| 1 | M | 46.6 | Very low | 49.8 | Very low | 239 Ų | 239 | 187 Ų | 187 | 100% | 1.177 | 89% | 0.891 | S | S | * | * | | | | 0 | 124.2 | 0 | -115 | 168.2 | -166.4 | 0 | 0 | 108.1 | | |
| 2 | M | 44.1 | Very low | 50.4 | Low | 179 Ų | 179 | 181.6 Ų | 181.6 | 88% | 0.882 | 88% | 0.879 | S | S | * | * | | | trans | -91.6 | 130.6 | -179.8 | -58.7 | 179.3 | -145.4 | 0 | 0 | 110.3 | | |
| 3 | M | 57.6 | Low | 50.7 | Low | 175 Ų | 175 | 179.5 Ų | 179.5 | 86% | 0.862 | 86% | 0.858 | S | S | * | * | | | trans | -140.5 | 85.1 | 158.3 | -62.5 | -173.2 | -169 | 0 | 0 | 106.6 | | |
| 4 | K | 50.1 | Low | 51.4 | Low | 199 Ų | 199 | 171.7 Ų | 171.7 | 87% | 0.865 | 82% | 0.824 | S | S | * | * | | | | 56.1 | 117.1 | 94.9 | -74.8 | -168.3 | 176.9 | -176.7 | 0 | 114.2 | | |
| 5 | R | 43.3 | Very low | 52 | Low | 241 Ų | 241 | 167.3 Ų | 167.3 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | | | trans | -68.4 | 140.9 | 176.3 | -63.6 | 174.1 | -97.2 | -144.6 | -4.1 | 112 | | |
| 6 | Q | 50.7 | Low | 52.8 | Low | 189 Ų | 189 | 166.9 Ų | 166.9 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | | | trans | -141.7 | 102.8 | 148.2 | -81 | -174.7 | 3.4 | 0 | 0 | 105.2 | | |
| 7 | M | 51.4 | Low | 53 | Low | 183 Ų | 183 | 164.9 Ų | 164.9 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | | | | 43 | 107.6 | 80.9 | -73.4 | -157.6 | -71.4 | 0 | 0 | 114.1 | | |
| 8 | G | 45 | Very low | 53.5 | Low | 73 Ų | 73 | 162.3 Ų | 162.3 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | | | trans | 112.4 | 79 | 138.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | | |
| 9 | E | 51.7 | Low | 53.6 | Low | 185 Ų | 185 | 160 Ų | 160 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | | | trans | -130.6 | 117.2 | 137.7 | -76.3 | -160.1 | 143.5 | 0 | 0 | 109.7 | I11 | E9-I11 PolarHBondContact O-N 3.26Š|
| 10 | R | 50.4 | Low | 53.5 | Low | 231 Ų | 231 | 157.9 Ų | 157.9 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | | | trans | -54.4 | 115 | 168.9 | 62 | -168.2 | 77.9 | -169 | 1.7 | 108.2 | T12 | R10-T12 PolarHBondContact O-N 3.25Š|
| 11 | I | 56.4 | Low | 53.5 | Low | 163 Ų | 163 | 153.8 Ų | 153.8 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | | | trans | -84.1 | 102.2 | 170.7 | -55.7 | 179 | 0 | 0 | 0 | 106.3 | E9 Y13 | E9-I11 PolarHBondContact O-N 3.26Å; I11-Y13 PolarHBondContact O-N 2.91Å; I11-Y13 VanDerWaalsContact O-N 3.1Å |
| 12 | T | 57.9 | Low | 53.7 | Low | 122 Ų | 122 | 152.4 Ų | 152.4 | 75% | 0.748 | 76% | 0.762 | S | S | * | * | | | trans | -57.9 | 111 | 172.3 | -56.5 | 0 | 0 | 0 | 0 | 108.7 | R10 N14 | R10-T12 PolarHBondContact O-N 3.25Å; T12-N14 PolarHBondContact O-N 3.01Å; T12-N14 VanDerWaalsContact O-N 3.14Å |
| 13 | Y | 53.7 | Low | 54 | Low | 154 Ų | 154 | 149.2 Ų | 149.2 | 60% | 0.604 | 76% | 0.758 | S | S | * | * | | | trans | -72.7 | 103.1 | 177.4 | -162.3 | -85.9 | 0 | 0 | 0 | 108.9 | I11 P15 M19 | I11-Y13 PolarHBondContact O-N 2.91Å; I11-Y13 VanDerWaalsContact O-N 3.1Å; Y13-P15 WeakPolarHBondContact O-CD 3.33Å; Y13-M19 HydrophobicContact CD2-SD 4.25Å; Y13-M19 HydrophobicContact CE2-CE 3.79Å; Y13-M19 HydrophobicContact CE2-CG 4.11Å; Y13-M19 HydrophobicContact CE2-SD 3.2Å; Y13-M19 WeakPolarHBondContact CE2-SD 3.25Å; Y13-M19 VanDerWaalsContact OH-CE 3.25Å; Y13-M19 WeakPolarHBondContact OH-CE 3.2Å; Y13-M19 VanDerWaalsContact OH-CG 3.31Å; Y13-M19 WeakPolarHBondContact OH-CG 3.38Å; Y13-M19 PolarHBondContact OH-SD 3.13Å |
| 14 | N | 60.8 | Low | 53.7 | Low | 71 Ų | 71 | 149.6 Ų | 149.6 | 38% | 0.38 | 76% | 0.758 | S | S | . | * | | | trans | -85.9 | 110.4 | 170.3 | -176.6 | 2.2 | 0 | 0 | 0 | 108.7 | T12 Q16 Q17 | T12-N14 PolarHBondContact O-N 3.01Å; T12-N14 VanDerWaalsContact O-N 3.14Å; N14-Q16 PolarHBondContact O-N 3.1Å; N14-Q16 WeakPolarHBondContact OD1-CB 3.38Å; N14-Q16 PolarHBondContact OD1-N 3.1Å; N14-Q16 VanDerWaalsContact OD1-N 3.13Å; N14-Q17 HydrophobicContact CB-CG 4.17Å; N14-Q17 PolarHBondContact O-N 3.14Å; N14-Q17 VanDerWaalsContact O-N 3.1Å |
| 15 | P | 61 | Low | 53.7 | Low | 106 Ų | 106 | 146.3 Ų | 146.3 | 69% | 0.688 | 75% | 0.748 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -9 | -179.6 | 27.9 | -35.4 | 0 | 0 | 0 | 113.8 | Y13 Q17 | Y13-P15 WeakPolarHBondContact O-CD 3.33Å; P15-Q17 VanDerWaalsContact C-N 3.32Å |
| 16 | Q | 64.2 | Low | 54 | Low | 161 Ų | 161 | 139.8 Ų | 139.8 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85 | -5.5 | 176.7 | -60.1 | 166.4 | 24 | 0 | 0 | 113.1 | N14 | N14-Q16 PolarHBondContact O-N 3.1Å; N14-Q16 WeakPolarHBondContact OD1-CB 3.38Å; N14-Q16 PolarHBondContact OD1-N 3.1Å; N14-Q16 VanDerWaalsContact OD1-N 3.13Å |
| 17 | Q | 56.4 | Low | 53.7 | Low | 132 Ų | 132 | 138.7 Ų | 138.7 | 62% | 0.617 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -91.7 | 119.9 | 171.3 | -64.1 | -81.9 | -77.4 | 0 | 0 | 107.5 | N14 P15 M19 | N14-Q17 HydrophobicContact CB-CG 4.17Å; N14-Q17 PolarHBondContact O-N 3.14Å; N14-Q17 VanDerWaalsContact O-N 3.1Å; P15-Q17 VanDerWaalsContact C-N 3.32Å; Q17-M19 PolarHBondContact O-N 3.05Å |
| 18 | P | 61.1 | Low | 53.5 | Low | 119 Ų | 119 | 133.8 Ų | 133.8 | 77% | 0.773 | 72% | 0.721 | S | S | * | * | | | trans | -60.1 | 108.7 | 170 | 24.8 | -30.9 | 0 | 0 | 0 | 107.2 | S20 | P18-S20 PolarHBondContact O-N 2.93Š|
| 19 | M | 55.5 | Low | 53.7 | Low | 118 Ų | 118 | 141 Ų | 141 | 58% | 0.581 | 73% | 0.727 | S | S | * | * | | | trans | -59.4 | 113.1 | 166.6 | -69.4 | -123.1 | -56.2 | 0 | 0 | 106.2 | Y13 Q17 A21 | Y13-M19 HydrophobicContact CD2-SD 4.25Å; Y13-M19 HydrophobicContact CE2-CE 3.79Å; Y13-M19 HydrophobicContact CE2-CG 4.11Å; Y13-M19 HydrophobicContact CE2-SD 3.2Å; Y13-M19 WeakPolarHBondContact CE2-SD 3.25Å; Y13-M19 VanDerWaalsContact OH-CE 3.25Å; Y13-M19 WeakPolarHBondContact OH-CE 3.2Å; Y13-M19 VanDerWaalsContact OH-CG 3.31Å; Y13-M19 WeakPolarHBondContact OH-CG 3.38Å; Y13-M19 PolarHBondContact OH-SD 3.13Å; Q17-M19 PolarHBondContact O-N 3.05Å; M19-A21 PolarHBondContact O-N 2.83Å |
| 20 | S | 52.4 | Low | 53.3 | Low | 118 Ų | 118 | 144.2 Ų | 144.2 | 83% | 0.825 | 73% | 0.731 | S | S | * | * | | | trans | -67.2 | 70.9 | 161.9 | 17.2 | 0 | 0 | 0 | 0 | 107.8 | P18 Y22 | P18-S20 PolarHBondContact O-N 2.93Å; S20-Y22 VanDerWaalsContact C-N 3.28Å; S20-Y22 PolarHBondContact O-N 2.98Å |
| 21 | A | 53.6 | Low | 53 | Low | 71 Ų | 71 | 136 Ų | 136 | 59% | 0.587 | 72% | 0.719 | S | S | * | * | | | trans | -72.8 | 86.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 107.2 | M19 | M19-A21 PolarHBondContact O-N 2.83Š|
| 22 | Y | 49.7 | Very low | 52.7 | Low | 210 Ų | 210 | 137.4 Ų | 137.4 | 82% | 0.824 | 72% | 0.722 | S | S | * | * | | | trans | -170.3 | 51.3 | 147.1 | -102 | -73.7 | 0 | 0 | 0 | 109.2 | S20 | S20-Y22 VanDerWaalsContact C-N 3.28Å; S20-Y22 PolarHBondContact O-N 2.98Å |
| 23 | S | 51.4 | Low | 52.1 | Low | 113 Ų | 113 | 137.8 Ų | 137.8 | 79% | 0.79 | 73% | 0.729 | S | S | * | * | | | trans | -104.2 | 82.9 | 157.3 | -92.3 | 0 | 0 | 0 | 0 | 107.4 | | |
| 24 | Q | 51.3 | Low | 51.8 | Low | 183 Ų | 183 | 133.6 Ų | 133.6 | 86% | 0.855 | 73% | 0.733 | S | S | * | * | | | trans | 178.9 | 63 | 164.8 | -100.3 | 163.2 | 49 | 0 | 0 | 108.8 | P26 | Q24-P26 WeakPolarHBondContact O-CD 3.31Š|
| 25 | I | 50.2 | Low | 51.1 | Low | 129 Ų | 129 | 141.8 Ų | 141.8 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | | | trans | -98 | 107.8 | 160.5 | -58.8 | 174.9 | 0 | 0 | 0 | 105.7 | N27 | I25-N27 PolarHBondContact O-N 2.87Š|
| 26 | P | 49.8 | Very low | 50.6 | Low | 104 Ų | 104 | 140.3 Ų | 140.3 | 68% | 0.675 | 76% | 0.764 | S | S | * | * | | | trans | -68.7 | 105.4 | 172.5 | 27.4 | -29.9 | 0 | 0 | 0 | 107.9 | Q24 S28 | Q24-P26 WeakPolarHBondContact O-CD 3.31Å; P26-S28 VanDerWaalsContact C-N 3.28Å; P26-S28 PolarHBondContact O-N 3.25Å; P26-S28 PolarHBondContact O-OG 2.89Å; P26-S28 VanDerWaalsContact O-OG 3.11Å |
| 27 | N | 43.6 | Very low | 50.3 | Low | 166 Ų | 166 | 140.5 Ų | 140.5 | 89% | 0.888 | 77% | 0.765 | S | S | * | * | | | trans | -59.3 | 91.5 | 172.4 | -90.9 | -20.2 | 0 | 0 | 0 | 109.4 | I25 | I25-N27 PolarHBondContact O-N 2.87Š|
| 28 | S | 48.1 | Very low | 50.4 | Low | 81 Ų | 81 | 140.7 Ų | 140.7 | 57% | 0.566 | 78% | 0.778 | S | S | * | * | | | trans | -137.6 | 39 | 179.3 | 55.7 | 0 | 0 | 0 | 0 | 110.3 | P26 | P26-S28 VanDerWaalsContact C-N 3.28Å; P26-S28 PolarHBondContact O-N 3.25Å; P26-S28 PolarHBondContact O-OG 2.89Å; P26-S28 VanDerWaalsContact O-OG 3.11Å |
| 29 | Y | 48.6 | Very low | 49.9 | Very low | 223 Ų | 223 | 141.3 Ų | 141.3 | 88% | 0.875 | 78% | 0.779 | S | S | * | * | | | trans | -122.1 | 86.1 | 167.2 | -80.4 | -87.6 | 0 | 0 | 0 | 109.7 | G31 | Y29-G31 PolarHBondContact O-N 2.76Å; Y29-G31 VanDerWaalsContact O-N 3.13Å |
| 30 | R | 43.8 | Very low | 49.9 | Very low | 254 Ų | 254 | 139.1 Ų | 139.1 | 96% | 0.958 | 79% | 0.787 | S | S | * | * | | | trans | -45 | 105 | 153.3 | 179.5 | -171.9 | -165.6 | -155.2 | 4.2 | 109 | | |
| 31 | G | 43.3 | Very low | 50 | Low | 59 Ų | 59 | 141.6 Ų | 141.6 | 61% | 0.608 | 79% | 0.785 | S | S | * | * | | | trans | 127.9 | 133.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y29 | Y29-G31 PolarHBondContact O-N 2.76Å; Y29-G31 VanDerWaalsContact O-N 3.13Å |
| 32 | Q | 50.8 | Low | 50.1 | Low | 192 Ų | 192 | 142.9 Ų | 142.9 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | | | trans | 89 | 93.2 | 164.3 | -50 | -174.4 | 8.3 | 0 | 0 | 115.5 | | |
| 33 | S | 45.2 | Very low | 50.3 | Low | 129 Ų | 129 | 140.2 Ų | 140.2 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | | | | 61.1 | 128.8 | 119.9 | -131.3 | 0 | 0 | 0 | 0 | 119.4 | | |
| 34 | G | 46.6 | Very low | 50.4 | Low | 66 Ų | 66 | 141.9 Ų | 141.9 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | | | trans | 102 | 94.5 | 142.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | | |
| 35 | Y | 47.4 | Very low | 50.6 | Low | 243 Ų | 243 | 138.1 Ų | 138.1 | 95% | 0.953 | 77% | 0.767 | S | S | * | * | | | trans | -33.3 | 135 | 154.2 | -58.4 | -93.6 | 0 | 0 | 0 | 113.6 | | |
| 36 | G | 49.8 | Very low | 50.8 | Low | 75 Ų | 75 | 139.2 Ų | 139.2 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | | | trans | 144.8 | 91 | 159.5 | 0 | 0 | 0 | 0 | 0 | 114 | | |
| 37 | Q | 58.1 | Low | 51.1 | Low | 166 Ų | 166 | 143.3 Ų | 143.3 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | -57.5 | 155.1 | 170.8 | -60.1 | -168.1 | -66.5 | 0 | 0 | 111.6 | T39 | Q37-T39 PolarHBondContact O-N 3.02Š|
| 38 | P | 57.3 | Low | 51.8 | Low | 136 Ų | 136 | 142.1 Ų | 142.1 | 88% | 0.883 | 76% | 0.758 | S | S | * | * | | | trans | -72.1 | 76.3 | 173 | 30.5 | -34.2 | 0 | 0 | 0 | 110.8 | G40 | P38-G40 PolarHBondContact O-N 2.73Š|
| 39 | T | 52 | Low | 52.1 | Low | 132 Ų | 132 | 144.9 Ų | 144.9 | 81% | 0.81 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.3 | 82.1 | 170.8 | 44.4 | 0 | 0 | 0 | 0 | 109.3 | Q37 | Q37-T39 PolarHBondContact O-N 3.02Š|
| 40 | G | 55.7 | Low | 52.4 | Low | 71 Ų | 71 | 141.8 Ų | 141.8 | 73% | 0.732 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -165.2 | -21.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | P38 | P38-G40 PolarHBondContact O-N 2.73Š|
| 41 | Q | 53.9 | Low | 52.9 | Low | 171 Ų | 171 | 137.9 Ų | 137.9 | 80% | 0.799 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -105.6 | 1.3 | -168.9 | -67.9 | -170.7 | 5.2 | 0 | 0 | 116.1 | | |
| 42 | S | 56.3 | Low | 53.4 | Low | 97 Ų | 97 | 139.1 Ų | 139.1 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -104.2 | 3.4 | -168.5 | -71 | 0 | 0 | 0 | 0 | 117.2 | | |
| 43 | Q | 54.1 | Low | 53.4 | Low | 155 Ų | 155 | 140 Ų | 140 | 72% | 0.724 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -94.7 | -33 | 178.3 | -69.7 | -152 | 42.8 | 0 | 0 | 114.7 | I45 K46 | Q43-I45 PolarHBondContact O-N 3.05Å; Q43-K46 PolarHBondContact O-N 2.97Å |
| 44 | M | 53.3 | Low | 53.8 | Low | 147 Ų | 147 | 139 Ų | 139 | 72% | 0.724 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -67.7 | -35.7 | -178.5 | -67.5 | -166.4 | -65.2 | 0 | 0 | 112.8 | K46 R47 Q48 | M44-K46 VanDerWaalsContact C-N 3.28Å; M44-K46 PolarHBondContact O-N 3.31Å; M44-R47 PolarHBondContact O-N 2.96Å; M44-Q48 PolarHBondContact O-N 2.8Å |
| 45 | I | 54.5 | Low | 53.9 | Low | 105 Ų | 105 | 143.6 Ų | 143.6 | 54% | 0.538 | 74% | 0.74 | S | S | . | * | H | α-helix | trans | -66.4 | -30 | -179.4 | -68.2 | 168.1 | 0 | 0 | 0 | 111.7 | Q43 Q49 | Q43-I45 PolarHBondContact O-N 3.05Å; I45-Q49 VanDerWaalsContact CG2-NE2 3.29Å; I45-Q49 WeakPolarHBondContact O-CG 3.21Å; I45-Q49 PolarHBondContact O-N 3.28Å |
| 46 | K | 55.1 | Low | 53.8 | Low | 152 Ų | 152 | 139.2 Ų | 139.2 | 66% | 0.661 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -73.3 | -29.6 | 179.1 | -74 | -174.6 | 178.8 | -178.2 | 0 | 113.5 | Q43 M44 | Q43-K46 PolarHBondContact O-N 2.97Å; M44-K46 VanDerWaalsContact C-N 3.28Å; M44-K46 PolarHBondContact O-N 3.31Å |
| 47 | R | 56.3 | Low | 53.6 | Low | 190 Ų | 190 | 138.7 Ų | 138.7 | 72% | 0.717 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -76.4 | -34.8 | 176.5 | -71.5 | -169.7 | -159.4 | -161.4 | 4.8 | 112.6 | M44 | M44-R47 PolarHBondContact O-N 2.96Å |
| 48 | Q | 57.1 | Low | 53.1 | Low | 141 Ų | 141 | 138.7 Ų | 138.7 | 66% | 0.659 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -75.7 | -26.9 | -178.9 | -65.7 | -170.9 | 18.1 | 0 | 0 | 113.7 | M44 S52 | M44-Q48 PolarHBondContact O-N 2.8Å; Q48-S52 PolarHBondContact O-OG 3.09Å; Q48-S52 VanDerWaalsContact O-OG 3.09Å |
| 49 | Q | 54.9 | Low | 52.8 | Low | 139 Ų | 139 | 140.6 Ų | 140.6 | 65% | 0.65 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.5 | -15.7 | 176.8 | -69.8 | -172.4 | 35.7 | 0 | 0 | 114.1 | I45 | I45-Q49 VanDerWaalsContact CG2-NE2 3.29Å; I45-Q49 WeakPolarHBondContact O-CG 3.21Å; I45-Q49 PolarHBondContact O-N 3.28Å |
| 50 | Q | 54.3 | Low | 53.1 | Low | 158 Ų | 158 | 139 Ų | 139 | 74% | 0.738 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86 | -18.9 | 177.2 | -69.8 | -176.2 | 2.2 | 0 | 0 | 113.1 | | |
| 51 | Q | 55.6 | Low | 52.8 | Low | 172 Ų | 172 | 141.9 Ų | 141.9 | 80% | 0.804 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -88.6 | -8.7 | -179.2 | -67.5 | -175.8 | -41.8 | 0 | 0 | 113.9 | | |
| 52 | S | 53.9 | Low | 52.3 | Low | 85 Ų | 85 | 142.9 Ų | 142.9 | 59% | 0.594 | 71% | 0.713 | S | S | * | * | | | trans | -100.7 | 14.5 | -172.6 | 25 | 0 | 0 | 0 | 0 | 114.1 | Q48 P54 | Q48-S52 PolarHBondContact O-OG 3.09Å; Q48-S52 VanDerWaalsContact O-OG 3.09Å; S52-P54 WeakPolarHBondContact O-CD 3.43Å |
| 53 | R | 50.9 | Low | 51.5 | Low | 210 Ų | 210 | 140.8 Ų | 140.8 | 79% | 0.792 | 71% | 0.707 | S | S | * | * | | | trans | -82 | 112.2 | 169.5 | -71 | -173.4 | 168.5 | -142.2 | -3.8 | 109.2 | I55 | R53-I55 PolarHBondContact O-N 3.01Š|
| 54 | P | 51.9 | Low | 50.7 | Low | 109 Ų | 109 | 141.7 Ų | 141.7 | 71% | 0.708 | 71% | 0.711 | S | S | * | * | | | trans | -60.2 | 118 | 166.1 | 25.6 | -31 | 0 | 0 | 0 | 106.6 | S52 Q56 | S52-P54 WeakPolarHBondContact O-CD 3.43Å; P54-Q56 PolarHBondContact O-N 3.05Å |
| 55 | I | 49.2 | Very low | 50.2 | Low | 161 Ų | 161 | 142.5 Ų | 142.5 | 83% | 0.826 | 71% | 0.713 | S | S | * | * | | | trans | -63.2 | 89.8 | 168 | -56.6 | 170.4 | 0 | 0 | 0 | 104.8 | R53 A57 | R53-I55 PolarHBondContact O-N 3.01Å; I55-A57 PolarHBondContact O-N 3.11Å |
| 56 | Q | 46.2 | Very low | 49.4 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 71% | 0.71 | 72% | 0.721 | S | S | * | * | | | trans | -63.6 | 96.3 | 161.1 | -78.7 | -171.3 | 22.8 | 0 | 0 | 104.9 | P54 H58 | P54-Q56 PolarHBondContact O-N 3.05Å; Q56-H58 VanDerWaalsContact C-N 3.32Å; Q56-H58 PolarHBondContact O-N 3.33Å; Q56-H58 PolarHBondContact O-ND1 3.37Å |
| 57 | A | 45.5 | Very low | 48.5 | Very low | 63 Ų | 63 | 148.1 Ų | 148.1 | 52% | 0.521 | 73% | 0.731 | S | S | . | * | | | trans | -50.7 | 100.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | I55 F59 | I55-A57 PolarHBondContact O-N 3.11Å; A57-F59 VanDerWaalsContact C-N 3.26Å; A57-F59 HydrophobicContact CB-CD2 4.15Å; A57-F59 HydrophobicContact CB-CE2 3.76Å; A57-F59 HydrophobicContact CB-CZ 4.4Å; A57-F59 WeakPolarHBondContact O-CD2 3.48Å; A57-F59 PolarHBondContact O-N 2.78Å |
| 58 | H | 47 | Very low | 47.6 | Very low | 167 Ų | 167 | 142.4 Ų | 142.4 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | | | trans | -72.8 | 90.4 | 170.1 | -80.7 | 61.3 | 0 | 0 | 0 | 106.2 | Q56 | Q56-H58 VanDerWaalsContact C-N 3.32Å; Q56-H58 PolarHBondContact O-N 3.33Å; Q56-H58 PolarHBondContact O-ND1 3.37Å |
| 59 | F | 50.7 | Low | 47.1 | Very low | 175 Ų | 175 | 146.2 Ų | 146.2 | 77% | 0.768 | 74% | 0.742 | S | S | * | * | | | trans | -65.4 | 124.4 | 168.2 | -73.7 | -87.1 | 0 | 0 | 0 | 108.3 | A57 | A57-F59 VanDerWaalsContact C-N 3.26Å; A57-F59 HydrophobicContact CB-CD2 4.15Å; A57-F59 HydrophobicContact CB-CE2 3.76Å; A57-F59 HydrophobicContact CB-CZ 4.4Å; A57-F59 WeakPolarHBondContact O-CD2 3.48Å; A57-F59 PolarHBondContact O-N 2.78Å |
| 60 | P | 58.4 | Low | 46.7 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | | | trans | -64.1 | 141 | 169.1 | 27.2 | -31.9 | 0 | 0 | 0 | 108.7 | Q62 | P60-Q62 PolarHBondContact O-N 3.34Š|
| 61 | P | 50.1 | Low | 46.4 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 86% | 0.857 | 75% | 0.753 | S | S | * | * | | | trans | -61.7 | 113.4 | 175 | 24.6 | -30.7 | 0 | 0 | 0 | 108.5 | G63 | P61-G63 PolarHBondContact O-N 3.41Š|
| 62 | Q | 43.1 | Very low | 46 | Very low | 192 Ų | 192 | 146 Ų | 146 | 90% | 0.897 | 75% | 0.751 | S | S | * | * | | | trans | -66.4 | 94.9 | 177 | -75.1 | 180 | -10.7 | 0 | 0 | 109.5 | P60 | P60-Q62 PolarHBondContact O-N 3.34Š|
| 63 | G | 39.4 | Very low | 45.7 | Very low | 53 Ų | 53 | 150.7 Ų | 150.7 | 55% | 0.546 | 76% | 0.763 | S | S | . | * | | | trans | -86.5 | 108.1 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | P61 | P61-G63 PolarHBondContact O-N 3.41Š|
| 64 | H | 38.1 | Very low | 45.5 | Very low | 174 Ų | 174 | 146.6 Ų | 146.6 | 81% | 0.806 | 76% | 0.756 | S | S | * | * | | | trans | 64.6 | 135.5 | 149.1 | -52 | -84.9 | 0 | 0 | 0 | 120.4 | | |
| 65 | Q | 41.3 | Very low | 45.5 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | | | trans | 94.2 | 97.2 | 152.1 | -45.4 | -143.3 | 4 | 0 | 0 | 115.1 | | |
| 66 | Q | 39 | Very low | 45.5 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 71% | 0.71 | 75% | 0.754 | S | S | * | * | | | | 82.6 | 109 | 89.1 | -87.8 | -174.1 | -93.1 | 0 | 0 | 112.8 | | |
| 67 | Y | 35.3 | Very low | 46.1 | Very low | 222 Ų | 222 | 149.2 Ų | 149.2 | 87% | 0.871 | 76% | 0.757 | S | S | * | * | | | trans | 51.6 | 106.5 | 148.9 | -66.8 | -90.1 | 0 | 0 | 0 | 118.7 | | |
| 68 | G | 37.9 | Very low | 47 | Very low | 70 Ų | 70 | 150.6 Ų | 150.6 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | | | trans | 170 | 96.8 | 158.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | | |
| 69 | Y | 46.9 | Very low | 47.7 | Very low | 222 Ų | 222 | 146.7 Ų | 146.7 | 87% | 0.871 | 75% | 0.75 | S | S | * | * | | | trans | 31 | 135.6 | 158.4 | -69.3 | -91.8 | 0 | 0 | 0 | 121.1 | E71 | Y69-E71 PolarHBondContact O-N 3.47Š|
| 70 | P | 44.9 | Very low | 47.9 | Very low | 120 Ų | 120 | 146.3 Ų | 146.3 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | | | trans | -75.6 | 94.7 | 176.7 | 32.6 | -30.6 | 0 | 0 | 0 | 109.4 | Q72 | P70-Q72 PolarHBondContact O-N 2.87Š|
| 71 | E | 49.2 | Very low | 47.7 | Very low | 180 Ų | 180 | 150 Ų | 150 | 84% | 0.841 | 75% | 0.753 | S | S | * | * | | | trans | -69.9 | 120.7 | 164.6 | -83.5 | -141.4 | 121.8 | 0 | 0 | 109.2 | Y69 H73 | Y69-E71 PolarHBondContact O-N 3.47Å; E71-H73 PolarHBondContact O-N 3.07Å |
| 72 | Q | 47.3 | Very low | 47.4 | Very low | 165 Ų | 165 | 152.1 Ų | 152.1 | 77% | 0.771 | 75% | 0.745 | S | S | * | * | | | trans | -62.4 | 117.9 | -178.3 | -60.5 | 171.3 | 14 | 0 | 0 | 108.4 | P70 L74 | P70-Q72 PolarHBondContact O-N 2.87Å; Q72-L74 HydrophobicContact CB-CD1 4.19Å; Q72-L74 PolarHBondContact O-N 3.45Å |
| 73 | H | 48.2 | Very low | 47.8 | Very low | 183 Ų | 183 | 149.2 Ų | 149.2 | 85% | 0.847 | 74% | 0.736 | S | S | * | * | | | trans | -68.2 | 78.4 | 163.3 | -77.7 | -108.1 | 0 | 0 | 0 | 108.3 | E71 V75 | E71-H73 PolarHBondContact O-N 3.07Å; H73-V75 VanDerWaalsContact C-N 3.25Å; H73-V75 PolarHBondContact O-N 3.13Å |
| 74 | L | 46.6 | Very low | 48.4 | Very low | 123 Ų | 123 | 153.9 Ų | 153.9 | 64% | 0.644 | 75% | 0.748 | S | S | * | * | | | trans | -67.8 | 96 | 156 | -101.6 | 96.7 | 0 | 0 | 0 | 106.1 | Q72 Y76 | Q72-L74 HydrophobicContact CB-CD1 4.19Å; Q72-L74 PolarHBondContact O-N 3.45Å; L74-Y76 HydrophobicContact CD2-CD2 4.49Å; L74-Y76 PolarHBondContact O-N 2.78Å |
| 75 | V | 50.2 | Low | 48.9 | Very low | 126 Ų | 126 | 150.6 Ų | 150.6 | 76% | 0.764 | 74% | 0.735 | S | S | * | * | | | trans | -66.9 | 89.3 | 165.7 | -172.9 | 0 | 0 | 0 | 0 | 106 | H73 E77 | H73-V75 VanDerWaalsContact C-N 3.25Å; H73-V75 PolarHBondContact O-N 3.13Å; V75-E77 VanDerWaalsContact C-N 3.34Å; V75-E77 PolarHBondContact O-N 3.18Å; V75-E77 VanDerWaalsContact O-N 3.07Å |
| 76 | Y | 50.2 | Low | 49.2 | Very low | 188 Ų | 188 | 145.9 Ų | 145.9 | 74% | 0.737 | 73% | 0.731 | S | S | * | * | | | trans | -72.9 | 95 | 169.1 | -132.7 | -90.1 | 0 | 0 | 0 | 106.1 | L74 P78 | L74-Y76 HydrophobicContact CD2-CD2 4.49Å; L74-Y76 PolarHBondContact O-N 2.78Å; Y76-P78 WeakPolarHBondContact O-CD 3.42Å |
| 77 | E | 59.3 | Low | 49.7 | Very low | 164 Ų | 164 | 149.7 Ų | 149.7 | 77% | 0.766 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 121.6 | 161.3 | -96.9 | -175.2 | 157.1 | 0 | 0 | 106.8 | V75 | V75-E77 VanDerWaalsContact C-N 3.34Å; V75-E77 PolarHBondContact O-N 3.18Å; V75-E77 VanDerWaalsContact O-N 3.07Å |
| 78 | P | 63.4 | Low | 50.4 | Low | 91 Ų | 91 | 142.1 Ų | 142.1 | 59% | 0.591 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 128.7 | 172.2 | 25 | -31 | 0 | 0 | 0 | 106.8 | Y76 Q80 | Y76-P78 WeakPolarHBondContact O-CD 3.42Å; P78-Q80 PolarHBondContact O-N 2.67Å; P78-Q80 VanDerWaalsContact O-N 3.15Å |
| 79 | P | 62.6 | Low | 51 | Low | 85 Ų | 85 | 147.2 Ų | 147.2 | 55% | 0.552 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 129.1 | 175.9 | 28.5 | -34.3 | 0 | 0 | 0 | 106.6 | Y81 | P79-Y81 HydrophobicContact CB-CD2 3.55Å; P79-Y81 HydrophobicContact CB-CE2 3.76Å; P79-Y81 HydrophobicContact CG-CD2 3.73Å; P79-Y81 HydrophobicContact CG-CE2 4.07Å; P79-Y81 PolarHBondContact O-N 3.15Å |
| 80 | Q | 53.8 | Low | 51.3 | Low | 167 Ų | 167 | 144.1 Ų | 144.1 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | | | trans | -67.9 | 63.1 | 179.4 | -64.3 | -80.7 | -65.6 | 0 | 0 | 109.2 | P78 Y82 | P78-Q80 PolarHBondContact O-N 2.67Å; P78-Q80 VanDerWaalsContact O-N 3.15Å; Q80-Y82 PolarHBondContact O-N 3.48Å |
| 81 | Y | 54 | Low | 52 | Low | 177 Ų | 177 | 143.1 Ų | 143.1 | 69% | 0.694 | 72% | 0.724 | S | S | * | * | | | trans | -83.1 | 108.3 | 167.4 | -85.7 | -91.2 | 0 | 0 | 0 | 105.2 | P79 | P79-Y81 HydrophobicContact CB-CD2 3.55Å; P79-Y81 HydrophobicContact CB-CE2 3.76Å; P79-Y81 HydrophobicContact CG-CD2 3.73Å; P79-Y81 HydrophobicContact CG-CE2 4.07Å; P79-Y81 PolarHBondContact O-N 3.15Å |
| 82 | Y | 44.6 | Very low | 52.5 | Low | 176 Ų | 176 | 139.8 Ų | 139.8 | 69% | 0.69 | 72% | 0.718 | S | S | * | * | | | trans | 83.2 | 76.9 | 171.1 | -47.5 | -77.8 | 0 | 0 | 0 | 116.4 | Q80 I85 | Q80-Y82 PolarHBondContact O-N 3.48Å; Y82-I85 HydrophobicContact CD1-CD1 3.96Å; Y82-I85 HydrophobicContact CD1-CG1 4.23Å; Y82-I85 HydrophobicContact CE1-CD1 4.12Å |
| 83 | D | 51.2 | Low | 53 | Low | 131 Ų | 131 | 139 Ų | 139 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -132.6 | 120.2 | 142.7 | -96.7 | -26 | 0 | 0 | 0 | 107.3 | | |
| 84 | N | 51.5 | Low | 53.4 | Low | 151 Ų | 151 | 135.4 Ų | 135.4 | 81% | 0.807 | 71% | 0.714 | S | S | * | * | | | trans | 80.6 | 56.4 | -179.3 | -42.7 | -43.3 | 0 | 0 | 0 | 115.4 | G86 | N84-G86 PolarHBondContact O-N 3Š|
| 85 | I | 49.5 | Very low | 53.9 | Low | 105 Ų | 105 | 139.8 Ų | 139.8 | 54% | 0.538 | 72% | 0.724 | S | S | . | * | | | trans | -69.1 | 89.6 | 132.8 | -33.9 | 177.8 | 0 | 0 | 0 | 105.7 | Y82 W87 | Y82-I85 HydrophobicContact CD1-CD1 3.96Å; Y82-I85 HydrophobicContact CD1-CG1 4.23Å; Y82-I85 HydrophobicContact CE1-CD1 4.12Å; I85-W87 HydrophobicContact CG2-CD2 4.14Å; I85-W87 HydrophobicContact CG2-CG 3.84Å; I85-W87 HydrophobicContact CG2-CZ2 4.41Å; I85-W87 PolarHBondContact O-N 2.77Å |
| 86 | G | 46.8 | Very low | 54.5 | Low | 66 Ų | 66 | 141.3 Ų | 141.3 | 68% | 0.68 | 72% | 0.723 | S | S | * | * | | | trans | -67.7 | 58.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | N84 G88 | N84-G86 PolarHBondContact O-N 3Å; G86-G88 PolarHBondContact O-N 3.34Å |
| 87 | W | 51.1 | Low | 55 | Low | 231 Ų | 231 | 137.7 Ų | 137.7 | 88% | 0.875 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | 69 | 160.1 | -63.6 | 121.9 | 0 | 0 | 0 | 107.2 | I85 | I85-W87 HydrophobicContact CG2-CD2 4.14Å; I85-W87 HydrophobicContact CG2-CG 3.84Å; I85-W87 HydrophobicContact CG2-CZ2 4.41Å; I85-W87 PolarHBondContact O-N 2.77Å |
| 88 | G | 48.4 | Very low | 55 | Low | 64 Ų | 64 | 135.7 Ų | 135.7 | 66% | 0.66 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -156.8 | -28.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116 | G86 N90 | G86-G88 PolarHBondContact O-N 3.34Å; G88-N90 VanDerWaalsContact C-N 3.32Å; G88-N90 PolarHBondContact O-N 3.04Å |
| 89 | E | 51.9 | Low | 54.2 | Low | 177 Ų | 177 | 134.9 Ų | 134.9 | 83% | 0.827 | 73% | 0.729 | S | S | * | * | | | trans | -96.5 | 63.1 | 170 | -68.8 | -173.7 | 176.8 | 0 | 0 | 109.6 | V91 | E89-V91 HydrophobicContact CB-CG2 4.43Å; E89-V91 PolarHBondContact O-N 2.8Å |
| 90 | N | 52.3 | Low | 53.9 | Low | 156 Ų | 156 | 138.4 Ų | 138.4 | 83% | 0.834 | 74% | 0.738 | S | S | * | * | | | trans | -68.8 | 82.8 | 141.6 | -83.6 | -45.8 | 0 | 0 | 0 | 104.8 | G88 P92 | G88-N90 VanDerWaalsContact C-N 3.32Å; G88-N90 PolarHBondContact O-N 3.04Å; N90-P92 WeakPolarHBondContact O-CD 3.21Å |
| 91 | V | 59.5 | Low | 54.3 | Low | 100 Ų | 100 | 136.3 Ų | 136.3 | 61% | 0.606 | 74% | 0.739 | S | S | * | * | | | trans | -50 | 115.5 | 155 | 179.5 | 0 | 0 | 0 | 0 | 103.8 | E89 D93 | E89-V91 HydrophobicContact CB-CG2 4.43Å; E89-V91 PolarHBondContact O-N 2.8Å; V91-D93 VanDerWaalsContact C-N 3.34Å; V91-D93 PolarHBondContact O-N 2.9Å |
| 92 | P | 59.1 | Low | 54.3 | Low | 110 Ų | 110 | 137.9 Ų | 137.9 | 71% | 0.714 | 75% | 0.746 | S | S | * | * | | | trans | -58.8 | 113.1 | 165.7 | 24 | -27.7 | 0 | 0 | 0 | 103.9 | N90 S94 | N90-P92 WeakPolarHBondContact O-CD 3.21Å; P92-S94 VanDerWaalsContact C-N 3.29Å; P92-S94 PolarHBondContact O-N 2.95Å |
| 93 | D | 58.9 | Low | 54.9 | Low | 148 Ų | 148 | 134.1 Ų | 134.1 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | | | trans | -47 | 109.7 | 164.6 | -96.2 | -24.8 | 0 | 0 | 0 | 104.3 | V91 Y95 | V91-D93 VanDerWaalsContact C-N 3.34Å; V91-D93 PolarHBondContact O-N 2.9Å; D93-Y95 PolarHBondContact O-N 2.72Å |
| 94 | S | 57 | Low | 55.1 | Low | 107 Ų | 107 | 138.8 Ų | 138.8 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | | | trans | -67.1 | 91.7 | 178.4 | 57.3 | 0 | 0 | 0 | 0 | 104.6 | P92 E96 | P92-S94 VanDerWaalsContact C-N 3.29Å; P92-S94 PolarHBondContact O-N 2.95Å; S94-E96 PolarHBondContact O-N 2.8Å |
| 95 | Y | 57.1 | Low | 55.5 | Low | 215 Ų | 215 | 136.2 Ų | 136.2 | 84% | 0.843 | 75% | 0.746 | S | S | * | * | | | trans | -66.5 | 86 | 167.2 | -137.5 | -87.9 | 0 | 0 | 0 | 104.5 | D93 P97 | D93-Y95 PolarHBondContact O-N 2.72Å; Y95-P97 VanDerWaalsContact O-CD 3.23Å; Y95-P97 WeakPolarHBondContact O-CD 3.23Å |
| 96 | E | 62.2 | Low | 56 | Low | 158 Ų | 158 | 139.7 Ų | 139.7 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | | | trans | -58 | 118.8 | 158.4 | -80.3 | -165.9 | 160.6 | 0 | 0 | 105 | S94 V98 | S94-E96 PolarHBondContact O-N 2.8Å; E96-V98 VanDerWaalsContact C-N 3.33Å; E96-V98 PolarHBondContact O-N 2.79Å |
| 97 | P | 61.3 | Low | 56.6 | Low | 112 Ų | 112 | 145.6 Ų | 145.6 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | | | trans | -60.9 | 108.8 | 165.1 | 26 | -29.6 | 0 | 0 | 0 | 105.1 | Y95 G99 | Y95-P97 VanDerWaalsContact O-CD 3.23Å; Y95-P97 WeakPolarHBondContact O-CD 3.23Å; P97-G99 PolarHBondContact O-N 2.89Å |
| 98 | V | 57.8 | Low | 57 | Low | 123 Ų | 123 | 137.9 Ų | 137.9 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | | | trans | -55.7 | 103.3 | 166.1 | 178 | 0 | 0 | 0 | 0 | 104.5 | E96 E100 | E96-V98 VanDerWaalsContact C-N 3.33Å; E96-V98 PolarHBondContact O-N 2.79Å; V98-E100 PolarHBondContact O-N 2.81Å |
| 99 | G | 48 | Very low | 57.5 | Low | 74 Ų | 74 | 143 Ų | 143 | 76% | 0.763 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -74.2 | 77.2 | -170 | 0 | 0 | 0 | 0 | 0 | 110.1 | P97 | P97-G99 PolarHBondContact O-N 2.89Š|
| 100 | E | 56.2 | Low | 57.9 | Low | 158 Ų | 158 | 144 Ų | 144 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -140.6 | 132 | 150.2 | -67.4 | -157.7 | -177.5 | 0 | 0 | 107.9 | V98 Y102 | V98-E100 PolarHBondContact O-N 2.81Å; E100-Y102 PolarHBondContact O-N 3.04Å |
| 101 | P | 61.5 | Low | 58.1 | Low | 124 Ų | 124 | 144.5 Ų | 144.5 | 81% | 0.805 | 76% | 0.758 | S | S | * | * | | | trans | -62.5 | 115.2 | 169.1 | 26.6 | -27.9 | 0 | 0 | 0 | 106.1 | A103 | P101-A103 VanDerWaalsContact C-N 3.34Å; P101-A103 PolarHBondContact O-N 3.14Å |
| 102 | Y | 54.7 | Low | 58.1 | Low | 210 Ų | 210 | 146.9 Ų | 146.9 | 82% | 0.824 | 77% | 0.767 | S | S | * | * | | | trans | -50.9 | 109.1 | 162.1 | -72 | -85.2 | 0 | 0 | 0 | 105.7 | E100 Y104 | E100-Y102 PolarHBondContact O-N 3.04Å; Y102-Y104 VanDerWaalsContact C-N 3.33Å; Y102-Y104 PolarHBondContact O-N 3.15Å |
| 103 | A | 57.9 | Low | 58 | Low | 97 Ų | 97 | 150.2 Ų | 150.2 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | trans | -56.5 | 108.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 104.7 | P101 D105 | P101-A103 VanDerWaalsContact C-N 3.34Å; P101-A103 PolarHBondContact O-N 3.14Å; A103-D105 VanDerWaalsContact C-N 3.31Å; A103-D105 PolarHBondContact O-N 2.84Å |
| 104 | Y | 54.5 | Low | 57.7 | Low | 229 Ų | 229 | 145.6 Ų | 145.6 | 90% | 0.898 | 76% | 0.762 | S | S | * | * | | | trans | -57.3 | 102.9 | 171.5 | -91.7 | -92.6 | 0 | 0 | 0 | 106.2 | Y102 E106 | Y102-Y104 VanDerWaalsContact C-N 3.33Å; Y102-Y104 PolarHBondContact O-N 3.15Å; Y104-E106 VanDerWaalsContact C-N 3.35Å; Y104-E106 PolarHBondContact O-N 2.89Å; Y104-E106 VanDerWaalsContact O-N 3.16Å |
| 105 | D | 59.3 | Low | 57.3 | Low | 96 Ų | 96 | 148 Ų | 148 | 51% | 0.513 | 77% | 0.767 | S | S | . | * | | | trans | -69 | 101.6 | 158.3 | 175 | 4.2 | 0 | 0 | 0 | 105.8 | A103 Y107 A108 | A103-D105 VanDerWaalsContact C-N 3.31Å; A103-D105 PolarHBondContact O-N 2.84Å; D105-Y107 PolarHBondContact O-N 2.88Å; D105-Y107 VanDerWaalsContact OD1-CA 3.23Å; D105-Y107 WeakPolarHBondContact OD1-CA 3.38Å; D105-Y107 WeakPolarHBondContact OD1-CB 3.21Å; D105-Y107 PolarHBondContact OD1-N 3.18Å; D105-A108 HydrophobicContact CB-CB 4.05Å; D105-A108 PolarHBondContact O-N 2.86Å; D105-A108 VanDerWaalsContact O-N 3.11Å; D105-A108 PolarHBondContact OD1-N 3.16Å |
| 106 | E | 60.1 | Low | 57.2 | Low | 178 Ų | 178 | 144.8 Ų | 144.8 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -4.7 | 174.9 | -164 | 171.5 | -171.9 | 0 | 0 | 112.5 | Y104 | Y104-E106 VanDerWaalsContact C-N 3.35Å; Y104-E106 PolarHBondContact O-N 2.89Å; Y104-E106 VanDerWaalsContact O-N 3.16Å |
| 107 | Y | 59.9 | Low | 56.8 | Low | 191 Ų | 191 | 142.6 Ų | 142.6 | 75% | 0.749 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.6 | 8.7 | 178.7 | -52.9 | -80.8 | 0 | 0 | 0 | 113.8 | D105 E109 | D105-Y107 PolarHBondContact O-N 2.88Å; D105-Y107 VanDerWaalsContact OD1-CA 3.23Å; D105-Y107 WeakPolarHBondContact OD1-CA 3.38Å; D105-Y107 WeakPolarHBondContact OD1-CB 3.21Å; D105-Y107 PolarHBondContact OD1-N 3.18Å; Y107-E109 PolarHBondContact O-N 3.11Å |
| 108 | A | 58.6 | Low | 56.8 | Low | 69 Ų | 69 | 145 Ų | 145 | 57% | 0.57 | 76% | 0.763 | S | S | * | * | | | trans | -70 | 95.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | D105 E110 | D105-A108 HydrophobicContact CB-CB 4.05Å; D105-A108 PolarHBondContact O-N 2.86Å; D105-A108 VanDerWaalsContact O-N 3.11Å; D105-A108 PolarHBondContact OD1-N 3.16Å; A108-E110 PolarHBondContact O-N 3.02Å |
| 109 | E | 59.4 | Low | 57 | Low | 172 Ų | 172 | 147.5 Ų | 147.5 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | | | trans | -39.9 | 122.2 | 178.3 | -69.5 | 179.7 | 157.1 | 0 | 0 | 111.7 | Y107 Q111 | Y107-E109 PolarHBondContact O-N 3.11Å; E109-Q111 VanDerWaalsContact C-N 3.32Å; E109-Q111 PolarHBondContact O-N 3.26Å |
| 110 | E | 59.8 | Low | 57.7 | Low | 197 Ų | 197 | 153.1 Ų | 153.1 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | | | trans | -55.3 | 96.7 | 165.1 | -73.3 | -178 | 154.1 | 0 | 0 | 108.3 | A108 D112 | A108-E110 PolarHBondContact O-N 3.02Å; E110-D112 PolarHBondContact O-N 3.34Å |
| 111 | Q | 58.4 | Low | 58.4 | Low | 167 Ų | 167 | 156.3 Ų | 156.3 | 78% | 0.78 | 77% | 0.772 | S | S | * | * | | | trans | -71.9 | 92.3 | 165.7 | -74.5 | -167.8 | -2.4 | 0 | 0 | 107.7 | E109 M113 | E109-Q111 VanDerWaalsContact C-N 3.32Å; E109-Q111 PolarHBondContact O-N 3.26Å; Q111-M113 PolarHBondContact O-N 2.9Å |
| 112 | D | 58.3 | Low | 58.4 | Low | 150 Ų | 150 | 159.2 Ų | 159.2 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | | | trans | -44.2 | 85.1 | 159.6 | -176.6 | 20.7 | 0 | 0 | 0 | 110.2 | E110 G114 | E110-D112 PolarHBondContact O-N 3.34Å; D112-G114 PolarHBondContact O-N 2.83Å |
| 113 | M | 56.8 | Low | 59.1 | Low | 179 Ų | 179 | 155.8 Ų | 155.8 | 88% | 0.882 | 78% | 0.776 | S | S | * | * | | | trans | -80.2 | 74.7 | 169.7 | -73.7 | -141.9 | -67 | 0 | 0 | 108.9 | Q111 | Q111-M113 PolarHBondContact O-N 2.9Š|
| 114 | G | 52.6 | Low | 58.9 | Low | 51 Ų | 51 | 163.9 Ų | 163.9 | 53% | 0.526 | 79% | 0.793 | S | S | . | * | | | trans | 10.3 | 115.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 116.9 | D112 D116 | D112-G114 PolarHBondContact O-N 2.83Å; G114-D116 PolarHBondContact O-N 2.91Å |
| 115 | D | 48.8 | Very low | 59.2 | Low | 158 Ų | 158 | 160.6 Ų | 160.6 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | | | trans | -28.4 | 115.7 | 131.8 | -95.5 | -29.1 | 0 | 0 | 0 | 109.6 | | |
| 116 | D | 54.4 | Low | 59.2 | Low | 147 Ų | 147 | 164 Ų | 164 | 79% | 0.786 | 80% | 0.802 | S | S | * | * | | | trans | 178.8 | 121.3 | 144.4 | -91.9 | -20.5 | 0 | 0 | 0 | 113.4 | G114 | G114-D116 PolarHBondContact O-N 2.91Š|
| 117 | N | 55.5 | Low | 59.1 | Low | 112 Ų | 112 | 163.2 Ų | 163.2 | 60% | 0.599 | 80% | 0.8 | S | S | * | * | | | trans | 89.3 | 45.3 | 154.6 | -63 | -66.1 | 0 | 0 | 0 | 121.2 | K119 | N117-K119 PolarHBondContact O-N 2.94Å; N117-K119 WeakPolarHBondContact OD1-CE 3.23Å |
| 118 | I | 60.4 | Low | 59.1 | Low | 164 Ų | 164 | 161.6 Ų | 161.6 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | | | trans | -74.4 | 74.7 | 152.1 | -52.2 | 173.9 | 0 | 0 | 0 | 109.1 | K120 | I118-K120 PolarHBondContact O-N 2.82Å; I118-K120 VanDerWaalsContact O-N 3.15Å |
| 119 | K | 62.8 | Low | 59.1 | Low | 174 Ų | 174 | 167.4 Ų | 167.4 | 76% | 0.757 | 82% | 0.818 | S | S | * | * | | | trans | -75.5 | 97.5 | 168.2 | -73.5 | -177.6 | -178.1 | 170.6 | 0 | 108.8 | N117 R121 | N117-K119 PolarHBondContact O-N 2.94Å; N117-K119 WeakPolarHBondContact OD1-CE 3.23Å; K119-R121 PolarHBondContact O-N 2.77Å; K119-R121 VanDerWaalsContact O-N 3.14Å |
| 120 | K | 62.5 | Low | 59.1 | Low | 192 Ų | 192 | 167.1 Ų | 167.1 | 84% | 0.835 | 82% | 0.819 | S | S | * | * | | | trans | -60.5 | 109.6 | 165.4 | -62 | -177.2 | -179.8 | 178.2 | 0 | 108.5 | I118 | I118-K120 PolarHBondContact O-N 2.82Å; I118-K120 VanDerWaalsContact O-N 3.15Å |
| 121 | R | 70.5 | Confident | 59 | Low | 225 Ų | 225 | 164.9 Ų | 164.9 | 85% | 0.849 | 81% | 0.812 | S | S | * | * | | | trans | -98.3 | 103.8 | 166.3 | -177.1 | 176 | -72.5 | 165.5 | -1.7 | 108.3 | K119 | K119-R121 PolarHBondContact O-N 2.77Å; K119-R121 VanDerWaalsContact O-N 3.14Å |
| 122 | E | 61.3 | Low | 59.1 | Low | 185 Ų | 185 | 164.8 Ų | 164.8 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | trans | -65 | 130 | 163.9 | -64.6 | 180 | 163.3 | 0 | 0 | 108.7 | | |
| 123 | V | 68.6 | Low | 59.1 | Low | 139 Ų | 139 | 166 Ų | 166 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | | | trans | -102.8 | 120 | 167.5 | -178.9 | 0 | 0 | 0 | 0 | 106.6 | | |
| 124 | K | 55.6 | Low | 59.4 | Low | 266 Ų | 266 | 164.8 Ų | 164.8 | 100% | 1.157 | 81% | 0.809 | S | S | * | * | | | trans | -98.9 | 0 | 176.6 | -162.9 | -179.1 | -173.4 | 179.5 | 0 | 109.7 | | |