| 1 | M | 41 | Very low | 48.2 | Very low | 247 Ų | 247 | 155.8 Ų | 155.8 | 100% | 1.217 | 83% | 0.834 | S | S | * | * | | | | 0 | 113.3 | 0 | -87.3 | 170.5 | 155.1 | 0 | 0 | 107.4 | | |
| 2 | I | 40.8 | Very low | 48.2 | Very low | 172 Ų | 172 | 162.4 Ų | 162.4 | 88% | 0.882 | 84% | 0.838 | S | S | * | * | | | trans | -93.7 | 115.4 | 178.8 | -64.1 | 162.8 | 0 | 0 | 0 | 106.4 | I4 | I2-I4 PolarHBondContact O-N 3.33Š|
| 3 | S | 41.1 | Very low | 48.1 | Very low | 85 Ų | 85 | 159.5 Ų | 159.5 | 59% | 0.594 | 82% | 0.824 | S | S | * | * | | | trans | -72.2 | 113.1 | -177 | 53.4 | 0 | 0 | 0 | 0 | 110.3 | H5 | S3-H5 PolarHBondContact O-N 2.94Š|
| 4 | I | 49.3 | Very low | 48.4 | Very low | 166 Ų | 166 | 163.7 Ų | 163.7 | 85% | 0.851 | 82% | 0.824 | S | S | * | * | | | trans | -68.8 | 109.2 | 166.6 | 39.7 | 170.7 | 0 | 0 | 0 | 108.6 | I2 | I2-I4 PolarHBondContact O-N 3.33Š|
| 5 | H | 51.2 | Low | 48.6 | Very low | 166 Ų | 166 | 165.1 Ų | 165.1 | 77% | 0.769 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -73.7 | 129.9 | 173.4 | -72 | -80.9 | 0 | 0 | 0 | 109.5 | S3 E7 | S3-H5 PolarHBondContact O-N 2.94Å; H5-E7 PolarHBondContact O-N 3.4Å |
| 6 | A | 56 | Low | 49.1 | Very low | 99 Ų | 99 | 167.4 Ų | 167.4 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 126.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | | |
| 7 | E | 52 | Low | 49.2 | Very low | 179 Ų | 179 | 167.7 Ų | 167.7 | 84% | 0.836 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 131.8 | 175.5 | -71.8 | 177.3 | 145.6 | 0 | 0 | 110.3 | H5 S9 | H5-E7 PolarHBondContact O-N 3.4Å; E7-S9 PolarHBondContact O-N 3.27Å |
| 8 | P | 55.3 | Low | 49.1 | Very low | 108 Ų | 108 | 162.4 Ų | 162.4 | 70% | 0.701 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 122.3 | 180 | -15.6 | 28.1 | 0 | 0 | 0 | 110 | F10 | P8-F10 PolarHBondContact O-N 3.25Å; P8-F10 VanDerWaalsContact O-N 3.13Å |
| 9 | S | 44.2 | Very low | 49.1 | Very low | 113 Ų | 113 | 157.5 Ų | 157.5 | 79% | 0.79 | 82% | 0.816 | S | S | * | * | | | trans | -64.7 | 112.9 | 173.5 | -55.8 | 0 | 0 | 0 | 0 | 108.6 | E7 E11 | E7-S9 PolarHBondContact O-N 3.27Å; S9-E11 PolarHBondContact O-N 3.45Å |
| 10 | F | 51.1 | Low | 49.6 | Very low | 200 Ų | 200 | 158 Ų | 158 | 88% | 0.877 | 82% | 0.82 | S | S | * | * | | | trans | -63.6 | 99.1 | 175.8 | -68.1 | -86.8 | 0 | 0 | 0 | 109.5 | P8 R12 | P8-F10 PolarHBondContact O-N 3.25Å; P8-F10 VanDerWaalsContact O-N 3.13Å; F10-R12 PolarHBondContact O-N 3.24Å; F10-R12 VanDerWaalsContact O-N 3.14Å |
| 11 | E | 48.8 | Very low | 49.9 | Very low | 179 Ų | 179 | 161.4 Ų | 161.4 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | | | trans | -60.1 | 118.1 | 167.4 | -73.9 | -170.6 | 160.8 | 0 | 0 | 108.5 | S9 L13 | S9-E11 PolarHBondContact O-N 3.45Å; E11-L13 PolarHBondContact O-N 3.29Å |
| 12 | R | 48.1 | Very low | 50.7 | Low | 235 Ų | 235 | 155.3 Ų | 155.3 | 89% | 0.887 | 80% | 0.801 | S | S | * | * | | | trans | -60.7 | 101.7 | -178 | -66.3 | 168.3 | 77.9 | 174 | 5.2 | 108.3 | F10 R14 | F10-R12 PolarHBondContact O-N 3.24Å; F10-R12 VanDerWaalsContact O-N 3.14Å; R12-R14 PolarHBondContact O-N 3.09Å |
| 13 | L | 47 | Very low | 51.6 | Low | 125 Ų | 125 | 152.8 Ų | 152.8 | 65% | 0.654 | 80% | 0.799 | S | S | * | * | | | trans | -55.8 | 100.6 | 169.2 | -107.1 | 94 | 0 | 0 | 0 | 108.6 | E11 Y15 | E11-L13 PolarHBondContact O-N 3.29Å; L13-Y15 VanDerWaalsContact C-N 3.34Å; L13-Y15 HydrophobicContact CB-CD2 4.21Å; L13-Y15 HydrophobicContact CB-CE2 3.77Å; L13-Y15 HydrophobicContact CD2-CE1 3.81Å; L13-Y15 HydrophobicContact CD2-CE2 3.79Å; L13-Y15 WeakPolarHBondContact CD2-OH 3.34Å; L13-Y15 HydrophobicContact CG-CE2 4.43Å; L13-Y15 PolarHBondContact O-N 2.85Å; L13-Y15 VanDerWaalsContact O-N 3.09Å |
| 14 | R | 51.5 | Low | 52.5 | Low | 218 Ų | 218 | 157.4 Ų | 157.4 | 82% | 0.823 | 81% | 0.811 | S | S | * | * | | | trans | -76.7 | 91.3 | 169 | -66.9 | -173.3 | -175.7 | -164.6 | 2.4 | 106.8 | R12 F16 | R12-R14 PolarHBondContact O-N 3.09Å; R14-F16 PolarHBondContact O-N 2.99Å |
| 15 | Y | 52.2 | Low | 52.8 | Low | 185 Ų | 185 | 155.7 Ų | 155.7 | 73% | 0.725 | 81% | 0.809 | S | S | * | * | | | trans | -67 | 114.5 | 163.8 | -65.3 | -82.6 | 0 | 0 | 0 | 107.4 | L13 L17 | L13-Y15 VanDerWaalsContact C-N 3.34Å; L13-Y15 HydrophobicContact CB-CD2 4.21Å; L13-Y15 HydrophobicContact CB-CE2 3.77Å; L13-Y15 HydrophobicContact CD2-CE1 3.81Å; L13-Y15 HydrophobicContact CD2-CE2 3.79Å; L13-Y15 WeakPolarHBondContact CD2-OH 3.34Å; L13-Y15 HydrophobicContact CG-CE2 4.43Å; L13-Y15 PolarHBondContact O-N 2.85Å; L13-Y15 VanDerWaalsContact O-N 3.09Å; Y15-L17 PolarHBondContact O-N 3.12Å |
| 16 | F | 55.9 | Low | 53.1 | Low | 202 Ų | 202 | 151.7 Ų | 151.7 | 89% | 0.886 | 80% | 0.804 | S | S | * | * | | | trans | -65.2 | 84.2 | 166.3 | -68.2 | -85.7 | 0 | 0 | 0 | 107.5 | R14 G18 | R14-F16 PolarHBondContact O-N 2.99Å; F16-G18 PolarHBondContact O-N 2.76Å |
| 17 | L | 51.4 | Low | 53 | Low | 172 Ų | 172 | 158.6 Ų | 158.6 | 90% | 0.901 | 81% | 0.809 | S | S | * | * | | | trans | -76.7 | 58.5 | 176 | -167 | 68.7 | 0 | 0 | 0 | 109.4 | Y15 | Y15-L17 PolarHBondContact O-N 3.12Š|
| 18 | G | 47.6 | Very low | 53.4 | Low | 73 Ų | 73 | 157.6 Ų | 157.6 | 75% | 0.753 | 81% | 0.809 | S | S | * | * | | | trans | -99.7 | 76.2 | 170.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | F16 | F16-G18 PolarHBondContact O-N 2.76Š|
| 19 | G | 48.9 | Very low | 53.4 | Low | 69 Ų | 69 | 159.1 Ų | 159.1 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 126.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | R21 | G19-R21 PolarHBondContact O-N 3Š|
| 20 | D | 58 | Low | 53.9 | Low | 167 Ų | 167 | 160.1 Ų | 160.1 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -54.4 | 128.6 | 174.9 | -91.8 | -34.5 | 0 | 0 | 0 | 110.8 | P22 | D20-P22 WeakPolarHBondContact O-CD 3.37Š|
| 21 | R | 56.1 | Low | 54.1 | Low | 229 Ų | 229 | 154.1 Ų | 154.1 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 119.7 | 178 | -165.5 | 177.4 | -171.1 | 127.4 | -1.8 | 107.8 | G19 S23 | G19-R21 PolarHBondContact O-N 3Å; R21-S23 PolarHBondContact O-N 2.89Å |
| 22 | P | 57.4 | Low | 54.2 | Low | 119 Ų | 119 | 151.6 Ų | 151.6 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | | | trans | -64.6 | 106.8 | 178.4 | 23.9 | -31 | 0 | 0 | 0 | 109 | D20 Q24 | D20-P22 WeakPolarHBondContact O-CD 3.37Å; P22-Q24 PolarHBondContact O-N 2.88Å |
| 23 | S | 61.4 | Low | 54.4 | Low | 120 Ų | 120 | 146.2 Ų | 146.2 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -82.5 | 2 | -176.1 | 56 | 0 | 0 | 0 | 0 | 113.5 | R21 | R21-S23 PolarHBondContact O-N 2.89Š|
| 24 | Q | 58.4 | Low | 54.4 | Low | 181 Ų | 181 | 148.5 Ų | 148.5 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | | | trans | -119.4 | 85.1 | -170 | -150.3 | 165.9 | 12.5 | 0 | 0 | 110.9 | P22 A26 | P22-Q24 PolarHBondContact O-N 2.88Å; Q24-A26 PolarHBondContact O-N 2.85Å |
| 25 | T | 55.4 | Low | 54.7 | Low | 130 Ų | 130 | 145.5 Ų | 145.5 | 80% | 0.798 | 79% | 0.794 | S | S | * | * | | | trans | -69.5 | 113.6 | 167.2 | -48.6 | 0 | 0 | 0 | 0 | 108.3 | R27 | T25-R27 PolarHBondContact O-N 2.82Š|
| 26 | A | 59.2 | Low | 54.4 | Low | 82 Ų | 82 | 145.3 Ų | 145.3 | 68% | 0.678 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -58 | 124 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q24 L28 | Q24-A26 PolarHBondContact O-N 2.85Å; A26-L28 PolarHBondContact O-N 2.77Å |
| 27 | R | 53.3 | Low | 53.7 | Low | 245 Ų | 245 | 138.5 Ų | 138.5 | 93% | 0.925 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 117.9 | 175.9 | -64.2 | -168.3 | -175 | -163.9 | 2.9 | 108.4 | T25 T29 | T25-R27 PolarHBondContact O-N 2.82Å; R27-T29 PolarHBondContact O-N 2.85Å |
| 28 | L | 60.3 | Low | 53.4 | Low | 157 Ų | 157 | 141.3 Ų | 141.3 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 126.1 | 173.5 | -66.1 | 172.5 | 0 | 0 | 0 | 108.9 | A26 V30 | A26-L28 PolarHBondContact O-N 2.77Å; L28-V30 PolarHBondContact O-N 2.9Å; L28-V30 VanDerWaalsContact O-N 3.09Å |
| 29 | T | 55.3 | Low | 53.1 | Low | 140 Ų | 140 | 148.2 Ų | 148.2 | 86% | 0.859 | 79% | 0.788 | S | S | * | * | | | trans | -59.2 | 110.9 | 171.6 | -53.8 | 0 | 0 | 0 | 0 | 108.7 | R27 S31 | R27-T29 PolarHBondContact O-N 2.85Å; T29-S31 PolarHBondContact O-N 3.2Å |
| 30 | V | 55.6 | Low | 53.2 | Low | 134 Ų | 134 | 152.2 Ų | 152.2 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | | | trans | -71.6 | 111.9 | 173 | 179 | 0 | 0 | 0 | 0 | 107.2 | L28 | L28-V30 PolarHBondContact O-N 2.9Å; L28-V30 VanDerWaalsContact O-N 3.09Å |
| 31 | S | 55.3 | Low | 52.3 | Low | 74 Ų | 74 | 149.2 Ų | 149.2 | 52% | 0.517 | 77% | 0.774 | S | S | . | * | | | trans | -71.7 | 132.6 | 171.4 | 88.6 | 0 | 0 | 0 | 0 | 108.7 | T29 D33 | T29-S31 PolarHBondContact O-N 3.2Å; S31-D33 PolarHBondContact O-N 2.75Å; S31-D33 PolarHBondContact OG-OD2 2.84Å |
| 32 | P | 50 | Low | 52.1 | Low | 126 Ų | 126 | 143.6 Ų | 143.6 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | | | trans | -81.4 | 49.2 | 174 | 35 | -34.1 | 0 | 0 | 0 | 109.9 | Q34 | P32-Q34 PolarHBondContact O-N 3.19Å; P32-Q34 VanDerWaalsContact O-N 3.12Å |
| 33 | D | 51.5 | Low | 51.5 | Low | 122 Ų | 122 | 144.8 Ų | 144.8 | 65% | 0.652 | 76% | 0.76 | S | S | * | * | | | trans | -82.8 | 94.9 | 171.3 | -67.9 | -45.6 | 0 | 0 | 0 | 107.5 | S31 I35 | S31-D33 PolarHBondContact O-N 2.75Å; S31-D33 PolarHBondContact OG-OD2 2.84Å; D33-I35 VanDerWaalsContact C-N 3.29Å; D33-I35 WeakPolarHBondContact O-CG1 3.21Å; D33-I35 PolarHBondContact O-N 2.85Å |
| 34 | Q | 48.4 | Very low | 51 | Low | 173 Ų | 173 | 146.7 Ų | 146.7 | 81% | 0.808 | 76% | 0.756 | S | S | * | * | | | trans | -62.6 | 89.4 | 173.3 | -168.9 | 173.9 | 34 | 0 | 0 | 108.4 | P32 H36 | P32-Q34 PolarHBondContact O-N 3.19Å; P32-Q34 VanDerWaalsContact O-N 3.12Å; Q34-H36 HydrophobicContact CG-CB 4.49Å; Q34-H36 PolarHBondContact O-N 3.09Å |
| 35 | I | 56.4 | Low | 50.6 | Low | 155 Ų | 155 | 143.6 Ų | 143.6 | 80% | 0.795 | 75% | 0.754 | S | S | * | * | | | trans | -73.9 | 63.6 | 176.6 | -42.8 | 179.2 | 0 | 0 | 0 | 109 | D33 | D33-I35 VanDerWaalsContact C-N 3.29Å; D33-I35 WeakPolarHBondContact O-CG1 3.21Å; D33-I35 PolarHBondContact O-N 2.85Å |
| 36 | H | 46.9 | Very low | 50.1 | Low | 181 Ų | 181 | 147.1 Ų | 147.1 | 84% | 0.838 | 76% | 0.758 | S | S | * | * | | | trans | -110.6 | 69.4 | 164.6 | -99.1 | 71.5 | 0 | 0 | 0 | 107.8 | Q34 | Q34-H36 HydrophobicContact CG-CB 4.49Å; Q34-H36 PolarHBondContact O-N 3.09Å |
| 37 | G | 42 | Very low | 49.5 | Very low | 60 Ų | 60 | 146.6 Ų | 146.6 | 62% | 0.619 | 76% | 0.76 | S | S | * | * | | | trans | -144.8 | 95.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 38 | R | 44.4 | Very low | 49.3 | Very low | 231 Ų | 231 | 138.2 Ų | 138.2 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | | | trans | 68.1 | 92.8 | 168.6 | -58.9 | -176.9 | 178.8 | -117.7 | -1.4 | 115.3 | L40 | R38-L40 VanDerWaalsContact C-N 3.29Å; R38-L40 PolarHBondContact O-N 2.79Å |
| 39 | R | 41.9 | Very low | 48.8 | Very low | 217 Ų | 217 | 138.6 Ų | 138.6 | 82% | 0.819 | 75% | 0.752 | S | S | * | * | | | trans | -9 | 79.5 | 138.3 | -171.5 | -179.8 | 178.1 | -172.3 | 0.2 | 113.8 | E41 | R39-E41 HydrophobicContact CG-CB 4.39Å; R39-E41 HydrophobicContact CG-CG 4.34Å; R39-E41 IonicContact CZ-OE2 2.88Å; R39-E41 IonicContact NE-OE2 3.45Å; R39-E41 PolarHBondContact NE-OE2 3.14Å; R39-E41 IonicContact NH2-OE2 3.88Å; R39-E41 PolarHBondContact NH2-OE2 2.91Å; R39-E41 PolarHBondContact O-N 2.76Å |
| 40 | L | 49.4 | Very low | 48.8 | Very low | 154 Ų | 154 | 136.6 Ų | 136.6 | 81% | 0.806 | 74% | 0.741 | S | S | * | * | | | trans | -87.1 | 61.5 | 164.1 | -74.4 | 169.1 | 0 | 0 | 0 | 107.1 | R38 T42 | R38-L40 VanDerWaalsContact C-N 3.29Å; R38-L40 PolarHBondContact O-N 2.79Å; L40-T42 PolarHBondContact O-N 2.86Å |
| 41 | E | 40.3 | Very low | 48.8 | Very low | 104 Ų | 104 | 142.5 Ų | 142.5 | 49% | 0.486 | 75% | 0.749 | S | S | . | * | | | trans | -68.1 | 84.3 | 159.1 | -91.1 | -170.6 | 114.3 | 0 | 0 | 106.5 | R39 Q43 | R39-E41 HydrophobicContact CG-CB 4.39Å; R39-E41 HydrophobicContact CG-CG 4.34Å; R39-E41 IonicContact CZ-OE2 2.88Å; R39-E41 IonicContact NE-OE2 3.45Å; R39-E41 PolarHBondContact NE-OE2 3.14Å; R39-E41 IonicContact NH2-OE2 3.88Å; R39-E41 PolarHBondContact NH2-OE2 2.91Å; R39-E41 PolarHBondContact O-N 2.76Å; E41-Q43 HydrophobicContact CB-CG 4.35Å; E41-Q43 PolarHBondContact O-N 3.3Å; E41-Q43 PolarHBondContact OE1-NE2 2.92Å |
| 42 | T | 52.2 | Low | 49.1 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 68% | 0.675 | 76% | 0.758 | S | S | * | * | | | trans | -72.2 | 78 | 156.3 | 52.5 | 0 | 0 | 0 | 0 | 105.9 | L40 Q44 | L40-T42 PolarHBondContact O-N 2.86Å; T42-Q44 PolarHBondContact O-N 3.13Å |
| 43 | Q | 45.1 | Very low | 49.1 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 67% | 0.673 | 76% | 0.755 | S | S | * | * | | | trans | -58.1 | 92.1 | 163.9 | -77.2 | -74.4 | -28.9 | 0 | 0 | 105.5 | E41 S45 | E41-Q43 HydrophobicContact CB-CG 4.35Å; E41-Q43 PolarHBondContact O-N 3.3Å; E41-Q43 PolarHBondContact OE1-NE2 2.92Å; Q43-S45 PolarHBondContact O-N 3.42Å |
| 44 | Q | 50 | Low | 49.1 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | | | trans | -67 | 93.8 | 170.6 | -69.5 | -171.3 | 12.6 | 0 | 0 | 105.8 | T42 K46 | T42-Q44 PolarHBondContact O-N 3.13Å; Q44-K46 VanDerWaalsContact C-N 3.27Å; Q44-K46 PolarHBondContact O-N 3.25Å |
| 45 | S | 50.3 | Low | 49.5 | Very low | 115 Ų | 115 | 145.3 Ų | 145.3 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | | | trans | -62.6 | 94.7 | 169 | 39.4 | 0 | 0 | 0 | 0 | 107.5 | Q43 G47 | Q43-S45 PolarHBondContact O-N 3.42Å; S45-G47 PolarHBondContact O-N 3.06Å |
| 46 | K | 43.7 | Very low | 49.1 | Very low | 205 Ų | 205 | 146.7 Ų | 146.7 | 89% | 0.891 | 77% | 0.765 | S | S | * | * | | | trans | -66.6 | 78.8 | 168.1 | -104.4 | 175.4 | 176.2 | 174.5 | 0 | 107.9 | Q44 | Q44-K46 VanDerWaalsContact C-N 3.27Å; Q44-K46 PolarHBondContact O-N 3.25Å |
| 47 | G | 48.4 | Very low | 49 | Very low | 70 Ų | 70 | 146 Ų | 146 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 134.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | S45 | S45-G47 PolarHBondContact O-N 3.06Š|
| 48 | G | 48.1 | Very low | 49.1 | Very low | 70 Ų | 70 | 149 Ų | 149 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67 | 156.6 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 49 | I | 49.8 | Very low | 49.3 | Very low | 164 Ų | 164 | 142.3 Ų | 142.3 | 84% | 0.841 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 123.1 | -176.8 | -58.8 | 169.2 | 0 | 0 | 0 | 109.6 | R51 | I49-R51 PolarHBondContact O-N 3.21Š|
| 50 | P | 55.3 | Low | 49.3 | Very low | 98 Ų | 98 | 138.9 Ų | 138.9 | 64% | 0.636 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 128.5 | 180 | 23.2 | -30.7 | 0 | 0 | 0 | 109.9 | V52 | P50-V52 HydrophobicContact CB-CG2 4.42Å; P50-V52 PolarHBondContact O-N 3.43Å |
| 51 | R | 55.9 | Low | 49.3 | Very low | 259 Ų | 259 | 140.3 Ų | 140.3 | 98% | 0.977 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -73.9 | -1.4 | 175.8 | -115.4 | -170.6 | -69.2 | -147.4 | 0.8 | 113.6 | I49 | I49-R51 PolarHBondContact O-N 3.21Š|
| 52 | V | 61.7 | Low | 49.3 | Very low | 116 Ų | 116 | 141.7 Ų | 141.7 | 70% | 0.703 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -113.7 | 130.9 | -177.8 | -86.7 | 0 | 0 | 0 | 0 | 110.5 | P50 | P50-V52 HydrophobicContact CB-CG2 4.42Å; P50-V52 PolarHBondContact O-N 3.43Å |
| 53 | T | 49.8 | Very low | 49.2 | Very low | 125 Ų | 125 | 141.2 Ų | 141.2 | 77% | 0.767 | 77% | 0.768 | S | S | * | * | | | trans | -64.6 | 132.2 | -179.1 | -26.9 | 0 | 0 | 0 | 0 | 110.1 | Q55 | T53-Q55 PolarHBondContact O-N 3.21Š|
| 54 | P | 52.2 | Low | 49.1 | Very low | 115 Ų | 115 | 142 Ų | 142 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | | | trans | -60.2 | 120.8 | 179.1 | -9.2 | 15.3 | 0 | 0 | 0 | 111 | K56 | P54-K56 PolarHBondContact O-N 2.87Å; P54-K56 VanDerWaalsContact O-N 3.08Å |
| 55 | Q | 55 | Low | 48.8 | Very low | 197 Ų | 197 | 138.8 Ų | 138.8 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | | | trans | -80.5 | 29.3 | 178.6 | -68.9 | -160.9 | 0.8 | 0 | 0 | 114.2 | T53 | T53-Q55 PolarHBondContact O-N 3.21Š|
| 56 | K | 49 | Very low | 48.7 | Very low | 185 Ų | 185 | 139.6 Ų | 139.6 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | | | trans | -115.7 | 84.3 | 176.4 | -144.3 | 169.9 | -173.8 | 176 | 0 | 109.9 | P54 T58 | P54-K56 PolarHBondContact O-N 2.87Å; P54-K56 VanDerWaalsContact O-N 3.08Å; K56-T58 PolarHBondContact O-N 3.08Å |
| 57 | L | 44 | Very low | 48.6 | Very low | 167 Ų | 167 | 136.1 Ų | 136.1 | 87% | 0.874 | 76% | 0.762 | S | S | * | * | | | trans | -48 | 107.6 | 161.9 | -65.7 | 168.8 | 0 | 0 | 0 | 107 | P59 | L57-P59 WeakPolarHBondContact O-CD 3.4Š|
| 58 | T | 45.5 | Very low | 48.1 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | -65.1 | 118.5 | 174.2 | -44.5 | 0 | 0 | 0 | 0 | 105.7 | K56 L60 | K56-T58 PolarHBondContact O-N 3.08Å; T58-L60 PolarHBondContact O-N 3.19Å |
| 59 | P | 48.6 | Very low | 47.3 | Very low | 90 Ų | 90 | 146.7 Ų | 146.7 | 58% | 0.584 | 77% | 0.771 | S | S | * | * | | | trans | -62.5 | 119.4 | -179.8 | 25.5 | -31.4 | 0 | 0 | 0 | 107.1 | L57 F61 | L57-P59 WeakPolarHBondContact O-CD 3.4Å; P59-F61 HydrophobicContact CG-CE2 4.19Å; P59-F61 WeakPolarHBondContact O-CD2 3.3Å; P59-F61 PolarHBondContact O-N 3.32Å |
| 60 | L | 41.9 | Very low | 46.8 | Very low | 145 Ų | 145 | 147.1 Ų | 147.1 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | | | trans | 5 | 58.9 | 151.3 | -146 | 108.2 | 0 | 0 | 0 | 116.7 | T58 L62 | T58-L60 PolarHBondContact O-N 3.19Å; L60-L62 HydrophobicContact CD2-CD1 3.68Å; L60-L62 HydrophobicContact CD2-CG 3.87Å; L60-L62 HydrophobicContact CG-CG 4.32Å; L60-L62 PolarHBondContact O-N 2.98Å |
| 61 | F | 47.7 | Very low | 46.1 | Very low | 185 Ų | 185 | 147.8 Ų | 147.8 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | | | trans | -81 | 83.8 | 164.6 | -75.7 | -67.2 | 0 | 0 | 0 | 106.4 | P59 S63 | P59-F61 HydrophobicContact CG-CE2 4.19Å; P59-F61 WeakPolarHBondContact O-CD2 3.3Å; P59-F61 PolarHBondContact O-N 3.32Å; F61-S63 PolarHBondContact O-N 2.91Å; F61-S63 VanDerWaalsContact O-N 3.14Å |
| 62 | L | 42 | Very low | 45.5 | Very low | 132 Ų | 132 | 145.2 Ų | 145.2 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | | | trans | -46.2 | 115.6 | 165.2 | -75.5 | 156.2 | 0 | 0 | 0 | 109.1 | L60 | L60-L62 HydrophobicContact CD2-CD1 3.68Å; L60-L62 HydrophobicContact CD2-CG 3.87Å; L60-L62 HydrophobicContact CG-CG 4.32Å; L60-L62 PolarHBondContact O-N 2.98Å |
| 63 | S | 49.5 | Very low | 44.3 | Very low | 101 Ų | 101 | 150.9 Ų | 150.9 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | | | trans | 47.4 | 75.4 | 143.4 | 63.5 | 0 | 0 | 0 | 0 | 117 | F61 | F61-S63 PolarHBondContact O-N 2.91Å; F61-S63 VanDerWaalsContact O-N 3.14Å |
| 64 | L | 42 | Very low | 43.6 | Very low | 159 Ų | 159 | 152.4 Ų | 152.4 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | | | trans | -129.7 | 123.7 | 146.6 | -72.3 | 176.9 | 0 | 0 | 0 | 109.3 | | |
| 65 | P | 44.3 | Very low | 43.3 | Very low | 94 Ų | 94 | 152 Ų | 152 | 61% | 0.61 | 77% | 0.772 | S | S | * | * | | | trans | -63.1 | 133.2 | 172.6 | 25.7 | -30.8 | 0 | 0 | 0 | 108.8 | I67 | P65-I67 VanDerWaalsContact C-N 3.31Å; P65-I67 HydrophobicContact CB-CD1 4.49Å; P65-I67 HydrophobicContact CB-CG1 4.29Å; P65-I67 HydrophobicContact CG-CD1 4.17Å; P65-I67 HydrophobicContact CG-CG1 4.39Å; P65-I67 PolarHBondContact O-N 3.08Å |
| 66 | P | 47.6 | Very low | 42.6 | Very low | 133 Ų | 133 | 150.4 Ų | 150.4 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -73.5 | 83.1 | -176.5 | 30.3 | -34.6 | 0 | 0 | 0 | 109.7 | | |
| 67 | I | 43.2 | Very low | 42.3 | Very low | 132 Ų | 132 | 152.9 Ų | 152.9 | 68% | 0.677 | 77% | 0.773 | S | S | * | * | | | trans | -89.1 | -22.1 | -178.4 | -62 | -179.9 | 0 | 0 | 0 | 112.1 | P65 | P65-I67 VanDerWaalsContact C-N 3.31Å; P65-I67 HydrophobicContact CB-CD1 4.49Å; P65-I67 HydrophobicContact CB-CG1 4.29Å; P65-I67 HydrophobicContact CG-CD1 4.17Å; P65-I67 HydrophobicContact CG-CG1 4.39Å; P65-I67 PolarHBondContact O-N 3.08Å |
| 68 | L | 36.4 | Very low | 41.8 | Very low | 165 Ų | 165 | 151.1 Ų | 151.1 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | | | trans | -149.2 | 69.5 | -174.8 | -67.4 | 173 | 0 | 0 | 0 | 114.1 | | |
| 69 | Y | 31.9 | Very low | 41.7 | Very low | 197 Ų | 197 | 152 Ų | 152 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | | | trans | -123.5 | 70 | 157.2 | -150.6 | -98.2 | 0 | 0 | 0 | 110.4 | N71 | Y69-N71 WeakPolarHBondContact CE1-ND2 3.34Å; Y69-N71 VanDerWaalsContact CE1-OD1 3.3Å; Y69-N71 WeakPolarHBondContact CE1-OD1 3.15Å |
| 70 | M | 39.1 | Very low | 41.5 | Very low | 173 Ų | 173 | 150.9 Ų | 150.9 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | | | trans | -95.9 | 108 | 159.8 | -80.3 | -128.8 | 178.7 | 0 | 0 | 107.9 | Y72 | M70-Y72 VanDerWaalsContact C-N 3.3Å; M70-Y72 PolarHBondContact O-N 3.27Å |
| 71 | N | 41.1 | Very low | 41.2 | Very low | 112 Ų | 112 | 151.9 Ų | 151.9 | 60% | 0.599 | 78% | 0.784 | S | S | * | * | | | trans | -64.7 | 90.4 | 167.7 | -81.4 | -34.3 | 0 | 0 | 0 | 108.9 | Y69 R73 | Y69-N71 WeakPolarHBondContact CE1-ND2 3.34Å; Y69-N71 VanDerWaalsContact CE1-OD1 3.3Å; Y69-N71 WeakPolarHBondContact CE1-OD1 3.15Å; N71-R73 PolarHBondContact O-N 2.89Å |
| 72 | Y | 42.3 | Very low | 40.6 | Very low | 205 Ų | 205 | 153.2 Ų | 153.2 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | | | trans | -66.6 | 89.3 | 164.1 | -117.4 | -95.1 | 0 | 0 | 0 | 107.7 | M70 I74 | M70-Y72 VanDerWaalsContact C-N 3.3Å; M70-Y72 PolarHBondContact O-N 3.27Å; Y72-I74 VanDerWaalsContact C-N 3.33Å; Y72-I74 PolarHBondContact O-N 3.06Å; Y72-I74 VanDerWaalsContact O-N 3.08Å |
| 73 | R | 38.3 | Very low | 40.4 | Very low | 235 Ų | 235 | 153.9 Ų | 153.9 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -73.4 | 98.5 | 162.2 | -65.1 | -175.5 | 95.1 | 178.5 | 6.1 | 106.1 | N71 S75 | N71-R73 PolarHBondContact O-N 2.89Å; R73-S75 PolarHBondContact O-N 3.37Å |
| 74 | I | 34.4 | Very low | 40.2 | Very low | 156 Ų | 156 | 152.1 Ų | 152.1 | 80% | 0.8 | 80% | 0.797 | S | S | * | * | | | trans | -41.3 | 117.7 | 172.5 | -66.1 | 156.8 | 0 | 0 | 0 | 110 | Y72 | Y72-I74 VanDerWaalsContact C-N 3.33Å; Y72-I74 PolarHBondContact O-N 3.06Å; Y72-I74 VanDerWaalsContact O-N 3.08Å |
| 75 | S | 45.7 | Very low | 40.1 | Very low | 108 Ų | 108 | 150.9 Ų | 150.9 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | | | trans | -151.8 | 56 | 161.8 | -140.6 | 0 | 0 | 0 | 0 | 110.1 | R73 R77 | R73-S75 PolarHBondContact O-N 3.37Å; S75-R77 PolarHBondContact O-N 3.47Å |
| 76 | L | 40.3 | Very low | 39.7 | Very low | 162 Ų | 162 | 152.6 Ų | 152.6 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | | | trans | -92.3 | 86 | 164.8 | -78.5 | 166.8 | 0 | 0 | 0 | 107.7 | V78 | L76-V78 PolarHBondContact O-N 2.98Š|
| 77 | R | 43.4 | Very low | 39.4 | Very low | 238 Ų | 238 | 153.5 Ų | 153.5 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | | | trans | -64.9 | 101.7 | 161.3 | -95.8 | -177.7 | 171.2 | -166.6 | -2.5 | 108 | S75 | S75-R77 PolarHBondContact O-N 3.47Š|
| 78 | V | 32.9 | Very low | 39.2 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 79% | 0.788 | 80% | 0.803 | S | S | * | * | | | trans | 3.4 | 121.3 | 141.4 | -172.7 | 0 | 0 | 0 | 0 | 115 | L76 | L76-V78 PolarHBondContact O-N 2.98Š|
| 79 | T | 43.5 | Very low | 39.7 | Very low | 140 Ų | 140 | 149.4 Ų | 149.4 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | | | | 152.2 | 99.2 | 124.3 | -56.4 | 0 | 0 | 0 | 0 | 108.6 | | |
| 80 | G | 44.1 | Very low | 40 | Very low | 66 Ų | 66 | 143.2 Ų | 143.2 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | | | trans | -176.8 | 67.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | | |
| 81 | I | 35.9 | Very low | 40 | Very low | 167 Ų | 167 | 146 Ų | 146 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | | | trans | 43.8 | 97.8 | 151 | 53.7 | 171.7 | 0 | 0 | 0 | 118.2 | | |
| 82 | F | 34.3 | Very low | 39.8 | Very low | 213 Ų | 213 | 147.4 Ų | 147.4 | 93% | 0.934 | 80% | 0.799 | S | S | * | * | | | trans | -56.4 | 127.3 | 155.5 | -88 | -105 | 0 | 0 | 0 | 110.8 | | |
| 83 | T | 37.9 | Very low | 39.7 | Very low | 145 Ų | 145 | 146.3 Ų | 146.3 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | | | trans | -172.8 | 123.5 | 137 | 10.7 | 0 | 0 | 0 | 0 | 112.7 | | |
| 84 | G | 45.5 | Very low | 39.9 | Very low | 64 Ų | 64 | 145.7 Ų | 145.7 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | | | trans | 89.6 | 76.1 | 144.8 | 0 | 0 | 0 | 0 | 0 | 118.5 | T86 | G84-T86 VanDerWaalsContact C-N 3.3Å; G84-T86 PolarHBondContact O-N 3.24Å |
| 85 | T | 40.6 | Very low | 40.4 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 82% | 0.822 | 81% | 0.806 | S | S | * | * | | | trans | -55.4 | 91.5 | 148.9 | 35.5 | 0 | 0 | 0 | 0 | 110 | I87 | T85-I87 PolarHBondContact O-N 3.05Š|
| 86 | T | 34.7 | Very low | 40.7 | Very low | 130 Ų | 130 | 147.5 Ų | 147.5 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | | | trans | -89.9 | 87.8 | 161 | 46 | 0 | 0 | 0 | 0 | 107.4 | G84 S88 | G84-T86 VanDerWaalsContact C-N 3.3Å; G84-T86 PolarHBondContact O-N 3.24Å; T86-S88 PolarHBondContact O-N 2.78Å |
| 87 | I | 42.4 | Very low | 41.2 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 77% | 0.774 | 81% | 0.805 | S | S | * | * | | | trans | -67.7 | 85.1 | 168.8 | -37.5 | 167.6 | 0 | 0 | 0 | 105.5 | T85 P89 | T85-I87 PolarHBondContact O-N 3.05Å; I87-P89 WeakPolarHBondContact O-CD 3.2Å |
| 88 | S | 39.6 | Very low | 41.4 | Very low | 104 Ų | 104 | 139.7 Ų | 139.7 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -87.1 | 102.4 | 164.9 | -178.9 | 0 | 0 | 0 | 0 | 106.3 | T86 G90 | T86-S88 PolarHBondContact O-N 2.78Å; S88-G90 PolarHBondContact O-N 2.85Å |
| 89 | P | 45.2 | Very low | 42.2 | Very low | 108 Ų | 108 | 144.9 Ų | 144.9 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | | | trans | -68.6 | 84.5 | 172.3 | 29.3 | -33.6 | 0 | 0 | 0 | 107.8 | I87 R91 | I87-P89 WeakPolarHBondContact O-CD 3.2Å; P89-R91 PolarHBondContact O-N 3.14Å; P89-R91 VanDerWaalsContact O-N 3.07Å |
| 90 | G | 38.8 | Very low | 42.5 | Very low | 67 Ų | 67 | 147.6 Ų | 147.6 | 69% | 0.691 | 79% | 0.794 | S | S | * | * | | | trans | -53.1 | 116.8 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | S88 L92 | S88-G90 PolarHBondContact O-N 2.85Å; G90-L92 PolarHBondContact O-N 2.84Å |
| 91 | R | 39.5 | Very low | 42.6 | Very low | 231 Ų | 231 | 147.9 Ų | 147.9 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | | | trans | -54 | 126.3 | -174.3 | -61.9 | 175.1 | 108.6 | -161.8 | 4.3 | 111.1 | P89 | P89-R91 PolarHBondContact O-N 3.14Å; P89-R91 VanDerWaalsContact O-N 3.07Å |
| 92 | L | 37.4 | Very low | 43.7 | Very low | 141 Ų | 141 | 147.4 Ų | 147.4 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | | | trans | 55.4 | 103 | 146.4 | -63.5 | 166.6 | 0 | 0 | 0 | 117.5 | G90 R94 | G90-L92 PolarHBondContact O-N 2.84Å; L92-R94 VanDerWaalsContact C-N 3.34Å; L92-R94 PolarHBondContact O-N 2.67Å |
| 93 | L | 38.7 | Very low | 45 | Very low | 182 Ų | 182 | 147.4 Ų | 147.4 | 95% | 0.953 | 78% | 0.781 | S | S | * | * | | | | 23 | 65.5 | 123.3 | -77.1 | 160.3 | 0 | 0 | 0 | 115.9 | | |
| 94 | R | 43.3 | Very low | 46 | Very low | 223 Ų | 223 | 145.2 Ų | 145.2 | 84% | 0.842 | 78% | 0.777 | S | S | * | * | | | trans | -126.3 | 126.8 | 155.2 | -74.2 | -173.5 | 83.3 | -157.4 | 6.8 | 106.9 | L92 | L92-R94 VanDerWaalsContact C-N 3.34Å; L92-R94 PolarHBondContact O-N 2.67Å |
| 95 | Q | 44.2 | Very low | 46.4 | Very low | 179 Ų | 179 | 145.5 Ų | 145.5 | 84% | 0.836 | 78% | 0.78 | S | S | * | * | | | trans | 87 | 77.8 | 174.4 | -51.2 | 174.8 | -17.1 | 0 | 0 | 113.9 | P97 | Q95-P97 VanDerWaalsContact O-CD 3.28Å; Q95-P97 WeakPolarHBondContact O-CD 3.28Å |
| 96 | C | 53.7 | Low | 47.1 | Very low | 122 Ų | 122 | 147.9 Ų | 147.9 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | | | trans | -73.1 | 108.3 | 146.5 | -170.6 | 0 | 0 | 0 | 0 | 106.5 | N98 | C96-N98 PolarHBondContact O-N 3.45Š|
| 97 | P | 49.5 | Very low | 48.2 | Very low | 116 Ų | 116 | 149.3 Ų | 149.3 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | | | trans | -85.6 | 66.2 | -170.7 | 32 | -25.7 | 0 | 0 | 0 | 109.6 | Q95 R99 | Q95-P97 VanDerWaalsContact O-CD 3.28Å; Q95-P97 WeakPolarHBondContact O-CD 3.28Å; P97-R99 PolarHBondContact O-N 3.46Å |
| 98 | N | 47.1 | Very low | 48.9 | Very low | 121 Ų | 121 | 150.1 Ų | 150.1 | 65% | 0.647 | 79% | 0.79 | S | S | * | * | | | trans | -83.8 | 59.5 | 170 | -159.5 | 3.3 | 0 | 0 | 0 | 109.8 | C96 Y100 | C96-N98 PolarHBondContact O-N 3.45Å; N98-Y100 PolarHBondContact O-N 3.35Å; N98-Y100 VanDerWaalsContact OD1-CD2 3.29Å; N98-Y100 WeakPolarHBondContact OD1-CD2 3.08Å; N98-Y100 WeakPolarHBondContact OD1-CE2 3.04Å |
| 99 | R | 51.2 | Low | 49.6 | Very low | 239 Ų | 239 | 150.1 Ų | 150.1 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | | | trans | -90.8 | 86.9 | 174.2 | -88 | -171 | 176.3 | -178.3 | -0.6 | 109 | P97 A101 | P97-R99 PolarHBondContact O-N 3.46Å; R99-A101 PolarHBondContact O-N 2.98Å |
| 100 | Y | 48.4 | Very low | 49.8 | Very low | 197 Ų | 197 | 152 Ų | 152 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | | | trans | -63.7 | 103.6 | 156.9 | -76.1 | -83.2 | 0 | 0 | 0 | 108 | N98 I102 | N98-Y100 PolarHBondContact O-N 3.35Å; N98-Y100 VanDerWaalsContact OD1-CD2 3.29Å; N98-Y100 WeakPolarHBondContact OD1-CD2 3.08Å; N98-Y100 WeakPolarHBondContact OD1-CE2 3.04Å; Y100-I102 PolarHBondContact O-N 2.75Å; Y100-I102 VanDerWaalsContact O-N 3.14Å |
| 101 | A | 47.6 | Very low | 50.4 | Low | 71 Ų | 71 | 158.4 Ų | 158.4 | 59% | 0.587 | 80% | 0.8 | S | S | * | * | | | trans | -76.7 | 94.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | R99 R103 | R99-A101 PolarHBondContact O-N 2.98Å; A101-R103 PolarHBondContact O-N 3.14Å |
| 102 | I | 58.1 | Low | 51 | Low | 157 Ų | 157 | 153.3 Ų | 153.3 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | | | trans | -75.1 | 107.8 | 168.8 | -58.6 | 173.2 | 0 | 0 | 0 | 106.8 | Y100 | Y100-I102 PolarHBondContact O-N 2.75Å; Y100-I102 VanDerWaalsContact O-N 3.14Å |
| 103 | R | 62.1 | Low | 51.7 | Low | 214 Ų | 214 | 155.6 Ų | 155.6 | 81% | 0.808 | 79% | 0.791 | S | S | * | * | | | trans | -78.1 | 120 | 170.2 | -61.4 | -68.8 | -175.3 | -143.4 | 0.2 | 107.1 | A101 G105 | A101-R103 PolarHBondContact O-N 3.14Å; R103-G105 PolarHBondContact O-N 3.05Å |
| 104 | A | 58.9 | Low | 52.8 | Low | 98 Ų | 98 | 156.1 Ų | 156.1 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | | | trans | -60.4 | 111.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | Q106 | A104-Q106 PolarHBondContact O-N 3.38Š|
| 105 | G | 52.9 | Low | 52.8 | Low | 70 Ų | 70 | 155.9 Ų | 155.9 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | | | trans | -62 | 131.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | R103 | R103-G105 PolarHBondContact O-N 3.05Š|
| 106 | Q | 57 | Low | 53.4 | Low | 185 Ų | 185 | 153.7 Ų | 153.7 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | | | trans | -47.8 | 140.9 | 178 | -77 | 168.4 | -20.2 | 0 | 0 | 111.3 | A104 L108 | A104-Q106 PolarHBondContact O-N 3.38Å; Q106-L108 PolarHBondContact O-N 3.05Å |
| 107 | N | 56 | Low | 53.4 | Low | 159 Ų | 159 | 159.5 Ų | 159.5 | 85% | 0.85 | 78% | 0.779 | S | S | * | * | | | trans | -41.6 | 108.7 | 172.6 | -61.1 | -35.3 | 0 | 0 | 0 | 109.7 | P109 | N107-P109 WeakPolarHBondContact O-CD 3.29Š|
| 108 | L | 57.5 | Low | 53.6 | Low | 169 Ų | 169 | 159.6 Ų | 159.6 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | | | trans | -69.2 | 107.9 | 166.1 | -97.5 | 148.1 | 0 | 0 | 0 | 106.3 | Q106 D110 | Q106-L108 PolarHBondContact O-N 3.05Å; L108-D110 PolarHBondContact O-N 3.07Å |
| 109 | P | 54 | Low | 54.1 | Low | 104 Ų | 104 | 159.4 Ų | 159.4 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | | | trans | -75.1 | 122.1 | -179.5 | 30.8 | -28.2 | 0 | 0 | 0 | 108.8 | N107 K111 | N107-P109 WeakPolarHBondContact O-CD 3.29Å; P109-K111 PolarHBondContact O-N 2.94Å |
| 110 | D | 50.9 | Low | 54.2 | Low | 146 Ų | 146 | 154.6 Ų | 154.6 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | | | trans | 33.3 | 59.7 | 142.9 | -78.2 | -10.5 | 0 | 0 | 0 | 117.4 | L108 | L108-D110 PolarHBondContact O-N 3.07Š|
| 111 | K | 50.1 | Low | 54.3 | Low | 202 Ų | 202 | 151.4 Ų | 151.4 | 88% | 0.878 | 77% | 0.772 | S | S | * | * | | | trans | -107.2 | 70.9 | 155.1 | -64.9 | -163.8 | -177.6 | -175.8 | 0 | 109.4 | P109 | P109-K111 PolarHBondContact O-N 2.94Š|
| 112 | E | 52.3 | Low | 54.4 | Low | 125 Ų | 125 | 153.7 Ų | 153.7 | 58% | 0.584 | 78% | 0.779 | S | S | * | * | | | trans | -11.9 | 119.6 | 157.8 | -58.8 | 174.7 | 174.1 | 0 | 0 | 113.8 | R114 | E112-R114 HydrophobicContact CB-CG 4.44Å; E112-R114 PolarHBondContact O-N 3.35Å; E112-R114 IonicContact OE2-CZ 3.34Å; E112-R114 IonicContact OE2-NE 3.46Å; E112-R114 PolarHBondContact OE2-NE 2.97Å; E112-R114 IonicContact OE2-NH2 2.89Å; E112-R114 PolarHBondContact OE2-NH2 3.28Å |
| 113 | F | 53.2 | Low | 53.9 | Low | 188 Ų | 188 | 149.7 Ų | 149.7 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | | | trans | -58.9 | 75.3 | 170.8 | -68.4 | -96.7 | 0 | 0 | 0 | 111.7 | Y115 | F113-Y115 PolarHBondContact O-N 3.28Š|
| 114 | R | 60 | Low | 53.2 | Low | 194 Ų | 194 | 144.1 Ų | 144.1 | 73% | 0.732 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.6 | 6.4 | 178.6 | -77.9 | -171.1 | 178.7 | -170.4 | -1.2 | 115.1 | E112 | E112-R114 HydrophobicContact CB-CG 4.44Å; E112-R114 PolarHBondContact O-N 3.35Å; E112-R114 IonicContact OE2-CZ 3.34Å; E112-R114 IonicContact OE2-NE 3.46Å; E112-R114 PolarHBondContact OE2-NE 2.97Å; E112-R114 IonicContact OE2-NH2 2.89Å; E112-R114 PolarHBondContact OE2-NH2 3.28Å |
| 115 | Y | 44.7 | Very low | 52.8 | Low | 218 Ų | 218 | 143.6 Ų | 143.6 | 86% | 0.855 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.2 | 14.5 | -174.5 | -65.6 | -76.7 | 0 | 0 | 0 | 115.5 | F113 | F113-Y115 PolarHBondContact O-N 3.28Š|
| 116 | L | 55.7 | Low | 52.4 | Low | 133 Ų | 133 | 146.5 Ų | 146.5 | 70% | 0.696 | 75% | 0.75 | S | S | * | * | | | trans | -92.7 | 14.4 | 174.9 | -69.5 | 176.8 | 0 | 0 | 0 | 114.5 | T118 | L116-T118 VanDerWaalsContact C-N 3.27Å; L116-T118 PolarHBondContact O-N 2.83Å |
| 117 | R | 54.1 | Low | 51.6 | Low | 243 Ų | 243 | 148.2 Ų | 148.2 | 92% | 0.917 | 75% | 0.748 | S | S | * | * | | | trans | -75.4 | -12.6 | -178.3 | -150 | -179.2 | -166.1 | -160.7 | 3.7 | 114.4 | | |
| 118 | T | 53.8 | Low | 50.9 | Low | 118 Ų | 118 | 143.9 Ų | 143.9 | 72% | 0.724 | 74% | 0.741 | S | S | * | * | | | trans | -103.6 | 65.3 | 172.7 | 19.5 | 0 | 0 | 0 | 0 | 109.8 | L116 I120 | L116-T118 VanDerWaalsContact C-N 3.27Å; L116-T118 PolarHBondContact O-N 2.83Å; T118-I120 PolarHBondContact O-N 2.78Å |
| 119 | V | 58.6 | Low | 50.1 | Low | 117 Ų | 117 | 144.4 Ų | 144.4 | 71% | 0.709 | 74% | 0.737 | S | S | * | * | | | trans | -64.7 | 95.2 | 156.3 | 178.3 | 0 | 0 | 0 | 0 | 105.8 | V121 | V119-V121 PolarHBondContact O-N 2.87Å; V119-V121 VanDerWaalsContact O-N 3.12Å |
| 120 | I | 52.8 | Low | 49.4 | Very low | 139 Ų | 139 | 147.2 Ų | 147.2 | 71% | 0.713 | 75% | 0.746 | S | S | * | * | | | trans | -64.2 | 111.1 | 173 | -63.4 | 169.6 | 0 | 0 | 0 | 105.9 | T118 T122 | T118-I120 PolarHBondContact O-N 2.78Å; I120-T122 VanDerWaalsContact C-N 3.3Å; I120-T122 PolarHBondContact O-N 2.98Å |
| 121 | V | 49.7 | Very low | 48.9 | Very low | 129 Ų | 129 | 144.3 Ų | 144.3 | 78% | 0.782 | 74% | 0.737 | S | S | * | * | | | trans | -68.4 | 88.7 | 176.7 | 178.8 | 0 | 0 | 0 | 0 | 107.9 | V119 A123 | V119-V121 PolarHBondContact O-N 2.87Å; V119-V121 VanDerWaalsContact O-N 3.12Å; V121-A123 VanDerWaalsContact C-N 3.31Å; V121-A123 PolarHBondContact O-N 2.8Å |
| 122 | T | 50.3 | Low | 48.5 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | | | trans | -79.4 | 85 | 170.7 | -48.1 | 0 | 0 | 0 | 0 | 107.8 | I120 A124 | I120-T122 VanDerWaalsContact C-N 3.3Å; I120-T122 PolarHBondContact O-N 2.98Å; T122-A124 PolarHBondContact O-N 2.67Å |
| 123 | A | 46.6 | Very low | 48.2 | Very low | 73 Ų | 73 | 144.2 Ų | 144.2 | 60% | 0.603 | 75% | 0.746 | S | S | * | * | | | trans | -62.4 | 105.7 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | V121 V125 | V121-A123 VanDerWaalsContact C-N 3.31Å; V121-A123 PolarHBondContact O-N 2.8Å; A123-V125 PolarHBondContact O-N 2.83Å |
| 124 | A | 48.6 | Very low | 47.7 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 79% | 0.793 | 74% | 0.738 | S | S | * | * | | | trans | -67.8 | 79.6 | 174 | 0 | 0 | 0 | 0 | 0 | 109.2 | T122 H126 | T122-A124 PolarHBondContact O-N 2.67Å; A124-H126 PolarHBondContact O-N 3.36Å |
| 125 | V | 50 | Low | 46.9 | Very low | 87 Ų | 87 | 138.1 Ų | 138.1 | 53% | 0.527 | 74% | 0.742 | S | S | . | * | | | trans | -75 | 87.2 | 166.6 | -175.9 | 0 | 0 | 0 | 0 | 106.1 | A123 W127 | A123-V125 PolarHBondContact O-N 2.83Å; V125-W127 HydrophobicContact CB-CZ2 4.35Å; V125-W127 HydrophobicContact CG1-CD2 3.99Å; V125-W127 HydrophobicContact CG1-CE3 4.42Å; V125-W127 HydrophobicContact CG1-CH2 4.07Å; V125-W127 HydrophobicContact CG1-CZ2 3.59Å; V125-W127 HydrophobicContact CG1-CZ3 4.46Å; V125-W127 PolarHBondContact O-N 2.89Å; V125-W127 VanDerWaalsContact O-N 3.14Å; V125-W127 PolarHBondContact O-NE1 3.13Å |
| 126 | H | 44.3 | Very low | 46.9 | Very low | 132 Ų | 132 | 134 Ų | 134 | 61% | 0.611 | 73% | 0.734 | S | S | * | * | | | trans | -78.1 | 95.1 | 175.1 | -169.1 | -64.3 | 0 | 0 | 0 | 108.3 | A124 G128 F129 | A124-H126 PolarHBondContact O-N 3.36Å; H126-G128 PolarHBondContact O-N 2.95Å; H126-F129 AromaticContact CE1-CD2 3.36Å; H126-F129 WeakPolarHBondContact CE1-CD2 3.44Å; H126-F129 AromaticContact CE1-CE2 3.19Å; H126-F129 WeakPolarHBondContact CE1-CE2 3.03Å; H126-F129 AromaticContact NE2-CD2 3.95Å; H126-F129 AromaticContact NE2-CE2 3.28Å; H126-F129 VanDerWaalsContact NE2-CE2 3.28Å; H126-F129 WeakPolarHBondContact NE2-CE2 3.4Å |
| 127 | W | 40.1 | Very low | 46.2 | Very low | 220 Ų | 220 | 134.6 Ų | 134.6 | 83% | 0.833 | 74% | 0.737 | S | S | * | * | | | trans | -61.1 | 119.5 | 169.4 | -44 | 85.3 | 0 | 0 | 0 | 107.8 | V125 | V125-W127 HydrophobicContact CB-CZ2 4.35Å; V125-W127 HydrophobicContact CG1-CD2 3.99Å; V125-W127 HydrophobicContact CG1-CE3 4.42Å; V125-W127 HydrophobicContact CG1-CH2 4.07Å; V125-W127 HydrophobicContact CG1-CZ2 3.59Å; V125-W127 HydrophobicContact CG1-CZ3 4.46Å; V125-W127 PolarHBondContact O-N 2.89Å; V125-W127 VanDerWaalsContact O-N 3.14Å; V125-W127 PolarHBondContact O-NE1 3.13Å |
| 128 | G | 40.8 | Very low | 45.6 | Very low | 68 Ų | 68 | 129.6 Ų | 129.6 | 70% | 0.701 | 73% | 0.728 | S | S | * | * | | | trans | -58.1 | 142.2 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | H126 D130 | H126-G128 PolarHBondContact O-N 2.95Å; G128-D130 PolarHBondContact O-N 3.09Å |
| 129 | F | 41.6 | Very low | 44.7 | Very low | 181 Ų | 181 | 129.2 Ų | 129.2 | 79% | 0.794 | 73% | 0.725 | S | S | * | * | | | trans | -62.1 | 116 | 172.9 | -77.6 | -84.2 | 0 | 0 | 0 | 110.5 | H126 S131 | H126-F129 AromaticContact CE1-CD2 3.36Å; H126-F129 WeakPolarHBondContact CE1-CD2 3.44Å; H126-F129 AromaticContact CE1-CE2 3.19Å; H126-F129 WeakPolarHBondContact CE1-CE2 3.03Å; H126-F129 AromaticContact NE2-CD2 3.95Å; H126-F129 AromaticContact NE2-CE2 3.28Å; H126-F129 VanDerWaalsContact NE2-CE2 3.28Å; H126-F129 WeakPolarHBondContact NE2-CE2 3.4Å; F129-S131 PolarHBondContact O-N 2.85Å; F129-S131 VanDerWaalsContact O-N 3.15Å |
| 130 | D | 39.3 | Very low | 43.9 | Very low | 163 Ų | 163 | 131.8 Ų | 131.8 | 87% | 0.872 | 73% | 0.727 | S | S | * | * | | | trans | -75.2 | 89.9 | 164.8 | -178.3 | 17.7 | 0 | 0 | 0 | 108.6 | G128 | G128-D130 PolarHBondContact O-N 3.09Š|
| 131 | S | 40.3 | Very low | 43.3 | Very low | 84 Ų | 84 | 133.9 Ų | 133.9 | 59% | 0.587 | 73% | 0.734 | S | S | * | * | | | trans | -140 | 97.2 | 172.3 | 177.6 | 0 | 0 | 0 | 0 | 107.9 | F129 L133 | F129-S131 PolarHBondContact O-N 2.85Å; F129-S131 VanDerWaalsContact O-N 3.15Å; S131-L133 PolarHBondContact O-N 3.02Å |
| 132 | M | 42 | Very low | 42.7 | Very low | 169 Ų | 169 | 136.5 Ų | 136.5 | 83% | 0.833 | 74% | 0.737 | S | S | * | * | S | Bend | trans | 37.8 | -20.6 | 153 | -124.8 | -171.2 | -157.2 | 0 | 0 | 122 | A134 H135 | M132-A134 PolarHBondContact O-N 2.82Å; M132-H135 PolarHBondContact O-ND1 2.85Å |
| 133 | L | 45 | Very low | 42.1 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 82% | 0.817 | 75% | 0.745 | S | S | * | * | | | trans | -76.5 | -5.1 | 174.1 | -69 | 176.6 | 0 | 0 | 0 | 113.3 | S131 H135 | S131-L133 PolarHBondContact O-N 3.02Å; L133-H135 PolarHBondContact O-N 2.92Å |
| 134 | A | 43.4 | Very low | 41.7 | Very low | 81 Ų | 81 | 143.1 Ų | 143.1 | 67% | 0.669 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.4 | 15.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | M132 L136 | M132-A134 PolarHBondContact O-N 2.82Å; A134-L136 PolarHBondContact O-N 2.74Å |
| 135 | H | 43 | Very low | 41 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 80% | 0.801 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | -14.7 | 168.8 | -74 | 64.9 | 0 | 0 | 0 | 112.3 | M132 L133 L137 | M132-H135 PolarHBondContact O-ND1 2.85Å; L133-H135 PolarHBondContact O-N 2.92Å; H135-L137 PolarHBondContact O-N 2.69Å |
| 136 | L | 45.5 | Very low | 40.4 | Very low | 133 Ų | 133 | 143.8 Ų | 143.8 | 70% | 0.696 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -86.3 | 90.7 | 166.9 | -153.3 | 89.7 | 0 | 0 | 0 | 108 | A134 L138 | A134-L136 PolarHBondContact O-N 2.74Å; L136-L138 VanDerWaalsContact C-N 3.27Å; L136-L138 HydrophobicContact CD2-CD1 4.4Å; L136-L138 PolarHBondContact O-N 2.9Å |
| 137 | L | 41.6 | Very low | 39.9 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | | | trans | -44.6 | 94.5 | 161.3 | -84.8 | 154.7 | 0 | 0 | 0 | 108.4 | H135 T139 | H135-L137 PolarHBondContact O-N 2.69Å; L137-T139 PolarHBondContact O-N 2.73Å |
| 138 | L | 41 | Very low | 40 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 72% | 0.723 | 76% | 0.755 | S | S | * | * | | | trans | -79.8 | 62.4 | 179.5 | -163 | 74.8 | 0 | 0 | 0 | 108.5 | L136 F140 | L136-L138 VanDerWaalsContact C-N 3.27Å; L136-L138 HydrophobicContact CD2-CD1 4.4Å; L136-L138 PolarHBondContact O-N 2.9Å; L138-F140 HydrophobicContact CD1-CD2 4.03Å; L138-F140 PolarHBondContact O-N 3.05Å |
| 139 | T | 34.2 | Very low | 39.7 | Very low | 110 Ų | 110 | 143.2 Ų | 143.2 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | | | trans | -77.3 | 74.8 | 164.2 | 53.4 | 0 | 0 | 0 | 0 | 107.4 | L137 | L137-T139 PolarHBondContact O-N 2.73Š|
| 140 | F | 41.1 | Very low | 39.6 | Very low | 171 Ų | 171 | 140.8 Ų | 140.8 | 75% | 0.75 | 76% | 0.762 | S | S | * | * | | | trans | -114.3 | 91.1 | 170 | -87.7 | -84.1 | 0 | 0 | 0 | 110.1 | L138 H142 | L138-F140 HydrophobicContact CD1-CD2 4.03Å; L138-F140 PolarHBondContact O-N 3.05Å; F140-H142 PolarHBondContact O-N 3.12Å |
| 141 | Q | 41 | Very low | 39.8 | Very low | 184 Ų | 184 | 137.8 Ų | 137.8 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | | | trans | -49.7 | 120.2 | 156 | -65.9 | -179 | -13.9 | 0 | 0 | 108.1 | R143 | Q141-R143 PolarHBondContact O-N 2.9Š|
| 142 | H | 37.6 | Very low | 39.8 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | | | trans | -57.4 | 88.6 | -174.2 | -178.2 | -85.7 | 0 | 0 | 0 | 112 | F140 | F140-H142 PolarHBondContact O-N 3.12Š|
| 143 | R | 37.2 | Very low | 39.9 | Very low | 239 Ų | 239 | 139 Ų | 139 | 90% | 0.902 | 75% | 0.754 | S | S | * | * | | | trans | -102 | 105 | 162.2 | -98.9 | -99.9 | 169.5 | 146.4 | -5.2 | 107.8 | Q141 G145 | Q141-R143 PolarHBondContact O-N 2.9Å; R143-G145 PolarHBondContact O-N 3.07Å |
| 144 | A | 37.2 | Very low | 39.8 | Very low | 92 Ų | 92 | 137.8 Ų | 137.8 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | | | trans | -46.6 | 124.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 145 | G | 35 | Very low | 39.6 | Very low | 66 Ų | 66 | 141.9 Ų | 141.9 | 68% | 0.68 | 76% | 0.758 | S | S | * | * | | | trans | 144.4 | 90.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R143 | R143-G145 PolarHBondContact O-N 3.07Š|
| 146 | V | 36.3 | Very low | 39.5 | Very low | 132 Ų | 132 | 138.1 Ų | 138.1 | 80% | 0.8 | 76% | 0.757 | S | S | * | * | | | trans | 164.6 | 103.9 | 133.3 | 164.1 | 0 | 0 | 0 | 0 | 106.6 | S148 | V146-S148 PolarHBondContact O-N 2.78Å; V146-S148 VanDerWaalsContact O-N 3.12Å |
| 147 | S | 35.5 | Very low | 39 | Very low | 96 Ų | 96 | 140 Ų | 140 | 67% | 0.671 | 76% | 0.762 | S | S | * | * | | | trans | -64.9 | 97.6 | 166.4 | 153.4 | 0 | 0 | 0 | 0 | 108.2 | Y149 | S147-Y149 PolarHBondContact O-N 3.16Š|
| 148 | S | 40.5 | Very low | 38.6 | Very low | 94 Ų | 94 | 139 Ų | 139 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | | | trans | -75.3 | 119.5 | 158.2 | -61.6 | 0 | 0 | 0 | 0 | 107.1 | V146 T150 | V146-S148 PolarHBondContact O-N 2.78Å; V146-S148 VanDerWaalsContact O-N 3.12Å; S148-T150 VanDerWaalsContact C-N 3.26Å; S148-T150 PolarHBondContact O-N 3.19Å |
| 149 | Y | 35.9 | Very low | 38.9 | Very low | 218 Ų | 218 | 137.4 Ų | 137.4 | 86% | 0.855 | 76% | 0.762 | S | S | * | * | | | trans | -49.9 | 91.6 | 170.8 | -62.9 | -88.3 | 0 | 0 | 0 | 109.2 | S147 S151 | S147-Y149 PolarHBondContact O-N 3.16Å; Y149-S151 VanDerWaalsContact C-N 3.31Å; Y149-S151 PolarHBondContact O-N 3.2Å |
| 150 | T | 39.8 | Very low | 39.1 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | | | trans | -66.2 | 100.6 | 171.7 | 54.6 | 0 | 0 | 0 | 0 | 105.4 | S148 S152 | S148-T150 VanDerWaalsContact C-N 3.26Å; S148-T150 PolarHBondContact O-N 3.19Å; T150-S152 PolarHBondContact O-N 3.04Å; T150-S152 VanDerWaalsContact O-N 3.14Å |
| 151 | S | 42.7 | Very low | 39.1 | Very low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | | | trans | -38.6 | 119.9 | 162.1 | 173.1 | 0 | 0 | 0 | 0 | 107.8 | Y149 F153 | Y149-S151 VanDerWaalsContact C-N 3.31Å; Y149-S151 PolarHBondContact O-N 3.2Å; S151-F153 PolarHBondContact O-N 2.79Å |
| 152 | S | 39.8 | Very low | 39.3 | Very low | 75 Ų | 75 | 133.7 Ų | 133.7 | 52% | 0.524 | 76% | 0.762 | S | S | . | * | | | trans | -56.4 | 107.7 | -177.3 | 47 | 0 | 0 | 0 | 0 | 108.6 | T150 D154 | T150-S152 PolarHBondContact O-N 3.04Å; T150-S152 VanDerWaalsContact O-N 3.14Å; S152-D154 VanDerWaalsContact CB-OD1 3.29Å; S152-D154 WeakPolarHBondContact CB-OD1 3.08Å; S152-D154 PolarHBondContact O-N 2.81Å; S152-D154 PolarHBondContact OG-OD1 2.92Å; S152-D154 PolarHBondContact OG-OD2 3.36Å |
| 153 | F | 45.5 | Very low | 39.6 | Very low | 203 Ų | 203 | 133.9 Ų | 133.9 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | | | trans | -68.3 | 78.4 | 152.1 | -67 | -75.8 | 0 | 0 | 0 | 105.1 | S151 L155 | S151-F153 PolarHBondContact O-N 2.79Å; F153-L155 VanDerWaalsContact C-N 3.26Å; F153-L155 PolarHBondContact O-N 2.93Å |
| 154 | D | 41.3 | Very low | 39.8 | Very low | 131 Ų | 131 | 130.9 Ų | 130.9 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | | | trans | -55.7 | 99.7 | 173.2 | -71.1 | -47.4 | 0 | 0 | 0 | 105.7 | S152 A156 | S152-D154 VanDerWaalsContact CB-OD1 3.29Å; S152-D154 WeakPolarHBondContact CB-OD1 3.08Å; S152-D154 PolarHBondContact O-N 2.81Å; S152-D154 PolarHBondContact OG-OD1 2.92Å; S152-D154 PolarHBondContact OG-OD2 3.36Å; D154-A156 PolarHBondContact O-N 3.12Å |
| 155 | L | 39.7 | Very low | 39.7 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | | | trans | -44.9 | 117.4 | 170.2 | -88.5 | 161.4 | 0 | 0 | 0 | 105.7 | F153 Q157 | F153-L155 VanDerWaalsContact C-N 3.26Å; F153-L155 PolarHBondContact O-N 2.93Å; L155-Q157 PolarHBondContact O-N 2.84Å |
| 156 | A | 41.8 | Very low | 40.1 | Very low | 94 Ų | 94 | 139.8 Ų | 139.8 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | | | trans | -43.3 | 106.6 | 179 | 0 | 0 | 0 | 0 | 0 | 107.7 | D154 T158 | D154-A156 PolarHBondContact O-N 3.12Å; A156-T158 PolarHBondContact O-N 2.75Å; A156-T158 VanDerWaalsContact O-N 3.17Å |
| 157 | Q | 34.3 | Very low | 40.3 | Very low | 172 Ų | 172 | 135.5 Ų | 135.5 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | | | trans | -57.7 | 129 | -175.5 | -158.7 | 172.6 | 51.5 | 0 | 0 | 105.7 | L155 C159 | L155-Q157 PolarHBondContact O-N 2.84Å; Q157-C159 VanDerWaalsContact C-N 3.28Å; Q157-C159 PolarHBondContact O-N 3.02Å; Q157-C159 PolarHBondContact O-SG 2.98Å; Q157-C159 VanDerWaalsContact O-SG 3.39Å |
| 158 | T | 32.4 | Very low | 40.7 | Very low | 124 Ų | 124 | 137.4 Ų | 137.4 | 76% | 0.761 | 77% | 0.767 | S | S | * | * | | | trans | -63.1 | 94.4 | -178.1 | 54.4 | 0 | 0 | 0 | 0 | 107.8 | A156 V160 | A156-T158 PolarHBondContact O-N 2.75Å; A156-T158 VanDerWaalsContact O-N 3.17Å; T158-V160 PolarHBondContact O-N 2.8Å |
| 159 | C | 48.6 | Very low | 40.8 | Very low | 105 Ų | 105 | 139.7 Ų | 139.7 | 71% | 0.709 | 77% | 0.77 | S | S | * | * | | | trans | -70.2 | 89.1 | 174.2 | -62.8 | 0 | 0 | 0 | 0 | 107.2 | Q157 F161 | Q157-C159 VanDerWaalsContact C-N 3.28Å; Q157-C159 PolarHBondContact O-N 3.02Å; Q157-C159 PolarHBondContact O-SG 2.98Å; Q157-C159 VanDerWaalsContact O-SG 3.39Å; C159-F161 PolarHBondContact O-N 3.23Å |
| 160 | V | 38.9 | Very low | 40.6 | Very low | 128 Ų | 128 | 137.5 Ų | 137.5 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | | | trans | -60.3 | 111.7 | 161 | -170.8 | 0 | 0 | 0 | 0 | 104.5 | T158 G162 | T158-V160 PolarHBondContact O-N 2.8Å; V160-G162 PolarHBondContact O-N 3.03Å |
| 161 | F | 40.3 | Very low | 40.4 | Very low | 192 Ų | 192 | 136.3 Ų | 136.3 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | | | trans | -56.5 | 92.4 | 174.9 | -71.8 | -84.1 | 0 | 0 | 0 | 108.5 | C159 K163 | C159-F161 PolarHBondContact O-N 3.23Å; F161-K163 VanDerWaalsContact C-N 3.28Å; F161-K163 PolarHBondContact O-N 2.81Å |
| 162 | G | 45.3 | Very low | 39.8 | Very low | 66 Ų | 66 | 134.4 Ų | 134.4 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | | | trans | -61.2 | 99.7 | 161.4 | 0 | 0 | 0 | 0 | 0 | 105.5 | V160 Q164 | V160-G162 PolarHBondContact O-N 3.03Å; G162-Q164 PolarHBondContact O-N 3.11Å |
| 163 | K | 43.6 | Very low | 39.6 | Very low | 188 Ų | 188 | 136 Ų | 136 | 82% | 0.817 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -66.4 | 68.5 | 175.2 | -70.9 | -171.3 | 177.2 | -178.1 | 0 | 109.3 | F161 | F161-K163 VanDerWaalsContact C-N 3.28Å; F161-K163 PolarHBondContact O-N 2.81Å |
| 164 | Q | 41.3 | Very low | 39 | Very low | 177 Ų | 177 | 135 Ų | 135 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | | | trans | 177.1 | 76.7 | 171.5 | -99.6 | 148.1 | 21.2 | 0 | 0 | 110.7 | G162 | G162-Q164 PolarHBondContact O-N 3.11Š|
| 165 | L | 35.6 | Very low | 38.8 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | | | trans | -123.7 | 88.8 | 138.4 | -77.2 | 178.4 | 0 | 0 | 0 | 107.3 | G167 | L165-G167 PolarHBondContact O-N 2.84Å; L165-G167 VanDerWaalsContact O-N 3.12Å |
| 166 | L | 42.2 | Very low | 38.7 | Very low | 186 Ų | 186 | 129.7 Ų | 129.7 | 97% | 0.974 | 78% | 0.776 | S | S | * | * | | | trans | -76.2 | 78.5 | 162.5 | -173.8 | 70.2 | 0 | 0 | 0 | 106.6 | | |
| 167 | G | 42.1 | Very low | 38.1 | Very low | 42 Ų | 42 | 129.4 Ų | 129.4 | 43% | 0.433 | 77% | 0.773 | S | S | . | * | S | Bend | trans | -161.9 | 121.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | L165 I169 | L165-G167 PolarHBondContact O-N 2.84Å; L165-G167 VanDerWaalsContact O-N 3.12Å; G167-I169 PolarHBondContact O-N 3.17Å |
| 168 | P | 43.1 | Very low | 38.3 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | | | trans | -71.9 | 98.8 | -177.4 | 27.5 | -30.2 | 0 | 0 | 0 | 109.3 | L170 | P168-L170 VanDerWaalsContact C-N 3.29Å; P168-L170 PolarHBondContact O-N 3.39Å |
| 169 | I | 41.7 | Very low | 38.7 | Very low | 142 Ų | 142 | 128 Ų | 128 | 73% | 0.728 | 77% | 0.772 | S | S | * | * | | | trans | -76.7 | 93 | 169.2 | -56.8 | 176.9 | 0 | 0 | 0 | 106.8 | G167 C171 | G167-I169 PolarHBondContact O-N 3.17Å; I169-C171 VanDerWaalsContact C-N 3.27Å; I169-C171 HydrophobicContact CG2-CB 4.32Å; I169-C171 PolarHBondContact O-N 2.77Å |
| 170 | L | 32.5 | Very low | 38.6 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 91% | 0.906 | 77% | 0.77 | S | S | * | * | | | trans | -63.2 | 85.8 | 164.6 | -161.6 | 96.7 | 0 | 0 | 0 | 108.1 | P168 | P168-L170 VanDerWaalsContact C-N 3.29Å; P168-L170 PolarHBondContact O-N 3.39Å |
| 171 | C | 36.1 | Very low | 38.6 | Very low | 104 Ų | 104 | 128 Ų | 128 | 70% | 0.703 | 77% | 0.766 | S | S | * | * | | | trans | -111.8 | 95 | 167.2 | -162.4 | 0 | 0 | 0 | 0 | 108.2 | I169 S173 | I169-C171 VanDerWaalsContact C-N 3.27Å; I169-C171 HydrophobicContact CG2-CB 4.32Å; I169-C171 PolarHBondContact O-N 2.77Å; C171-S173 PolarHBondContact O-N 2.99Å |
| 172 | G | 29 | Very low | 38.5 | Very low | 61 Ų | 61 | 128.3 Ų | 128.3 | 63% | 0.629 | 77% | 0.767 | S | S | * | * | | | trans | -64.8 | 121.7 | 167 | 0 | 0 | 0 | 0 | 0 | 109.7 | | |
| 173 | S | 35.5 | Very low | 38 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | | | trans | -152 | 80.9 | 152.3 | -77.6 | 0 | 0 | 0 | 0 | 106.2 | C171 S175 | C171-S173 PolarHBondContact O-N 2.99Å; S173-S175 PolarHBondContact O-N 3Å |
| 174 | I | 34.5 | Very low | 37.9 | Very low | 184 Ų | 184 | 133.8 Ų | 133.8 | 94% | 0.944 | 77% | 0.772 | S | S | * | * | | | trans | -74.1 | 75.4 | 172.7 | -21.9 | 170.1 | 0 | 0 | 0 | 106 | | |
| 175 | S | 36.8 | Very low | 37.7 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | | | trans | -129.7 | 101 | 176.2 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | S173 | S173-S175 PolarHBondContact O-N 3Š|
| 176 | G | 36.5 | Very low | 38 | Very low | 72 Ų | 72 | 129.1 Ų | 129.1 | 74% | 0.742 | 76% | 0.761 | S | S | * | * | | | trans | 64.4 | 72.1 | 164.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | P178 | G176-P178 WeakPolarHBondContact O-CD 3.15Š|
| 177 | A | 29.1 | Very low | 37.7 | Very low | 88 Ų | 88 | 129.9 Ų | 129.9 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | | | trans | -91.6 | 105.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.9 | L179 | A177-L179 PolarHBondContact O-N 2.97Š|
| 178 | P | 40 | Very low | 37.6 | Very low | 112 Ų | 112 | 132.3 Ų | 132.3 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | | | trans | -60.7 | 108.3 | 157 | -15.6 | 28.3 | 0 | 0 | 0 | 107.5 | G176 L180 | G176-P178 WeakPolarHBondContact O-CD 3.15Å; P178-L180 PolarHBondContact O-N 3.02Å |
| 179 | L | 41.2 | Very low | 37.2 | Very low | 156 Ų | 156 | 134.5 Ų | 134.5 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | | | trans | -61.8 | 82.5 | 167 | -65.6 | 167.5 | 0 | 0 | 0 | 108.3 | A177 P181 | A177-L179 PolarHBondContact O-N 2.97Å; L179-P181 WeakPolarHBondContact O-CD 3.08Å |
| 180 | L | 45.7 | Very low | 37 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 67% | 0.665 | 77% | 0.772 | S | S | * | * | | | trans | -107.5 | 78.3 | 163 | -68.4 | -178 | 0 | 0 | 0 | 108.7 | P178 K182 L183 | P178-L180 PolarHBondContact O-N 3.02Å; L180-K182 PolarHBondContact O-N 3.14Å; L180-L183 HydrophobicContact CD1-CD1 4.03Å |
| 181 | P | 39.7 | Very low | 37.2 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 68% | 0.675 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60 | 122.4 | 168.8 | 25.9 | -31.3 | 0 | 0 | 0 | 108.4 | L179 | L179-P181 WeakPolarHBondContact O-CD 3.08Š|
| 182 | K | 37.1 | Very low | 37.4 | Very low | 199 Ų | 199 | 136.4 Ų | 136.4 | 87% | 0.865 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 77.6 | 35 | 162.4 | -49.5 | 169.2 | 178.2 | 174 | 0 | 117.5 | L180 R184 | L180-K182 PolarHBondContact O-N 3.14Å; K182-R184 PolarHBondContact O-N 3.22Å |
| 183 | L | 35.4 | Very low | 38.1 | Very low | 140 Ų | 140 | 140.1 Ų | 140.1 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | | | trans | -71.6 | 101 | 155.8 | -91.9 | 170.7 | 0 | 0 | 0 | 108.8 | L180 G185 | L180-L183 HydrophobicContact CD1-CD1 4.03Å; L183-G185 PolarHBondContact O-N 3.08Å |
| 184 | R | 40 | Very low | 38.4 | Very low | 230 Ų | 230 | 140.9 Ų | 140.9 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | | | trans | -56.9 | 91.8 | 157.5 | -73.9 | 176.9 | 170.5 | -129.9 | -3 | 106.7 | K182 Q186 | K182-R184 PolarHBondContact O-N 3.22Å; R184-Q186 PolarHBondContact O-N 2.96Å |
| 185 | G | 37.2 | Very low | 38.8 | Very low | 59 Ų | 59 | 136.2 Ų | 136.2 | 61% | 0.608 | 76% | 0.76 | S | S | * | * | | | trans | -68.1 | 84.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | L183 F187 | L183-G185 PolarHBondContact O-N 3.08Å; G185-F187 VanDerWaalsContact C-N 3.28Å; G185-F187 PolarHBondContact O-N 2.78Å; G185-F187 VanDerWaalsContact O-N 3.09Å |
| 186 | Q | 42 | Very low | 38.9 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | | | trans | -65.8 | 101.8 | 152.8 | -70.8 | -178.8 | -13.7 | 0 | 0 | 104.8 | R184 A188 | R184-Q186 PolarHBondContact O-N 2.96Å; Q186-A188 VanDerWaalsContact C-N 3.28Å; Q186-A188 PolarHBondContact O-N 3.39Å |
| 187 | F | 36.3 | Very low | 39 | Very low | 202 Ų | 202 | 138.5 Ų | 138.5 | 89% | 0.886 | 76% | 0.757 | S | S | * | * | | | trans | -59.2 | 99.3 | 165.3 | -79.7 | -92.1 | 0 | 0 | 0 | 106.6 | G185 E189 | G185-F187 VanDerWaalsContact C-N 3.28Å; G185-F187 PolarHBondContact O-N 2.78Å; G185-F187 VanDerWaalsContact O-N 3.09Å; F187-E189 PolarHBondContact O-N 2.81Å; F187-E189 VanDerWaalsContact O-N 3.13Å |
| 188 | A | 39.6 | Very low | 39.6 | Very low | 93 Ų | 93 | 137.6 Ų | 137.6 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | | | trans | -74.4 | 91.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 104.4 | Q186 F190 | Q186-A188 VanDerWaalsContact C-N 3.28Å; Q186-A188 PolarHBondContact O-N 3.39Å; A188-F190 PolarHBondContact O-N 3.28Å; A188-F190 VanDerWaalsContact O-N 3.16Å |
| 189 | E | 36.3 | Very low | 39.5 | Very low | 182 Ų | 182 | 139.3 Ų | 139.3 | 85% | 0.85 | 76% | 0.758 | S | S | * | * | | | trans | -53.2 | 124.2 | 172 | -155 | 169.2 | -158 | 0 | 0 | 107.3 | F187 L191 | F187-E189 PolarHBondContact O-N 2.81Å; F187-E189 VanDerWaalsContact O-N 3.13Å; E189-L191 PolarHBondContact O-N 2.95Å |
| 190 | F | 37 | Very low | 39.4 | Very low | 166 Ų | 166 | 141.2 Ų | 141.2 | 73% | 0.728 | 76% | 0.755 | S | S | * | * | | | trans | -42.9 | 120.1 | -172 | -119.6 | -97.1 | 0 | 0 | 0 | 110.9 | A188 N192 | A188-F190 PolarHBondContact O-N 3.28Å; A188-F190 VanDerWaalsContact O-N 3.16Å; F190-N192 HydrophobicContact CB-CB 4.46Å; F190-N192 HydrophobicContact CD1-CB 4.22Å; F190-N192 WeakPolarHBondContact CD1-ND2 3.35Å; F190-N192 WeakPolarHBondContact CD1-OD1 3.2Å; F190-N192 WeakPolarHBondContact CE1-OD1 3.28Å; F190-N192 PolarHBondContact O-N 3.15Å |
| 191 | L | 37.3 | Very low | 39.4 | Very low | 173 Ų | 173 | 141 Ų | 141 | 91% | 0.906 | 75% | 0.753 | S | S | * | * | | | trans | -70.4 | 67.1 | 158.3 | -67.5 | 176.7 | 0 | 0 | 0 | 107.9 | E189 N193 | E189-L191 PolarHBondContact O-N 2.95Å; L191-N193 PolarHBondContact O-N 2.94Å |
| 192 | N | 39.8 | Very low | 39.4 | Very low | 119 Ų | 119 | 143.1 Ų | 143.1 | 64% | 0.636 | 75% | 0.752 | S | S | * | * | | | trans | -79.4 | 76.3 | 165.5 | -90.7 | -27.6 | 0 | 0 | 0 | 107.8 | F190 | F190-N192 HydrophobicContact CB-CB 4.46Å; F190-N192 HydrophobicContact CD1-CB 4.22Å; F190-N192 WeakPolarHBondContact CD1-ND2 3.35Å; F190-N192 WeakPolarHBondContact CD1-OD1 3.2Å; F190-N192 WeakPolarHBondContact CE1-OD1 3.28Å; F190-N192 PolarHBondContact O-N 3.15Å |
| 193 | N | 42.8 | Very low | 39.7 | Very low | 140 Ų | 140 | 141.7 Ų | 141.7 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | | | trans | -156.5 | 119 | 135.9 | -111.1 | -29 | 0 | 0 | 0 | 108.5 | L191 S195 | L191-N193 PolarHBondContact O-N 2.94Å; N193-S195 PolarHBondContact O-N 3Å |
| 194 | P | 42.7 | Very low | 39.8 | Very low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 75% | 0.747 | S | S | * | * | | | trans | -71.1 | 81.4 | 171.3 | 30.9 | -31.5 | 0 | 0 | 0 | 107.3 | P196 | P194-P196 WeakPolarHBondContact O-CD 3.36Š|
| 195 | S | 41.6 | Very low | 40 | Very low | 86 Ų | 86 | 136.4 Ų | 136.4 | 60% | 0.601 | 74% | 0.741 | S | S | * | * | | | trans | -80.4 | 111.4 | 165.8 | -176.1 | 0 | 0 | 0 | 0 | 106.6 | N193 V197 | N193-S195 PolarHBondContact O-N 3Å; S195-V197 PolarHBondContact O-N 3.45Å |
| 196 | P | 39.6 | Very low | 40.2 | Very low | 127 Ų | 127 | 139 Ų | 139 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | | | trans | -76.1 | 52.1 | 174.7 | 35.5 | -36 | 0 | 0 | 0 | 109.3 | P194 G198 | P194-P196 WeakPolarHBondContact O-CD 3.36Å; P196-G198 PolarHBondContact O-N 2.96Å |
| 197 | V | 38.8 | Very low | 40.3 | Very low | 105 Ų | 105 | 137 Ų | 137 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | | | trans | -76.1 | 82.4 | 160 | 169.2 | 0 | 0 | 0 | 0 | 104.8 | S195 L199 | S195-V197 PolarHBondContact O-N 3.45Å; V197-L199 VanDerWaalsContact C-N 3.29Å; V197-L199 PolarHBondContact O-N 2.63Å |
| 198 | G | 41.2 | Very low | 40.5 | Very low | 68 Ų | 68 | 133.4 Ų | 133.4 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | | | trans | -54.3 | 99.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | P196 R200 | P196-G198 PolarHBondContact O-N 2.96Å; G198-R200 PolarHBondContact O-N 3.14Å |
| 199 | L | 39.2 | Very low | 40.6 | Very low | 148 Ų | 148 | 132 Ų | 132 | 78% | 0.775 | 74% | 0.738 | S | S | * | * | | | trans | -51.8 | 112.2 | 174.1 | -67.4 | 175.8 | 0 | 0 | 0 | 106.1 | V197 I201 | V197-L199 VanDerWaalsContact C-N 3.29Å; V197-L199 PolarHBondContact O-N 2.63Å; L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 2.88Å |
| 200 | R | 39.1 | Very low | 40.4 | Very low | 197 Ų | 197 | 131.9 Ų | 131.9 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | | | trans | -49.5 | 93.9 | 176.5 | -179.5 | 178 | 158.5 | -169.3 | -4.9 | 107.4 | G198 F202 | G198-R200 PolarHBondContact O-N 3.14Å; R200-F202 VanDerWaalsContact C-N 3.31Å; R200-F202 WeakPolarHBondContact O-CD2 3.19Å; R200-F202 PolarHBondContact O-N 3.22Å |
| 201 | I | 44.7 | Very low | 40.4 | Very low | 123 Ų | 123 | 135.2 Ų | 135.2 | 63% | 0.631 | 75% | 0.75 | S | S | * | * | | | trans | -63 | 104.1 | 172.6 | -68.3 | 170.3 | 0 | 0 | 0 | 104 | L199 F203 | L199-I201 VanDerWaalsContact C-N 3.27Å; L199-I201 PolarHBondContact O-N 2.88Å; I201-F203 HydrophobicContact CB-CD2 4.45Å; I201-F203 HydrophobicContact CB-CE2 4.1Å; I201-F203 HydrophobicContact CB-CZ 4.49Å; I201-F203 HydrophobicContact CG2-CD1 4.34Å; I201-F203 HydrophobicContact CG2-CD2 4.03Å; I201-F203 HydrophobicContact CG2-CE1 4.15Å; I201-F203 HydrophobicContact CG2-CE2 3.82Å; I201-F203 HydrophobicContact CG2-CG 4.29Å; I201-F203 HydrophobicContact CG2-CZ 3.88Å; I201-F203 WeakPolarHBondContact O-CD2 3.16Å; I201-F203 PolarHBondContact O-N 2.9Å |
| 202 | F | 39.5 | Very low | 40.2 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 65% | 0.645 | 75% | 0.752 | S | S | * | * | | | trans | -62.4 | 85.2 | 166.7 | -74.4 | -87.3 | 0 | 0 | 0 | 106.2 | R200 L204 | R200-F202 VanDerWaalsContact C-N 3.31Å; R200-F202 WeakPolarHBondContact O-CD2 3.19Å; R200-F202 PolarHBondContact O-N 3.22Å; F202-L204 HydrophobicContact CB-CD1 4.2Å; F202-L204 PolarHBondContact O-N 2.73Å |
| 203 | F | 43.5 | Very low | 40.1 | Very low | 170 Ų | 170 | 136 Ų | 136 | 75% | 0.746 | 76% | 0.755 | S | S | * | * | | | trans | -61.6 | 91 | 154.6 | -65.1 | -79.5 | 0 | 0 | 0 | 104.4 | I201 P205 | I201-F203 HydrophobicContact CB-CD2 4.45Å; I201-F203 HydrophobicContact CB-CE2 4.1Å; I201-F203 HydrophobicContact CB-CZ 4.49Å; I201-F203 HydrophobicContact CG2-CD1 4.34Å; I201-F203 HydrophobicContact CG2-CD2 4.03Å; I201-F203 HydrophobicContact CG2-CE1 4.15Å; I201-F203 HydrophobicContact CG2-CE2 3.82Å; I201-F203 HydrophobicContact CG2-CG 4.29Å; I201-F203 HydrophobicContact CG2-CZ 3.88Å; I201-F203 WeakPolarHBondContact O-CD2 3.16Å; I201-F203 PolarHBondContact O-N 2.9Å; F203-P205 VanDerWaalsContact C-N 3.3Å; F203-P205 WeakPolarHBondContact O-CD 3.29Å |
| 204 | L | 38 | Very low | 39.8 | Very low | 145 Ų | 145 | 138 Ų | 138 | 76% | 0.759 | 76% | 0.759 | S | S | * | * | | | trans | -55.3 | 105.3 | 155.1 | -90.8 | 81 | 0 | 0 | 0 | 103.5 | F202 T206 | F202-L204 HydrophobicContact CB-CD1 4.2Å; F202-L204 PolarHBondContact O-N 2.73Å; L204-T206 PolarHBondContact O-N 3.05Å |
| 205 | P | 43.8 | Very low | 39.5 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 73% | 0.734 | 76% | 0.757 | S | S | * | * | | | trans | -67.5 | 114.2 | 169.1 | 4.3 | 14.4 | 0 | 0 | 0 | 102.5 | F203 C207 | F203-P205 VanDerWaalsContact C-N 3.3Å; F203-P205 WeakPolarHBondContact O-CD 3.29Å; P205-C207 PolarHBondContact O-N 2.76Å |
| 206 | T | 41.8 | Very low | 39.3 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 71% | 0.706 | 76% | 0.764 | S | S | * | * | | | trans | -39 | 133.6 | 161.8 | 44.5 | 0 | 0 | 0 | 0 | 107.7 | L204 V208 | L204-T206 PolarHBondContact O-N 3.05Å; T206-V208 PolarHBondContact O-N 3.47Å |
| 207 | C | 44 | Very low | 39.2 | Very low | 136 Ų | 136 | 143.5 Ų | 143.5 | 92% | 0.919 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -64.1 | 39.4 | -168.2 | 41.7 | 0 | 0 | 0 | 0 | 115 | P205 | P205-C207 PolarHBondContact O-N 2.76Š|
| 208 | V | 41.1 | Very low | 38.8 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 76% | 0.764 | 75% | 0.751 | S | S | * | * | | | trans | -107.1 | 93.9 | 179.8 | -170.1 | 0 | 0 | 0 | 0 | 107.4 | T206 | T206-V208 PolarHBondContact O-N 3.47Š|
| 209 | G | 40.6 | Very low | 38.4 | Very low | 63 Ų | 63 | 146.6 Ų | 146.6 | 65% | 0.649 | 75% | 0.749 | S | S | * | * | | | trans | 1.4 | 121.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 120 | R211 | G209-R211 VanDerWaalsContact C-N 3.27Å; G209-R211 PolarHBondContact O-N 2.98Å |
| 210 | L | 32.3 | Very low | 37.9 | Very low | 180 Ų | 180 | 145 Ų | 145 | 94% | 0.942 | 75% | 0.75 | S | S | * | * | | | trans | -54.1 | 89 | 150.2 | -75.7 | 170.7 | 0 | 0 | 0 | 109.6 | | |
| 211 | R | 37.1 | Very low | 37.7 | Very low | 236 Ų | 236 | 145 Ų | 145 | 89% | 0.891 | 76% | 0.756 | S | S | * | * | | | trans | -93.5 | 113.7 | 161 | -69.3 | -156.3 | -174.8 | -151.2 | 4.9 | 107.8 | G209 | G209-R211 VanDerWaalsContact C-N 3.27Å; G209-R211 PolarHBondContact O-N 2.98Å |
| 212 | Y | 32.8 | Very low | 37.1 | Very low | 241 Ų | 241 | 144.6 Ų | 144.6 | 95% | 0.945 | 76% | 0.764 | S | S | * | * | | | trans | -21.5 | 140.3 | 172.9 | -65 | -90.8 | 0 | 0 | 0 | 117.3 | | |
| 213 | G | 37.5 | Very low | 36.7 | Very low | 68 Ų | 68 | 148.5 Ų | 148.5 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | | | trans | 159 | 75.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L215 | G213-L215 PolarHBondContact O-N 3.39Š|
| 214 | H | 36.4 | Very low | 36.1 | Very low | 180 Ų | 180 | 148.7 Ų | 148.7 | 83% | 0.833 | 78% | 0.777 | S | S | * | * | | | trans | -71.2 | 80.4 | 164.7 | 174.3 | -110.5 | 0 | 0 | 0 | 108.8 | R216 | H214-R216 PolarHBondContact O-N 3.42Š|
| 215 | L | 38.1 | Very low | 36.1 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | | | trans | -84.4 | 100.7 | 168 | -91.4 | 162.3 | 0 | 0 | 0 | 108.3 | G213 N217 | G213-L215 PolarHBondContact O-N 3.39Å; L215-N217 PolarHBondContact O-N 2.85Å |
| 216 | R | 36.2 | Very low | 35.7 | Very low | 198 Ų | 198 | 148.7 Ų | 148.7 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | | | trans | -62.7 | 80.7 | 166.5 | -177.8 | -179.3 | 175.5 | -117.3 | 3.7 | 108.6 | H214 T218 | H214-R216 PolarHBondContact O-N 3.42Å; R216-T218 PolarHBondContact O-N 2.99Å; R216-T218 VanDerWaalsContact O-N 3.11Å |
| 217 | N | 38.4 | Very low | 35.5 | Very low | 113 Ų | 113 | 148 Ų | 148 | 60% | 0.604 | 78% | 0.777 | S | S | * | * | | | trans | -80 | 96.5 | 176.1 | -91.7 | -4 | 0 | 0 | 0 | 109.7 | L215 H219 | L215-N217 PolarHBondContact O-N 2.85Å; N217-H219 PolarHBondContact O-N 3.25Å |
| 218 | T | 30.3 | Very low | 35.2 | Very low | 98 Ų | 98 | 149.8 Ų | 149.8 | 60% | 0.601 | 77% | 0.771 | S | S | * | * | | | trans | -67.2 | 76.6 | 162.8 | 50.3 | 0 | 0 | 0 | 0 | 109.2 | R216 | R216-T218 PolarHBondContact O-N 2.99Å; R216-T218 VanDerWaalsContact O-N 3.11Å |
| 219 | H | 32.4 | Very low | 35 | Very low | 140 Ų | 140 | 149.2 Ų | 149.2 | 65% | 0.648 | 77% | 0.769 | S | S | * | * | | | trans | -112.9 | 96 | 165.9 | -70.3 | -62.7 | 0 | 0 | 0 | 108.5 | N217 F221 | N217-H219 PolarHBondContact O-N 3.25Å; H219-F221 PolarHBondContact O-N 3.36Å; H219-F221 VanDerWaalsContact O-N 3.08Å |
| 220 | S | 28.9 | Very low | 35.1 | Very low | 115 Ų | 115 | 150.8 Ų | 150.8 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | | | trans | -42.5 | 108.2 | 165.5 | -28.4 | 0 | 0 | 0 | 0 | 109.3 | S222 | S220-S222 VanDerWaalsContact C-N 3.31Å; S220-S222 PolarHBondContact O-N 3.12Å |
| 221 | F | 34.6 | Very low | 35.4 | Very low | 196 Ų | 196 | 146.8 Ų | 146.8 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | | | trans | -69.1 | 96.8 | 165.4 | -77.5 | -81.5 | 0 | 0 | 0 | 107.4 | H219 R223 | H219-F221 PolarHBondContact O-N 3.36Å; H219-F221 VanDerWaalsContact O-N 3.08Å; F221-R223 VanDerWaalsContact C-N 3.27Å; F221-R223 PolarHBondContact O-N 3.46Å |
| 222 | S | 31.4 | Very low | 35.5 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | | | trans | -61.4 | 91.8 | 165.9 | -175.7 | 0 | 0 | 0 | 0 | 107.9 | S220 H224 | S220-S222 VanDerWaalsContact C-N 3.31Å; S220-S222 PolarHBondContact O-N 3.12Å; S222-H224 PolarHBondContact O-N 2.82Å |
| 223 | R | 31.7 | Very low | 36.1 | Very low | 229 Ų | 229 | 134.9 Ų | 134.9 | 86% | 0.864 | 73% | 0.726 | S | S | * | * | | | trans | -80.9 | 98 | 168.7 | -132.9 | -172.3 | -58.7 | -109.4 | 1.3 | 105.8 | F221 L225 | F221-R223 VanDerWaalsContact C-N 3.27Å; F221-R223 PolarHBondContact O-N 3.46Å; R223-L225 PolarHBondContact O-N 3.23Å |
| 224 | H | 30.7 | Very low | 36.5 | Very low | 175 Ų | 175 | 135.5 Ų | 135.5 | 81% | 0.81 | 72% | 0.72 | S | S | * | * | | | trans | -48.9 | 108.1 | 171.8 | -148.6 | -61.8 | 0 | 0 | 0 | 108.4 | S222 P226 | S222-H224 PolarHBondContact O-N 2.82Å; H224-P226 WeakPolarHBondContact O-CD 3.45Å |
| 225 | L | 37.6 | Very low | 36.8 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 78% | 0.78 | 71% | 0.709 | S | S | * | * | | | trans | -68.9 | 124.2 | 174.8 | -169 | 72.1 | 0 | 0 | 0 | 107 | R223 S227 | R223-L225 PolarHBondContact O-N 3.23Å; L225-S227 PolarHBondContact O-N 3.15Å |
| 226 | P | 35.7 | Very low | 37.2 | Very low | 108 Ų | 108 | 130.7 Ų | 130.7 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | | | trans | -64 | 127.4 | 174.2 | 23.2 | -28.8 | 0 | 0 | 0 | 109 | H224 Q228 | H224-P226 WeakPolarHBondContact O-CD 3.45Å; P226-Q228 PolarHBondContact O-N 3.31Å; P226-Q228 VanDerWaalsContact O-N 3.15Å |
| 227 | S | 37.1 | Very low | 37.5 | Very low | 101 Ų | 101 | 127.3 Ų | 127.3 | 71% | 0.706 | 70% | 0.696 | S | S | * | * | | | trans | -47.9 | 113.9 | 179.5 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | L225 T229 | L225-S227 PolarHBondContact O-N 3.15Å; S227-T229 PolarHBondContact O-N 3.06Å |
| 228 | Q | 38 | Very low | 37.6 | Very low | 173 Ų | 173 | 130.9 Ų | 130.9 | 81% | 0.808 | 70% | 0.703 | S | S | * | * | | | trans | -81.4 | 34.1 | -179.9 | -146.8 | -172.4 | 18.1 | 0 | 0 | 112.3 | P226 | P226-Q228 PolarHBondContact O-N 3.31Å; P226-Q228 VanDerWaalsContact O-N 3.15Å |
| 229 | T | 37.5 | Very low | 37.9 | Very low | 115 Ų | 115 | 136.4 Ų | 136.4 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | | | trans | -98.4 | 2.9 | -163.9 | -15.5 | 0 | 0 | 0 | 0 | 115.3 | S227 | S227-T229 PolarHBondContact O-N 3.06Š|
| 230 | S | 41.7 | Very low | 38.6 | Very low | 96 Ų | 96 | 136.2 Ų | 136.2 | 67% | 0.671 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -104 | -13.1 | -177.7 | 58.5 | 0 | 0 | 0 | 0 | 115.8 | | |
| 231 | V | 39.2 | Very low | 39.3 | Very low | 96 Ų | 96 | 137.7 Ų | 137.7 | 58% | 0.582 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -96.8 | -25.8 | -171.5 | -170.7 | 0 | 0 | 0 | 0 | 113.2 | S234 | V231-S234 PolarHBondContact O-OG 3.33Š|
| 232 | L | 38.7 | Very low | 39.5 | Very low | 130 Ų | 130 | 136.5 Ų | 136.5 | 68% | 0.681 | 71% | 0.707 | S | S | * | * | H | α-helix | trans | -75.7 | -31.9 | -178 | -76.8 | 170.6 | 0 | 0 | 0 | 113.4 | S234 L235 | L232-S234 VanDerWaalsContact C-N 3.32Å; L232-S234 PolarHBondContact O-N 3.36Å; L232-L235 PolarHBondContact O-N 3.45Å |
| 233 | T | 46.2 | Very low | 40.1 | Very low | 97 Ų | 97 | 136.8 Ų | 136.8 | 60% | 0.595 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -71.1 | -22.5 | 179.8 | 18 | 0 | 0 | 0 | 0 | 113.9 | | |
| 234 | S | 45.6 | Very low | 40.7 | Very low | 81 Ų | 81 | 130.5 Ų | 130.5 | 57% | 0.566 | 70% | 0.703 | S | S | * | * | H | α-helix | trans | -78.3 | -22.9 | 177.4 | 73.1 | 0 | 0 | 0 | 0 | 113.4 | V231 L232 | V231-S234 PolarHBondContact O-OG 3.33Å; L232-S234 VanDerWaalsContact C-N 3.32Å; L232-S234 PolarHBondContact O-N 3.36Å |
| 235 | L | 42.6 | Very low | 41.1 | Very low | 115 Ų | 115 | 130.1 Ų | 130.1 | 60% | 0.602 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -81.3 | -35.5 | -179.2 | -100.4 | 156.5 | 0 | 0 | 0 | 112.8 | L232 L237 Y238 R239 | L232-L235 PolarHBondContact O-N 3.45Å; L235-L237 VanDerWaalsContact C-N 3.34Å; L235-L237 PolarHBondContact O-N 3.34Å; L235-Y238 PolarHBondContact O-N 3.38Å; L235-R239 PolarHBondContact O-N 3.37Å |
| 236 | D | 45.9 | Very low | 41.3 | Very low | 105 Ų | 105 | 134 Ų | 134 | 56% | 0.561 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -70.3 | -28.7 | -179.7 | -77.2 | -27 | 0 | 0 | 0 | 113.3 | N240 | D236-N240 PolarHBondContact O-ND2 2.89Å |
| 237 | L | 42.4 | Very low | 41.6 | Very low | 128 Ų | 128 | 136.5 Ų | 136.5 | 67% | 0.67 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -73.6 | -27 | 176.5 | -107.6 | 145.3 | 0 | 0 | 0 | 113.1 | L235 | L235-L237 VanDerWaalsContact C-N 3.34Å; L235-L237 PolarHBondContact O-N 3.34Å |
| 238 | Y | 40.5 | Very low | 41.9 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 74% | 0.737 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -82.9 | -27.3 | 179 | -159.9 | -102.4 | 0 | 0 | 0 | 112.7 | L235 N240 | L235-Y238 PolarHBondContact O-N 3.38Å; Y238-N240 VanDerWaalsContact C-N 3.3Å; Y238-N240 PolarHBondContact O-N 3.37Å |
| 239 | R | 38.2 | Very low | 41.9 | Very low | 213 Ų | 213 | 140 Ų | 140 | 80% | 0.804 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -74.6 | -17.5 | -176.3 | -150.4 | 178.2 | -168 | -177.3 | 3.1 | 114.2 | L235 | L235-R239 PolarHBondContact O-N 3.37Å |
| 240 | N | 46 | Very low | 41.9 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 73% | 0.733 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.6 | 5.9 | -172.9 | -71.3 | -54.2 | 0 | 0 | 0 | 115.3 | D236 Y238 | D236-N240 PolarHBondContact O-ND2 2.89Å; Y238-N240 VanDerWaalsContact C-N 3.3Å; Y238-N240 PolarHBondContact O-N 3.37Å |
| 241 | Q | 43.7 | Very low | 42 | Very low | 145 Ų | 145 | 141.2 Ų | 141.2 | 68% | 0.678 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -101 | 1.7 | -176.6 | -74.3 | -173.1 | 37 | 0 | 0 | 116.2 | P243 | Q241-P243 WeakPolarHBondContact O-CD 3.34Š|
| 242 | H | 39.4 | Very low | 41.7 | Very low | 172 Ų | 172 | 143.2 Ų | 143.2 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | | | trans | -109.7 | 102 | 174.4 | -92 | -85.3 | 0 | 0 | 0 | 112 | A244 | H242-A244 PolarHBondContact O-N 3.16Å; H242-A244 VanDerWaalsContact O-N 3.16Å |
| 243 | P | 42.8 | Very low | 41.8 | Very low | 119 Ų | 119 | 145.1 Ų | 145.1 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | | | trans | -65.2 | 114.4 | 170.7 | 24.6 | -30.2 | 0 | 0 | 0 | 109.3 | Q241 L245 | Q241-P243 WeakPolarHBondContact O-CD 3.34Å; P243-L245 PolarHBondContact O-N 2.97Å |
| 244 | A | 44.5 | Very low | 41.6 | Very low | 98 Ų | 98 | 147.6 Ų | 147.6 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | | | trans | -63.6 | 120.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110 | H242 R246 | H242-A244 PolarHBondContact O-N 3.16Å; H242-A244 VanDerWaalsContact O-N 3.16Å; A244-R246 PolarHBondContact O-N 3.13Å; A244-R246 VanDerWaalsContact O-N 3.13Å |
| 245 | L | 40.1 | Very low | 41.4 | Very low | 167 Ų | 167 | 151.1 Ų | 151.1 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | | | trans | -58.4 | 115.2 | 172.4 | -82.5 | 160.9 | 0 | 0 | 0 | 109.4 | P243 L247 | P243-L245 PolarHBondContact O-N 2.97Å; L245-L247 PolarHBondContact O-N 3.26Å |
| 246 | R | 40.6 | Very low | 41.3 | Very low | 230 Ų | 230 | 153.1 Ų | 153.1 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | | | trans | -66 | 91.5 | -178.7 | -161.2 | -173.9 | -168.7 | -173.1 | 4 | 109.6 | A244 Q248 | A244-R246 PolarHBondContact O-N 3.13Å; A244-R246 VanDerWaalsContact O-N 3.13Å; R246-Q248 PolarHBondContact O-N 3.32Å |
| 247 | L | 42.5 | Very low | 41 | Very low | 160 Ų | 160 | 155.9 Ų | 155.9 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | | | trans | -74.7 | 94.6 | 169.2 | -72 | 174.1 | 0 | 0 | 0 | 108.6 | L245 M249 | L245-L247 PolarHBondContact O-N 3.26Å; L247-M249 PolarHBondContact O-N 3.38Å |
| 248 | Q | 43.8 | Very low | 40.9 | Very low | 171 Ų | 171 | 157.6 Ų | 157.6 | 80% | 0.799 | 84% | 0.843 | S | S | * | * | | | trans | -68.8 | 92.9 | 176.2 | -164.7 | 172.3 | 3 | 0 | 0 | 108.7 | R246 C250 | R246-Q248 PolarHBondContact O-N 3.32Å; Q248-C250 PolarHBondContact O-N 3.36Å |
| 249 | M | 38.5 | Very low | 41 | Very low | 178 Ų | 178 | 155.6 Ų | 155.6 | 88% | 0.877 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -69.5 | 118.9 | 172.7 | -73.9 | 174.9 | 81.2 | 0 | 0 | 109.2 | L247 | L247-M249 PolarHBondContact O-N 3.38Š|
| 250 | C | 36.7 | Very low | 41.2 | Very low | 112 Ų | 112 | 151.5 Ų | 151.5 | 76% | 0.757 | 85% | 0.853 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 135.4 | 176.2 | -65.9 | 0 | 0 | 0 | 0 | 110.9 | Q248 C252 | Q248-C250 PolarHBondContact O-N 3.36Å; C250-C252 PolarHBondContact O-N 3.04Å |
| 251 | P | 44.1 | Very low | 40.8 | Very low | 124 Ų | 124 | 152.6 Ų | 152.6 | 81% | 0.805 | 86% | 0.863 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 123.2 | 178.7 | 28.6 | -32 | 0 | 0 | 0 | 109.9 | A253 | P251-A253 PolarHBondContact O-N 3.05Š|
| 252 | C | 33.9 | Very low | 40.5 | Very low | 137 Ų | 137 | 153.3 Ų | 153.3 | 93% | 0.926 | 88% | 0.878 | S | S | * | * | | | trans | -71.7 | 110.9 | 165 | -62 | 0 | 0 | 0 | 0 | 107.7 | C250 | C250-C252 PolarHBondContact O-N 3.04Š|
| 253 | A | 39.6 | Very low | 40.6 | Very low | 171 Ų | 171 | 151.5 Ų | 151.5 | 100% | 1.413 | 89% | 0.885 | S | S | * | * | | | trans | -139.8 | 0 | 161.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | P251 | P251-A253 PolarHBondContact O-N 3.05Š|