE1 4.12Å; V115-F117 HydrophobicContact CG1-CE2 3.4Å; V115-F117 HydrophobicContact CG1-CG 4.43Å; V115-F117 HydrophobicContact CG1-CZ 3.54Å |
| 116 | T | 67.3 | Low | 59.5 | Low | 122 Ų | 122 | 147.8 Ų | 147.8 | 75% | 0.748 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -98.8 | 118.2 | 169.5 | 24 | 0 | 0 | 0 | 0 | 108.9 | | |
| 117 | F | 64.3 | Low | 59.6 | Low | 187 Ų | 187 | 145.9 Ų | 145.9 | 82% | 0.82 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 126.5 | 168.7 | -66.4 | -77.8 | 0 | 0 | 0 | 108.8 | V115 | V115-F117 HydrophobicContact CB-CE2 4.41Å; V115-F117 HydrophobicContact CG1-CD2 3.88Å; V115-F117 HydrophobicContact CG1-CE1 4.12Å; V115-F117 HydrophobicContact CG1-CE2 3.4Å; V115-F117 HydrophobicContact CG1-CG 4.43Å; V115-F117 HydrophobicContact CG1-CZ 3.54Å |
| 118 | H | 67.1 | Low | 59.5 | Low | 184 Ų | 184 | 148.2 Ų | 148.2 | 85% | 0.852 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 128.4 | 164.5 | -76.9 | -54.6 | 0 | 0 | 0 | 109.7 | | |
| 119 | K | 61.9 | Low | 59.9 | Low | 206 Ų | 206 | 148.3 Ų | 148.3 | 90% | 0.896 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 133.3 | 170.7 | 179.3 | 171.3 | 172.7 | 176.5 | 0 | 108.6 | | |
| 120 | V | 53.1 | Low | 60 | Low | 207 Ų | 207 | 152.2 Ų | 152.2 | 100% | 1.255 | 86% | 0.861 | S | S | * | * | | | trans | -61.5 | 0 | 178 | -172.1 | 0 | 0 | 0 | 0 | 111.5 | | |