| 1 | M | 56.1 | Low | 51 | Low | 238 Ų | 238 | 153.7 Ų | 153.7 | 100% | 1.172 | 81% | 0.805 | S | S | * | * | | | | 0 | 113.9 | 0 | -155.1 | 166.6 | 177 | 0 | 0 | 107.2 | | |
| 2 | K | 60.8 | Low | 50.4 | Low | 199 Ų | 199 | 155.5 Ų | 155.5 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | | | trans | -92.1 | 117.6 | -176.3 | -69.4 | 178.2 | 179.2 | 176.9 | 0 | 108.6 | | |
| 3 | V | 55.6 | Low | 49.9 | Very low | 127 Ų | 127 | 160.2 Ų | 160.2 | 77% | 0.77 | 82% | 0.82 | S | S | * | * | | | trans | -102.4 | 113.9 | 176.2 | -174.4 | 0 | 0 | 0 | 0 | 108 | | |
| 4 | N | 56.5 | Low | 49.6 | Very low | 149 Ų | 149 | 155.9 Ų | 155.9 | 80% | 0.797 | 81% | 0.809 | S | S | * | * | | | trans | -91 | 124.6 | 177.1 | -68.1 | -56.5 | 0 | 0 | 0 | 109.2 | | |
| 5 | F | 48.8 | Very low | 49.3 | Very low | 188 Ų | 188 | 150.5 Ų | 150.5 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | | | trans | -104.5 | 105.1 | 173.8 | -136.6 | -92.5 | 0 | 0 | 0 | 109.1 | V7 | F5-V7 HydrophobicContact CD1-CG2 3.87Å; F5-V7 HydrophobicContact CE1-CG2 4.33Å |
| 6 | A | 46.3 | Very low | 49.3 | Very low | 84 Ų | 84 | 150.9 Ų | 150.9 | 69% | 0.694 | 79% | 0.79 | S | S | * | * | | | trans | -93.9 | 99.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | T8 | A6-T8 PolarHBondContact O-N 3.42Š|
| 7 | V | 48.5 | Very low | 50 | Low | 107 Ų | 107 | 154.4 Ų | 154.4 | 65% | 0.648 | 79% | 0.792 | S | S | * | * | | | trans | -84.6 | 97.5 | 170.6 | -178.6 | 0 | 0 | 0 | 0 | 108 | F5 T9 | F5-V7 HydrophobicContact CD1-CG2 3.87Å; F5-V7 HydrophobicContact CE1-CG2 4.33Å; V7-T9 HydrophobicContact CG1-CG2 4.12Å; V7-T9 PolarHBondContact O-N 3.11Å |
| 8 | T | 43.8 | Very low | 50.5 | Low | 131 Ų | 131 | 153.8 Ų | 153.8 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | | | trans | -86.4 | 73 | 179.6 | 48.3 | 0 | 0 | 0 | 0 | 111.1 | A6 H10 | A6-T8 PolarHBondContact O-N 3.42Å; T8-H10 PolarHBondContact O-N 3.33Å; T8-H10 VanDerWaalsContact O-N 3.15Å |
| 9 | T | 48.7 | Very low | 51 | Low | 109 Ų | 109 | 157.2 Ų | 157.2 | 67% | 0.669 | 78% | 0.782 | S | S | * | * | | | trans | -79.5 | 97.2 | 164.5 | 51.6 | 0 | 0 | 0 | 0 | 109.2 | V7 K11 | V7-T9 HydrophobicContact CG1-CG2 4.12Å; V7-T9 PolarHBondContact O-N 3.11Å; T9-K11 PolarHBondContact O-N 3.16Å |
| 10 | H | 45.8 | Very low | 51.6 | Low | 176 Ų | 176 | 155.8 Ų | 155.8 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -50.6 | 119.6 | 171.6 | -172.3 | -102.7 | 0 | 0 | 0 | 110.2 | T8 | T8-H10 PolarHBondContact O-N 3.33Å; T8-H10 VanDerWaalsContact O-N 3.15Å |
| 11 | K | 50.2 | Low | 52 | Low | 183 Ų | 183 | 154.6 Ų | 154.6 | 80% | 0.796 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 102.3 | 19.8 | 169.3 | -71.7 | -172.4 | 171.4 | -178.7 | 0 | 122.3 | T9 | T9-K11 PolarHBondContact O-N 3.16Š|
| 12 | M | 43.9 | Very low | 52 | Low | 175 Ų | 175 | 150.7 Ų | 150.7 | 86% | 0.862 | 75% | 0.751 | S | S | * | * | | | trans | -135.6 | 109.7 | 156.5 | -71.6 | -169.5 | -177.5 | 0 | 0 | 112.3 | C14 | M12-C14 PolarHBondContact O-N 3.24Š|
| 13 | K | 44.3 | Very low | 51.9 | Low | 216 Ų | 216 | 146.5 Ų | 146.5 | 94% | 0.939 | 74% | 0.742 | S | S | * | * | | | trans | -75.8 | 54.7 | -178.4 | -70.1 | -177.4 | 173.8 | 179.6 | 0 | 113 | | |
| 14 | C | 45.3 | Very low | 52 | Low | 100 Ų | 100 | 145.6 Ų | 145.6 | 68% | 0.676 | 74% | 0.739 | S | S | * | * | | | trans | -133 | 77.4 | 165.8 | -65.8 | 0 | 0 | 0 | 0 | 108.3 | M12 F16 | M12-C14 PolarHBondContact O-N 3.24Å; C14-F16 HydrophobicContact CB-CD2 4.41Å; C14-F16 PolarHBondContact O-N 3.06Å |
| 15 | A | 44.3 | Very low | 52.1 | Low | 75 Ų | 75 | 146 Ų | 146 | 62% | 0.62 | 74% | 0.739 | S | S | * | * | | | trans | -68 | 85.5 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y17 | A15-Y17 HydrophobicContact CB-CD2 4.22Å; A15-Y17 HydrophobicContact CB-CE2 3.64Å; A15-Y17 PolarHBondContact O-N 2.98Å |
| 16 | F | 50.4 | Low | 52.1 | Low | 157 Ų | 157 | 143.3 Ų | 143.3 | 69% | 0.689 | 73% | 0.734 | S | S | * | * | | | trans | -79.9 | 97.7 | 166 | -100.7 | -92.3 | 0 | 0 | 0 | 107.5 | C14 Y18 | C14-F16 HydrophobicContact CB-CD2 4.41Å; C14-F16 PolarHBondContact O-N 3.06Å; F16-Y18 HydrophobicContact CB-CD2 4.36Å; F16-Y18 HydrophobicContact CB-CE2 3.91Å; F16-Y18 HydrophobicContact CD1-CE2 4.17Å; F16-Y18 HydrophobicContact CG-CE2 4.41Å; F16-Y18 PolarHBondContact O-N 3.32Å; F16-Y18 VanDerWaalsContact O-N 3.17Å |
| 17 | Y | 60.4 | Low | 52.4 | Low | 210 Ų | 210 | 147.4 Ų | 147.4 | 82% | 0.824 | 74% | 0.738 | S | S | * | * | | | trans | -74.3 | 100.3 | 170.4 | -66.1 | -84.5 | 0 | 0 | 0 | 108.3 | A15 W19 | A15-Y17 HydrophobicContact CB-CD2 4.22Å; A15-Y17 HydrophobicContact CB-CE2 3.64Å; A15-Y17 PolarHBondContact O-N 2.98Å; Y17-W19 PolarHBondContact O-N 2.94Å |
| 18 | Y | 59.4 | Low | 52.5 | Low | 144 Ų | 144 | 151.8 Ų | 151.8 | 57% | 0.565 | 74% | 0.744 | S | S | * | * | | | trans | -78.6 | 105.8 | 163.7 | -76.3 | -86.3 | 0 | 0 | 0 | 107.8 | F16 I20 W49 | F16-Y18 HydrophobicContact CB-CD2 4.36Å; F16-Y18 HydrophobicContact CB-CE2 3.91Å; F16-Y18 HydrophobicContact CD1-CE2 4.17Å; F16-Y18 HydrophobicContact CG-CE2 4.41Å; F16-Y18 PolarHBondContact O-N 3.32Å; F16-Y18 VanDerWaalsContact O-N 3.17Å; Y18-I20 PolarHBondContact O-N 2.71Å; Y18-W49 WeakPolarHBondContact OH-CH2 3.44Å; Y18-W49 VanDerWaalsContact OH-CZ2 3.25Å; Y18-W49 WeakPolarHBondContact OH-CZ2 3.05Å |
| 19 | W | 59.9 | Low | 52.9 | Low | 218 Ų | 218 | 155.2 Ų | 155.2 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | | | trans | -81.7 | 94.3 | 167.6 | -160.7 | 33.9 | 0 | 0 | 0 | 107.2 | Y17 E21 | Y17-W19 PolarHBondContact O-N 2.94Å; W19-E21 HydrophobicContact CD2-CG 4.45Å; W19-E21 HydrophobicContact CE3-CG 4.44Å; W19-E21 PolarHBondContact O-N 3.17Å |
| 20 | I | 62.9 | Low | 53.3 | Low | 129 Ų | 129 | 159.2 Ų | 159.2 | 66% | 0.662 | 75% | 0.754 | S | S | * | * | | | trans | -81.7 | 100.4 | 169.3 | -60.3 | 175.5 | 0 | 0 | 0 | 105.3 | Y18 L22 | Y18-I20 PolarHBondContact O-N 2.71Å; I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 HydrophobicContact CG2-CD2 4.23Å; I20-L22 PolarHBondContact O-N 3.02Å |
| 21 | E | 59.5 | Low | 54 | Low | 131 Ų | 131 | 155.9 Ų | 155.9 | 61% | 0.612 | 74% | 0.742 | S | S | * | * | | | trans | -61.1 | 102.7 | 162.8 | -74.8 | -173.5 | 162.7 | 0 | 0 | 107.2 | W19 V23 | W19-E21 HydrophobicContact CD2-CG 4.45Å; W19-E21 HydrophobicContact CE3-CG 4.44Å; W19-E21 PolarHBondContact O-N 3.17Å; E21-V23 PolarHBondContact O-N 2.88Å |
| 22 | L | 57.6 | Low | 54.4 | Low | 156 Ų | 156 | 152.3 Ų | 152.3 | 82% | 0.817 | 74% | 0.74 | S | S | * | * | | | trans | -68.4 | 85.4 | 168.7 | -66.6 | 170.5 | 0 | 0 | 0 | 106.6 | I20 P24 | I20-L22 VanDerWaalsContact C-N 3.34Å; I20-L22 HydrophobicContact CG2-CD2 4.23Å; I20-L22 PolarHBondContact O-N 3.02Å; L22-P24 VanDerWaalsContact O-CD 3.32Å; L22-P24 WeakPolarHBondContact O-CD 3.25Å |
| 23 | V | 58.2 | Low | 55.2 | Low | 112 Ų | 112 | 152.3 Ų | 152.3 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | | | trans | -61.6 | 117.7 | 166.5 | 179.5 | 0 | 0 | 0 | 0 | 106.1 | E21 I25 | E21-V23 PolarHBondContact O-N 2.88Å; V23-I25 PolarHBondContact O-N 2.78Å; V23-I25 VanDerWaalsContact O-N 3.13Å |
| 24 | P | 56.6 | Low | 55.7 | Low | 107 Ų | 107 | 144.8 Ų | 144.8 | 70% | 0.695 | 73% | 0.727 | S | S | * | * | | | trans | -61.9 | 120 | -178.9 | 22.9 | -30.4 | 0 | 0 | 0 | 108.9 | L22 N26 | L22-P24 VanDerWaalsContact O-CD 3.32Å; L22-P24 WeakPolarHBondContact O-CD 3.25Å; P24-N26 PolarHBondContact O-N 2.84Å |
| 25 | I | 59.7 | Low | 56.2 | Low | 159 Ų | 159 | 144.8 Ų | 144.8 | 82% | 0.815 | 73% | 0.734 | S | S | * | * | | | trans | -73.6 | 74.2 | 167.3 | -52 | 169.4 | 0 | 0 | 0 | 105.5 | V23 | V23-I25 PolarHBondContact O-N 2.78Å; V23-I25 VanDerWaalsContact O-N 3.13Å |
| 26 | N | 49.1 | Very low | 56.7 | Low | 131 Ų | 131 | 146 Ų | 146 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | | | trans | -122.8 | 123.2 | 175.7 | -138.6 | 29.4 | 0 | 0 | 0 | 110.1 | P24 | P24-N26 PolarHBondContact O-N 2.84Š|
| 27 | E | 52.9 | Low | 57.1 | Low | 170 Ų | 170 | 144.4 Ų | 144.4 | 79% | 0.794 | 73% | 0.734 | S | S | * | * | | | trans | 59.9 | 76.4 | 167.9 | -66.8 | -180 | 142 | 0 | 0 | 116.9 | R29 | E27-R29 PolarHBondContact O-N 2.8Å; E27-R29 VanDerWaalsContact O-N 3.15Å |
| 28 | Y | 49 | Very low | 57 | Low | 198 Ų | 198 | 142.4 Ų | 142.4 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | | | trans | -63.7 | 106 | 144.4 | -82.9 | -94.1 | 0 | 0 | 0 | 107.6 | E30 | Y28-E30 PolarHBondContact O-N 3.03Š|
| 29 | R | 53.1 | Low | 57 | Low | 204 Ų | 204 | 144.1 Ų | 144.1 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | | | trans | -58.4 | 120.2 | 162.8 | -76.9 | 175.1 | 78.4 | 138.2 | 0.7 | 107.6 | E27 D31 | E27-R29 PolarHBondContact O-N 2.8Å; E27-R29 VanDerWaalsContact O-N 3.15Å; R29-D31 IonicContact CZ-OD2 3.75Å; R29-D31 IonicContact NE-OD2 3.18Å; R29-D31 PolarHBondContact NE-OD2 2.79Å; R29-D31 IonicContact NH2-OD2 3.38Å; R29-D31 PolarHBondContact NH2-OD2 3.11Å; R29-D31 PolarHBondContact O-N 2.78Å |
| 30 | E | 57.8 | Low | 57.1 | Low | 192 Ų | 192 | 139.3 Ų | 139.3 | 90% | 0.897 | 72% | 0.72 | S | S | * | * | | | trans | -74.7 | 58.1 | 170.7 | -65.3 | -173.2 | 161.1 | 0 | 0 | 110.3 | Y28 | Y28-E30 PolarHBondContact O-N 3.03Š|
| 31 | D | 59.7 | Low | 57 | Low | 107 Ų | 107 | 139.1 Ų | 139.1 | 57% | 0.572 | 72% | 0.72 | S | S | * | * | | | trans | -124.6 | 120.9 | 175.3 | -57.6 | -33.6 | 0 | 0 | 0 | 108.5 | R29 | R29-D31 IonicContact CZ-OD2 3.75Å; R29-D31 IonicContact NE-OD2 3.18Å; R29-D31 PolarHBondContact NE-OD2 2.79Å; R29-D31 IonicContact NH2-OD2 3.38Å; R29-D31 PolarHBondContact NH2-OD2 3.11Å; R29-D31 PolarHBondContact O-N 2.78Å |
| 32 | S | 58.4 | Low | 57 | Low | 107 Ų | 107 | 138 Ų | 138 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | S | Bend | trans | 98.6 | 80.5 | 159.8 | -150 | 0 | 0 | 0 | 0 | 117.8 | G34 | S32-G34 VanDerWaalsContact C-N 3.25Å; S32-G34 PolarHBondContact O-N 2.73Å |
| 33 | D | 61.3 | Low | 57.2 | Low | 176 Ų | 176 | 136.7 Ų | 136.7 | 94% | 0.941 | 71% | 0.705 | S | S | * | * | S | Bend | | 43.3 | 28.3 | 122.4 | -53.7 | -12.6 | 0 | 0 | 0 | 120.4 | | |
| 34 | G | 55.2 | Low | 57.4 | Low | 58 Ų | 58 | 142.2 Ų | 142.2 | 60% | 0.598 | 71% | 0.714 | S | S | * | * | | | trans | -153.1 | 45.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S32 P36 | S32-G34 VanDerWaalsContact C-N 3.25Å; S32-G34 PolarHBondContact O-N 2.73Å; G34-P36 WeakPolarHBondContact O-CD 3.03Å |
| 35 | A | 54.3 | Low | 57.9 | Low | 99 Ų | 99 | 144.5 Ų | 144.5 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | | | trans | -48.1 | 104 | -178 | 0 | 0 | 0 | 0 | 0 | 111 | D37 | A35-D37 PolarHBondContact O-N 2.77Š|
| 36 | P | 55.7 | Low | 58.2 | Low | 102 Ų | 102 | 146 Ų | 146 | 66% | 0.662 | 71% | 0.714 | S | S | * | * | | | trans | -71.1 | 123.5 | 171.4 | 28.9 | -27.7 | 0 | 0 | 0 | 106.5 | G34 Y38 | G34-P36 WeakPolarHBondContact O-CD 3.03Å; P36-Y38 PolarHBondContact O-N 3.04Å |
| 37 | D | 57.7 | Low | 59 | Low | 122 Ų | 122 | 148.5 Ų | 148.5 | 65% | 0.652 | 72% | 0.715 | S | S | * | * | | | trans | -35.3 | 108.3 | -179.7 | -99.4 | -38.1 | 0 | 0 | 0 | 111.1 | A35 Y39 E40 | A35-D37 PolarHBondContact O-N 2.77Å; D37-Y39 PolarHBondContact O-N 3.39Å; D37-E40 PolarHBondContact O-N 3.46Å |
| 38 | Y | 59.3 | Low | 59.6 | Low | 169 Ų | 169 | 143.6 Ų | 143.6 | 66% | 0.663 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -47.4 | -27.6 | 179.9 | 174.7 | -99.6 | 0 | 0 | 0 | 112.5 | P36 E40 L42 | P36-Y38 PolarHBondContact O-N 3.04Å; Y38-E40 PolarHBondContact O-N 3.42Å; Y38-L42 HydrophobicContact CD1-CD1 3.92Å; Y38-L42 HydrophobicContact CD2-CD1 4.37Å; Y38-L42 HydrophobicContact CE1-CD1 3.56Å; Y38-L42 HydrophobicContact CE2-CD1 4.05Å; Y38-L42 HydrophobicContact CG-CD1 4.3Å; Y38-L42 VanDerWaalsContact O-CD1 3.23Å; Y38-L42 WeakPolarHBondContact O-CD1 3.23Å |
| 39 | Y | 59 | Low | 60.3 | Low | 180 Ų | 180 | 144.4 Ų | 144.4 | 71% | 0.706 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -67.9 | -27.3 | 176.9 | -71.3 | -79.1 | 0 | 0 | 0 | 114.9 | D37 K43 | D37-Y39 PolarHBondContact O-N 3.39Å; Y39-K43 PolarHBondContact O-N 2.86Å |
| 40 | E | 62.2 | Low | 60.6 | Low | 117 Ų | 117 | 139.4 Ų | 139.4 | 55% | 0.547 | 71% | 0.707 | S | S | . | * | H | α-helix | trans | -73.6 | -35.9 | 179.1 | -73.3 | -64.2 | 149.8 | 0 | 0 | 111.9 | D37 Y38 L42 K43 | D37-E40 PolarHBondContact O-N 3.46Å; Y38-E40 PolarHBondContact O-N 3.42Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.27Å; E40-K43 VanDerWaalsContact CD-NZ 3.27Å; E40-K43 WeakPolarHBondContact O-CB 3.28Å; E40-K43 PolarHBondContact O-N 3.41Å; E40-K43 IonicContact OE1-NZ 2.64Å; E40-K43 PolarHBondContact OE1-NZ 3.31Å; E40-K43 IonicContact OE2-NZ 3.18Å; E40-K43 PolarHBondContact OE2-NZ 3.37Å |
| 41 | L | 61.5 | Low | 60.7 | Low | 124 Ų | 124 | 133 Ų | 133 | 65% | 0.649 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -68.6 | -29.9 | 176.7 | -71.2 | 170.2 | 0 | 0 | 0 | 112.3 | K43 | L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 2.96Å |
| 42 | L | 59.8 | Low | 61 | Low | 107 Ų | 107 | 137.7 Ų | 137.7 | 56% | 0.56 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -6.5 | 175.2 | -85.2 | 98.9 | 0 | 0 | 0 | 114.4 | Y38 E40 R44 | Y38-L42 HydrophobicContact CD1-CD1 3.92Å; Y38-L42 HydrophobicContact CD2-CD1 4.37Å; Y38-L42 HydrophobicContact CE1-CD1 3.56Å; Y38-L42 HydrophobicContact CE2-CD1 4.05Å; Y38-L42 HydrophobicContact CG-CD1 4.3Å; Y38-L42 VanDerWaalsContact O-CD1 3.23Å; Y38-L42 WeakPolarHBondContact O-CD1 3.23Å; E40-L42 VanDerWaalsContact C-N 3.3Å; E40-L42 PolarHBondContact O-N 3.27Å; L42-R44 PolarHBondContact O-N 2.89Å |
| 43 | K | 60.6 | Low | 61.3 | Low | 130 Ų | 130 | 144.1 Ų | 144.1 | 57% | 0.565 | 72% | 0.716 | S | S | * | * | | | trans | -72.8 | 54.1 | 164.8 | -68.2 | -179.5 | -170.2 | 162.1 | 0 | 110.3 | Y39 E40 L41 K45 | Y39-K43 PolarHBondContact O-N 2.86Å; E40-K43 VanDerWaalsContact CD-NZ 3.27Å; E40-K43 WeakPolarHBondContact O-CB 3.28Å; E40-K43 PolarHBondContact O-N 3.41Å; E40-K43 IonicContact OE1-NZ 2.64Å; E40-K43 PolarHBondContact OE1-NZ 3.31Å; E40-K43 IonicContact OE2-NZ 3.18Å; E40-K43 PolarHBondContact OE2-NZ 3.37Å; L41-K43 VanDerWaalsContact C-N 3.31Å; L41-K43 PolarHBondContact O-N 2.96Å; K43-K45 VanDerWaalsContact C-N 3.32Å; K43-K45 PolarHBondContact O-N 3.28Å |
| 44 | R | 63.6 | Low | 61.4 | Low | 227 Ų | 227 | 140.8 Ų | 140.8 | 86% | 0.857 | 71% | 0.706 | S | S | * | * | | | trans | -53.6 | 98 | 165.3 | -170.8 | 173.1 | -179.3 | 174.4 | 0.4 | 106.5 | L42 F46 | L42-R44 PolarHBondContact O-N 2.89Å; R44-F46 PolarHBondContact O-N 3.38Å |
| 45 | K | 66.4 | Low | 61.8 | Low | 156 Ų | 156 | 143.2 Ų | 143.2 | 68% | 0.678 | 71% | 0.714 | S | S | * | * | | | trans | -53.8 | 103.2 | -178.1 | -68.5 | 177.9 | 179.7 | 172.6 | 0 | 108 | K43 Y47 | K43-K45 VanDerWaalsContact C-N 3.32Å; K43-K45 PolarHBondContact O-N 3.28Å; K45-Y47 VanDerWaalsContact C-N 3.26Å; K45-Y47 HydrophobicContact CB-CD2 4Å; K45-Y47 HydrophobicContact CB-CE2 3.51Å; K45-Y47 HydrophobicContact CD-CE2 4.21Å; K45-Y47 WeakPolarHBondContact CD-OH 3.5Å; K45-Y47 HydrophobicContact CG-CE2 4.49Å; K45-Y47 VanDerWaalsContact O-CD2 3.28Å; K45-Y47 WeakPolarHBondContact O-CD2 3.32Å; K45-Y47 PolarHBondContact O-N 3.29Å |
| 46 | F | 66.4 | Low | 62.3 | Low | 190 Ų | 190 | 142.3 Ų | 142.3 | 83% | 0.833 | 71% | 0.706 | S | S | * | * | | | trans | -73.8 | 89.8 | 172.1 | -170.5 | -95.9 | 0 | 0 | 0 | 106.4 | R44 A48 | R44-F46 PolarHBondContact O-N 3.38Å; F46-A48 HydrophobicContact CD1-CB 3.93Å; F46-A48 HydrophobicContact CE1-CB 3.83Å; F46-A48 PolarHBondContact O-N 2.86Å |
| 47 | Y | 65.7 | Low | 62.4 | Low | 184 Ų | 184 | 141.9 Ų | 141.9 | 72% | 0.722 | 70% | 0.703 | S | S | * | * | | | trans | -69.4 | 82.1 | 167.1 | -66.8 | -85.7 | 0 | 0 | 0 | 106.8 | K45 W49 | K45-Y47 VanDerWaalsContact C-N 3.26Å; K45-Y47 HydrophobicContact CB-CD2 4Å; K45-Y47 HydrophobicContact CB-CE2 3.51Å; K45-Y47 HydrophobicContact CD-CE2 4.21Å; K45-Y47 WeakPolarHBondContact CD-OH 3.5Å; K45-Y47 HydrophobicContact CG-CE2 4.49Å; K45-Y47 VanDerWaalsContact O-CD2 3.28Å; K45-Y47 WeakPolarHBondContact O-CD2 3.32Å; K45-Y47 PolarHBondContact O-N 3.29Å; Y47-W49 PolarHBondContact O-N 3.25Å |
| 48 | A | 65.5 | Low | 62.5 | Low | 67 Ų | 67 | 147.7 Ų | 147.7 | 55% | 0.554 | 72% | 0.716 | S | S | * | * | | | trans | -54.2 | 117.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | F46 A50 | F46-A48 HydrophobicContact CD1-CB 3.93Å; F46-A48 HydrophobicContact CE1-CB 3.83Å; F46-A48 PolarHBondContact O-N 2.86Å; A48-A50 VanDerWaalsContact C-N 3.31Å; A48-A50 PolarHBondContact O-N 3.18Å |
| 49 | W | 64.1 | Low | 62.5 | Low | 215 Ų | 215 | 147.5 Ų | 147.5 | 81% | 0.814 | 72% | 0.719 | S | S | * | * | | | trans | -50.1 | 103.2 | 172.7 | -84.4 | -58.2 | 0 | 0 | 0 | 107.4 | Y18 Y47 G51 | Y18-W49 WeakPolarHBondContact OH-CH2 3.44Å; Y18-W49 VanDerWaalsContact OH-CZ2 3.25Å; Y18-W49 WeakPolarHBondContact OH-CZ2 3.05Å; Y47-W49 PolarHBondContact O-N 3.25Å; W49-G51 PolarHBondContact O-N 3.15Å |
| 50 | A | 59 | Low | 62.1 | Low | 99 Ų | 99 | 148 Ų | 148 | 82% | 0.818 | 72% | 0.721 | S | S | * | * | | | trans | -69.4 | 73.4 | 161 | 0 | 0 | 0 | 0 | 0 | 105.1 | A48 K52 | A48-A50 VanDerWaalsContact C-N 3.31Å; A48-A50 PolarHBondContact O-N 3.18Å; A50-K52 PolarHBondContact O-N 3.06Å |
| 51 | G | 59.4 | Low | 61.5 | Low | 56 Ų | 56 | 151.4 Ų | 151.4 | 58% | 0.577 | 74% | 0.737 | S | S | * | * | | | trans | -48.6 | 121.2 | 177 | 0 | 0 | 0 | 0 | 0 | 106.5 | W49 R53 | W49-G51 PolarHBondContact O-N 3.15Å; G51-R53 PolarHBondContact O-N 3.31Å |
| 52 | K | 65.6 | Low | 61.1 | Low | 206 Ų | 206 | 151.9 Ų | 151.9 | 90% | 0.896 | 74% | 0.74 | S | S | * | * | | | trans | -45.2 | 105.6 | 175.1 | -73.9 | 178.9 | 176 | -179.7 | 0 | 107 | A50 S54 | A50-K52 PolarHBondContact O-N 3.06Å; K52-S54 PolarHBondContact O-N 3.35Å |
| 53 | R | 64.6 | Low | 60.8 | Low | 243 Ų | 243 | 153.3 Ų | 153.3 | 92% | 0.917 | 75% | 0.748 | S | S | * | * | | | trans | -65.2 | 92.8 | 163.4 | -73.1 | 179.6 | 165.1 | 175.7 | -4 | 103.6 | G51 S55 | G51-R53 PolarHBondContact O-N 3.31Å; R53-S55 PolarHBondContact O-N 2.97Å |
| 54 | S | 63.1 | Low | 60.2 | Low | 105 Ų | 105 | 155 Ų | 155 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | | | trans | -54.3 | 116 | 167.3 | 47.2 | 0 | 0 | 0 | 0 | 104.9 | K52 A56 | K52-S54 PolarHBondContact O-N 3.35Å; S54-A56 VanDerWaalsContact C-N 3.31Å; S54-A56 PolarHBondContact O-N 3.25Å |
| 55 | S | 64.8 | Low | 59.8 | Low | 110 Ų | 110 | 150.1 Ų | 150.1 | 77% | 0.769 | 76% | 0.759 | S | S | * | * | | | trans | -55.5 | 105.3 | 169.7 | 47.7 | 0 | 0 | 0 | 0 | 105.4 | R53 | R53-S55 PolarHBondContact O-N 2.97Š|
| 56 | A | 64.3 | Low | 59.2 | Low | 79 Ų | 79 | 148 Ų | 148 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | | | trans | -50.8 | 127 | -179.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | S54 R58 | S54-A56 VanDerWaalsContact C-N 3.31Å; S54-A56 PolarHBondContact O-N 3.25Å; A56-R58 PolarHBondContact O-N 3.17Å |
| 57 | P | 58.2 | Low | 58.8 | Low | 93 Ų | 93 | 145.9 Ų | 145.9 | 60% | 0.604 | 76% | 0.761 | S | S | * | * | | | trans | -65.2 | 126.9 | -177.5 | 23.9 | -29.6 | 0 | 0 | 0 | 108.3 | F59 | P57-F59 HydrophobicContact CB-CD2 3.57Å; P57-F59 HydrophobicContact CB-CE2 3.38Å; P57-F59 HydrophobicContact CB-CZ 4.33Å; P57-F59 HydrophobicContact CG-CD2 3.59Å; P57-F59 HydrophobicContact CG-CE2 3.38Å; P57-F59 PolarHBondContact O-N 3.3Å |
| 58 | R | 60.5 | Low | 58.5 | Low | 245 Ų | 245 | 145.2 Ų | 145.2 | 93% | 0.925 | 76% | 0.764 | S | S | * | * | | | trans | -69.7 | 75.1 | 176.7 | -58.6 | -177.3 | -165.7 | -154.2 | 3.7 | 108.4 | A56 Y60 | A56-R58 PolarHBondContact O-N 3.17Å; R58-Y60 PolarHBondContact O-N 2.88Å; R58-Y60 VanDerWaalsContact O-N 3.16Å |
| 59 | F | 57.5 | Low | 58.1 | Low | 164 Ų | 164 | 151 Ų | 151 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | | | trans | -79.3 | 99.5 | 174 | -80.3 | -76.7 | 0 | 0 | 0 | 109.1 | P57 | P57-F59 HydrophobicContact CB-CD2 3.57Å; P57-F59 HydrophobicContact CB-CE2 3.38Å; P57-F59 HydrophobicContact CB-CZ 4.33Å; P57-F59 HydrophobicContact CG-CD2 3.59Å; P57-F59 HydrophobicContact CG-CE2 3.38Å; P57-F59 PolarHBondContact O-N 3.3Å |
| 60 | Y | 51.7 | Low | 58.2 | Low | 190 Ų | 190 | 147 Ų | 147 | 75% | 0.745 | 78% | 0.776 | S | S | * | * | | | trans | 38.5 | 115.2 | 146.7 | -63.5 | -87.8 | 0 | 0 | 0 | 119.5 | R58 N62 | R58-Y60 PolarHBondContact O-N 2.88Å; R58-Y60 VanDerWaalsContact O-N 3.16Å; Y60-N62 PolarHBondContact O-N 3.24Å |
| 61 | Q | 49.7 | Very low | 58.8 | Low | 189 Ų | 189 | 152.7 Ų | 152.7 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | | | trans | -38.9 | 117.9 | 145.2 | -75.7 | 167.2 | -38.2 | 0 | 0 | 110 | | |
| 62 | N | 52.6 | Low | 59.4 | Low | 135 Ų | 135 | 161.2 Ų | 161.2 | 72% | 0.722 | 79% | 0.791 | S | S | * | * | | | trans | -153.3 | 96.7 | 151.6 | -81.6 | -58.4 | 0 | 0 | 0 | 106.5 | Y60 | Y60-N62 PolarHBondContact O-N 3.24Š|
| 63 | D | 52.7 | Low | 60 | Low | 136 Ų | 136 | 159.3 Ų | 159.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | | | trans | 44.6 | 114.6 | 133.3 | -52.4 | -25.2 | 0 | 0 | 0 | 119.6 | V65 | D63-V65 PolarHBondContact O-N 2.83Š|
| 64 | D | 49.7 | Very low | 60.6 | Low | 167 Ų | 167 | 156.6 Ų | 156.6 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | | | trans | 31.1 | 80.3 | 140.2 | -74.4 | -27.7 | 0 | 0 | 0 | 117.5 | | |
| 65 | V | 54.8 | Low | 61.3 | Low | 124 Ų | 124 | 160.2 Ų | 160.2 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | | | trans | -132.5 | 114.3 | 146.9 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | D63 D67 | D63-V65 PolarHBondContact O-N 2.83Å; V65-D67 VanDerWaalsContact C-N 3.27Å; V65-D67 PolarHBondContact O-N 2.81Å |
| 66 | S | 54.4 | Low | 61.7 | Low | 112 Ų | 112 | 158.4 Ų | 158.4 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | | | trans | -64.6 | 77.3 | 177.5 | 61.8 | 0 | 0 | 0 | 0 | 111.4 | E68 | S66-E68 PolarHBondContact O-N 3.16Š|
| 67 | D | 57.3 | Low | 61.9 | Low | 144 Ų | 144 | 166.7 Ų | 166.7 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | -94.1 | 92.4 | 167.2 | -99 | -17.9 | 0 | 0 | 0 | 109.6 | V65 K69 | V65-D67 VanDerWaalsContact C-N 3.27Å; V65-D67 PolarHBondContact O-N 2.81Å; D67-K69 PolarHBondContact O-N 2.74Å |
| 68 | E | 58 | Low | 61.9 | Low | 170 Ų | 170 | 167 Ų | 167 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | | | trans | -16.8 | 103 | 159.2 | -151.8 | 65 | -157.2 | 0 | 0 | 111.6 | S66 V70 | S66-E68 PolarHBondContact O-N 3.16Å; E68-V70 PolarHBondContact O-N 3.23Å |
| 69 | K | 58.6 | Low | 61.8 | Low | 189 Ų | 189 | 158.2 Ų | 158.2 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | | | trans | -51.7 | 97.2 | -179.6 | -84.1 | 172.2 | 174.8 | 168.4 | 0 | 110.3 | D67 R71 | D67-K69 PolarHBondContact O-N 2.74Å; K69-R71 PolarHBondContact O-N 3.34Å |
| 70 | V | 65.1 | Low | 61.8 | Low | 131 Ų | 131 | 159.5 Ų | 159.5 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | | | trans | -66.7 | 79.2 | 162.9 | -176.4 | 0 | 0 | 0 | 0 | 107.5 | E68 R72 | E68-V70 PolarHBondContact O-N 3.23Å; V70-R72 VanDerWaalsContact C-N 3.35Å; V70-R72 PolarHBondContact O-N 2.98Å |
| 71 | R | 71.4 | Confident | 62 | Low | 218 Ų | 218 | 158 Ų | 158 | 82% | 0.823 | 79% | 0.788 | S | S | * | * | | | trans | -62.3 | 98.6 | 169.8 | -82.1 | 175.3 | 71.1 | 175.7 | 1.6 | 107.2 | K69 K73 | K69-R71 PolarHBondContact O-N 3.34Å; R71-K73 PolarHBondContact O-N 2.8Å; R71-K73 VanDerWaalsContact O-N 3.11Å |
| 72 | R | 73 | Confident | 62.6 | Low | 235 Ų | 235 | 155.3 Ų | 155.3 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | | | trans | -57.4 | 115.6 | 170.1 | -66.9 | -178.3 | 179.4 | -178.7 | -0.3 | 108 | V70 F74 | V70-R72 VanDerWaalsContact C-N 3.35Å; V70-R72 PolarHBondContact O-N 2.98Å; R72-F74 PolarHBondContact O-N 2.83Å |
| 73 | K | 77.1 | Confident | 62.5 | Low | 167 Ų | 167 | 154.7 Ų | 154.7 | 73% | 0.726 | 78% | 0.779 | S | S | * | * | | | trans | -68.5 | 116.2 | 175.2 | -67.4 | -179.7 | 179.4 | 177.2 | 0 | 108.2 | R71 Y75 | R71-K73 PolarHBondContact O-N 2.8Å; R71-K73 VanDerWaalsContact O-N 3.11Å; K73-Y75 HydrophobicContact CB-CE2 4.06Å; K73-Y75 PolarHBondContact O-N 2.84Å |
| 74 | F | 77.5 | Confident | 62.5 | Low | 185 Ų | 185 | 152.5 Ų | 152.5 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | | | trans | -78.6 | 111.6 | 173.2 | -175.2 | -95.2 | 0 | 0 | 0 | 108.4 | R72 A76 | R72-F74 PolarHBondContact O-N 2.83Å; F74-A76 HydrophobicContact CD1-CB 4.37Å; F74-A76 HydrophobicContact CE1-CB 4.04Å; F74-A76 PolarHBondContact O-N 2.94Å |
| 75 | Y | 77.7 | Confident | 62.5 | Low | 181 Ų | 181 | 156.3 Ų | 156.3 | 71% | 0.71 | 77% | 0.773 | S | S | * | * | | | trans | -88.8 | 100.8 | 169.9 | -63.3 | -82.8 | 0 | 0 | 0 | 107.5 | K73 W77 | K73-Y75 HydrophobicContact CB-CE2 4.06Å; K73-Y75 PolarHBondContact O-N 2.84Å; Y75-W77 PolarHBondContact O-N 2.83Å |
| 76 | A | 73.5 | Confident | 62.4 | Low | 72 Ų | 72 | 154.6 Ų | 154.6 | 60% | 0.595 | 76% | 0.759 | S | S | * | * | | | trans | -58 | 127.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | F74 A78 | F74-A76 HydrophobicContact CD1-CB 4.37Å; F74-A76 HydrophobicContact CE1-CB 4.04Å; F74-A76 PolarHBondContact O-N 2.94Å; A76-A78 VanDerWaalsContact C-N 3.33Å; A76-A78 PolarHBondContact O-N 3.03Å |
| 77 | W | 68.9 | Low | 62.3 | Low | 254 Ų | 254 | 153.1 Ų | 153.1 | 96% | 0.962 | 75% | 0.749 | S | S | * | * | | | trans | -59.1 | 98.8 | 176.2 | -58.6 | -41.7 | 0 | 0 | 0 | 108.5 | Y75 G79 | Y75-W77 PolarHBondContact O-N 2.83Å; W77-G79 PolarHBondContact O-N 2.74Å |
| 78 | A | 57.3 | Low | 62.2 | Low | 100 Ų | 100 | 156.5 Ų | 156.5 | 83% | 0.826 | 75% | 0.75 | S | S | * | * | | | trans | -71.7 | 60.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 108.6 | A76 K80 | A76-A78 VanDerWaalsContact C-N 3.33Å; A76-A78 PolarHBondContact O-N 3.03Å; A78-K80 PolarHBondContact O-N 3.05Å |
| 79 | G | 59.8 | Low | 61.8 | Low | 60 Ų | 60 | 156.2 Ų | 156.2 | 62% | 0.619 | 75% | 0.749 | S | S | * | * | | | trans | -62.9 | 106 | 161.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | W77 L81 | W77-G79 PolarHBondContact O-N 2.74Å; G79-L81 PolarHBondContact O-N 2.74Å |
| 80 | K | 56.5 | Low | 61.4 | Low | 190 Ų | 190 | 150.8 Ų | 150.8 | 83% | 0.826 | 73% | 0.731 | S | S | * | * | | | trans | -45.8 | 101.4 | 171.4 | -80.8 | 169.2 | 175.5 | 172.4 | 0 | 108 | A78 I82 | A78-K80 PolarHBondContact O-N 3.05Å; K80-I82 HydrophobicContact CB-CG1 4.49Å; K80-I82 PolarHBondContact O-N 3.3Å |
| 81 | L | 56.2 | Low | 60.6 | Low | 159 Ų | 159 | 150.1 Ų | 150.1 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | | | trans | -64.4 | 93.2 | 157.8 | -85.2 | 166.3 | 0 | 0 | 0 | 104.4 | G79 V83 | G79-L81 PolarHBondContact O-N 2.74Å; L81-V83 HydrophobicContact CB-CG2 4.19Å; L81-V83 PolarHBondContact O-N 3.13Å |
| 82 | I | 61.8 | Low | 59.7 | Low | 133 Ų | 133 | 145.8 Ų | 145.8 | 68% | 0.682 | 71% | 0.712 | S | S | * | * | | | trans | -62.3 | 87.6 | 161.6 | -69 | 170.9 | 0 | 0 | 0 | 104 | K80 T84 | K80-I82 HydrophobicContact CB-CG1 4.49Å; K80-I82 PolarHBondContact O-N 3.3Å; I82-T84 HydrophobicContact CG2-CG2 3.5Å; I82-T84 VanDerWaalsContact CG2-CG2 3.5Å; I82-T84 PolarHBondContact O-N 2.87Å |
| 83 | V | 51.9 | Low | 58.3 | Low | 121 Ų | 121 | 141 Ų | 141 | 73% | 0.733 | 70% | 0.702 | S | S | * | * | | | trans | -73.8 | 71.9 | 166.8 | -177.3 | 0 | 0 | 0 | 0 | 105 | L81 R85 | L81-V83 HydrophobicContact CB-CG2 4.19Å; L81-V83 PolarHBondContact O-N 3.13Å; V83-R85 VanDerWaalsContact C-N 3.34Å; V83-R85 PolarHBondContact O-N 2.96Å |
| 84 | T | 50.8 | Low | 56.8 | Low | 91 Ų | 91 | 138.6 Ų | 138.6 | 56% | 0.558 | 70% | 0.696 | S | S | * | * | | | trans | -65.5 | 108.2 | 160.8 | 40.4 | 0 | 0 | 0 | 0 | 104.8 | I82 I86 | I82-T84 HydrophobicContact CG2-CG2 3.5Å; I82-T84 VanDerWaalsContact CG2-CG2 3.5Å; I82-T84 PolarHBondContact O-N 2.87Å; T84-I86 PolarHBondContact O-N 3.18Å |
| 85 | R | 51.7 | Low | 55.4 | Low | 246 Ų | 246 | 138.8 Ų | 138.8 | 93% | 0.928 | 70% | 0.698 | S | S | * | * | | | trans | -65.4 | 63.8 | 171.9 | -163.7 | -174.8 | -168.3 | -171.8 | 4 | 108.2 | V83 S87 | V83-R85 VanDerWaalsContact C-N 3.34Å; V83-R85 PolarHBondContact O-N 2.96Å; R85-S87 PolarHBondContact O-N 2.64Å; R85-S87 VanDerWaalsContact O-N 3.17Å |
| 86 | I | 51.9 | Low | 54 | Low | 89 Ų | 89 | 137.9 Ų | 137.9 | 46% | 0.456 | 70% | 0.7 | S | S | . | * | | | trans | -73.8 | 111 | 175.5 | -62 | 176.7 | 0 | 0 | 0 | 105.1 | T84 R88 V90 | T84-I86 PolarHBondContact O-N 3.18Å; I86-R88 PolarHBondContact O-N 2.86Å; I86-V90 HydrophobicContact CG2-CB 3.84Å; I86-V90 HydrophobicContact CG2-CG1 4.33Å; I86-V90 HydrophobicContact CG2-CG2 4.36Å |
| 87 | S | 51.9 | Low | 52.6 | Low | 81 Ų | 81 | 137.8 Ų | 137.8 | 57% | 0.566 | 70% | 0.699 | S | S | * | * | | | trans | -44 | 132.2 | 177.5 | -171.1 | 0 | 0 | 0 | 0 | 110.4 | R85 H89 V90 | R85-S87 PolarHBondContact O-N 2.64Å; R85-S87 VanDerWaalsContact O-N 3.17Å; S87-H89 PolarHBondContact O-N 2.9Å; S87-V90 PolarHBondContact O-N 3.48Å |
| 88 | R | 55.4 | Low | 51.5 | Low | 214 Ų | 214 | 133.5 Ų | 133.5 | 81% | 0.808 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -52.1 | -20.9 | -172.7 | -65.7 | 180 | -177.1 | 170.5 | -0.4 | 113.9 | I86 V90 Q91 | I86-R88 PolarHBondContact O-N 2.86Å; R88-V90 VanDerWaalsContact C-N 3.28Å; R88-V90 PolarHBondContact O-N 3.5Å; R88-Q91 PolarHBondContact O-N 3.21Å |
| 89 | H | 50.5 | Low | 51.3 | Low | 165 Ų | 165 | 133.7 Ų | 133.7 | 76% | 0.764 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -66.5 | -22.6 | 176.3 | -96.8 | 90.5 | 0 | 0 | 0 | 114.9 | S87 | S87-H89 PolarHBondContact O-N 2.9Š|
| 90 | V | 49.1 | Very low | 50.7 | Low | 74 Ų | 74 | 135.3 Ų | 135.3 | 45% | 0.448 | 70% | 0.698 | S | S | . | * | G | 310 helix | trans | -90.2 | -13.7 | 177.9 | -171.3 | 0 | 0 | 0 | 0 | 111.9 | I86 S87 R88 I92 L93 | I86-V90 HydrophobicContact CG2-CB 3.84Å; I86-V90 HydrophobicContact CG2-CG1 4.33Å; I86-V90 HydrophobicContact CG2-CG2 4.36Å; S87-V90 PolarHBondContact O-N 3.48Å; R88-V90 VanDerWaalsContact C-N 3.28Å; R88-V90 PolarHBondContact O-N 3.5Å; V90-I92 VanDerWaalsContact C-N 3.25Å; V90-I92 PolarHBondContact O-N 2.84Å; V90-L93 PolarHBondContact O-N 3.48Å |
| 91 | Q | 48.2 | Very low | 50.2 | Low | 118 Ų | 118 | 133.2 Ų | 133.2 | 55% | 0.551 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -66.7 | -25.2 | -179.6 | -73.3 | -172.9 | -20 | 0 | 0 | 113.3 | R88 | R88-Q91 PolarHBondContact O-N 3.21Å |
| 92 | I | 53.4 | Low | 49.6 | Very low | 127 Ų | 127 | 130.7 Ų | 130.7 | 65% | 0.651 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -73.6 | -31.3 | -177.9 | -61.3 | 176 | 0 | 0 | 0 | 111.3 | V90 | V90-I92 VanDerWaalsContact C-N 3.25Å; V90-I92 PolarHBondContact O-N 2.84Å |
| 93 | L | 43.5 | Very low | 48.8 | Very low | 133 Ų | 133 | 133.3 Ų | 133.3 | 70% | 0.696 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -84 | -17.4 | -176 | -79.7 | 164.1 | 0 | 0 | 0 | 114.5 | V90 | V90-L93 PolarHBondContact O-N 3.48Å |
| 94 | I | 45.7 | Very low | 48.2 | Very low | 117 Ų | 117 | 136 Ų | 136 | 60% | 0.6 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -80.6 | -21.4 | 179.4 | -60.4 | 178.6 | 0 | 0 | 0 | 111.7 | | |
| 95 | F | 47.8 | Very low | 47.9 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 83% | 0.833 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.4 | -3.8 | 179.4 | -83.4 | -79.5 | 0 | 0 | 0 | 115.1 | | |
| 96 | Q | 48 | Very low | 47.4 | Very low | 161 Ų | 161 | 134.2 Ų | 134.2 | 75% | 0.752 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -109.7 | -0.4 | -174.1 | -146.7 | 165.6 | -8 | 0 | 0 | 115.1 | | |
| 97 | A | 45 | Very low | 46.9 | Very low | 70 Ų | 70 | 136.6 Ų | 136.6 | 58% | 0.579 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -97.6 | -7.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 98 | D | 45.9 | Very low | 46.7 | Very low | 164 Ų | 164 | 137.1 Ų | 137.1 | 88% | 0.877 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 4.8 | -175.3 | -96.4 | -16.2 | 0 | 0 | 0 | 114.9 | | |
| 99 | A | 51.5 | Low | 46.3 | Very low | 104 Ų | 104 | 132 Ų | 132 | 86% | 0.86 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -4.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | | |
| 100 | S | 48 | Very low | 46.3 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 66% | 0.657 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -127.4 | 102.4 | 179.1 | 57.6 | 0 | 0 | 0 | 0 | 111.7 | | |
| 101 | N | 45.9 | Very low | 45.9 | Very low | 146 Ų | 146 | 137.8 Ų | 137.8 | 78% | 0.781 | 75% | 0.747 | S | S | * | * | | | trans | 72.8 | 88.1 | 155 | -102.7 | -32.1 | 0 | 0 | 0 | 117.7 | F103 | N101-F103 PolarHBondContact O-N 2.93Š|
| 102 | S | 43.4 | Very low | 45.8 | Very low | 107 Ų | 107 | 139.8 Ų | 139.8 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | -56 | 92 | 153.2 | 57.6 | 0 | 0 | 0 | 0 | 112.4 | | |
| 103 | F | 44.4 | Very low | 45.8 | Very low | 188 Ų | 188 | 139.1 Ų | 139.1 | 83% | 0.825 | 76% | 0.762 | S | S | * | * | | | trans | -147.8 | 130.8 | 157.8 | -98.2 | -83.2 | 0 | 0 | 0 | 112.6 | N101 | N101-F103 PolarHBondContact O-N 2.93Š|
| 104 | H | 40.9 | Very low | 46.8 | Very low | 177 Ų | 177 | 137.3 Ų | 137.3 | 82% | 0.819 | 76% | 0.761 | S | S | * | * | | | trans | 91.9 | 95.9 | 169.9 | -117 | -94.3 | 0 | 0 | 0 | 119.7 | | |
| 105 | K | 43.6 | Very low | 47.2 | Very low | 199 Ų | 199 | 137.9 Ų | 137.9 | 87% | 0.865 | 77% | 0.77 | S | S | * | * | | | trans | -30.2 | 131.6 | 153.6 | -62 | 166.6 | 177.4 | 175.9 | 0 | 113.6 | | |
| 106 | S | 41.8 | Very low | 47 | Very low | 101 Ų | 101 | 137.3 Ų | 137.3 | 71% | 0.706 | 77% | 0.767 | S | S | * | * | | | trans | -158.4 | 108.8 | 141.7 | -173.4 | 0 | 0 | 0 | 0 | 110.5 | S108 | S106-S108 VanDerWaalsContact C-N 3.28Å; S106-S108 PolarHBondContact O-N 3.42Å |
| 107 | C | 40.7 | Very low | 48.1 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | | | trans | -67.6 | 85.5 | 166.4 | -70.8 | 0 | 0 | 0 | 0 | 109.2 | S109 | C107-S109 PolarHBondContact O-N 2.89Š|
| 108 | S | 47.3 | Very low | 48.2 | Very low | 92 Ų | 92 | 142.1 Ų | 142.1 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | | | trans | -89.1 | 91.1 | 165.8 | -63.8 | 0 | 0 | 0 | 0 | 108.5 | S106 I110 | S106-S108 VanDerWaalsContact C-N 3.28Å; S106-S108 PolarHBondContact O-N 3.42Å; S108-I110 PolarHBondContact O-N 3.29Å |
| 109 | S | 48.3 | Very low | 48.4 | Very low | 108 Ų | 108 | 140.9 Ų | 140.9 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | -59.7 | 104.5 | 166 | -176.8 | 0 | 0 | 0 | 0 | 108.3 | C107 R111 | C107-S109 PolarHBondContact O-N 2.89Å; S109-R111 PolarHBondContact O-N 2.93Å |
| 110 | I | 50.5 | Low | 48.2 | Very low | 141 Ų | 141 | 143 Ų | 143 | 72% | 0.723 | 79% | 0.793 | S | S | * | * | | | trans | -70.9 | 95.5 | 175.3 | -60.5 | 173 | 0 | 0 | 0 | 107 | S108 L112 | S108-I110 PolarHBondContact O-N 3.29Å; I110-L112 HydrophobicContact CG2-CD2 4.05Å; I110-L112 HydrophobicContact CG2-CG 4.09Å; I110-L112 PolarHBondContact O-N 3.24Å |
| 111 | R | 41.1 | Very low | 48.2 | Very low | 218 Ų | 218 | 145.9 Ų | 145.9 | 82% | 0.823 | 80% | 0.801 | S | S | * | * | | | trans | -73.3 | 102.9 | 163.3 | -85.2 | -173.6 | -177.2 | 171.7 | 1.6 | 108 | S109 T113 | S109-R111 PolarHBondContact O-N 2.93Å; R111-T113 PolarHBondContact O-N 3.15Å; R111-T113 VanDerWaalsContact O-N 3.16Å |
| 112 | L | 44.3 | Very low | 48.3 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | | | trans | -76.8 | 91.6 | 163 | -66.6 | 172.4 | 0 | 0 | 0 | 107.8 | I110 S114 | I110-L112 HydrophobicContact CG2-CD2 4.05Å; I110-L112 HydrophobicContact CG2-CG 4.09Å; I110-L112 PolarHBondContact O-N 3.24Å; L112-S114 PolarHBondContact O-N 2.78Å |
| 113 | T | 54 | Low | 48.7 | Very low | 113 Ų | 113 | 148.5 Ų | 148.5 | 69% | 0.693 | 81% | 0.806 | S | S | * | * | | | trans | -79.6 | 101.1 | 164.1 | 52.9 | 0 | 0 | 0 | 0 | 107.5 | R111 V115 | R111-T113 PolarHBondContact O-N 3.15Å; R111-T113 VanDerWaalsContact O-N 3.16Å; T113-V115 PolarHBondContact O-N 3.38Å; T113-V115 VanDerWaalsContact O-N 3.11Å |
| 114 | S | 65.3 | Low | 49 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 67% | 0.671 | 80% | 0.804 | S | S | * | * | | | trans | -69.4 | 103.2 | 168.1 | 59.1 | 0 | 0 | 0 | 0 | 108.4 | L112 F116 | L112-S114 PolarHBondContact O-N 2.78Å; S114-F116 PolarHBondContact O-N 3.18Å |
| 115 | V | 53.6 | Low | 49.6 | Very low | 129 Ų | 129 | 143.2 Ų | 143.2 | 78% | 0.782 | 80% | 0.803 | S | S | * | * | | | trans | -81.4 | 104.2 | 165.3 | -179.9 | 0 | 0 | 0 | 0 | 106 | T113 | T113-V115 PolarHBondContact O-N 3.38Å; T113-V115 VanDerWaalsContact O-N 3.11Å |
| 116 | F | 44.5 | Very low | 50.1 | Low | 178 Ų | 178 | 138.6 Ų | 138.6 | 78% | 0.781 | 80% | 0.798 | S | S | * | * | | | trans | -95.2 | 127.5 | 162.2 | -83.8 | -84.9 | 0 | 0 | 0 | 107.2 | S114 | S114-F116 PolarHBondContact O-N 3.18Š|
| 117 | P | 69.9 | Low | 50.9 | Low | 189 Ų | 189 | 142 Ų | 142 | 100% | 1.227 | 81% | 0.806 | S | S | * | * | | | trans | -65.7 | 0 | 171.9 | 29.8 | -34.3 | 0 | 0 | 0 | 112 | | |