| 1 | M | 37.2 | Very low | 40.5 | Very low | 225 Ų | 225 | 153.3 Ų | 153.3 | 100% | 1.108 | 81% | 0.813 | S | S | * | * | | | | 0 | 93.3 | 0 | -169.8 | 174.5 | 94.9 | 0 | 0 | 107.3 | | |
| 2 | I | 42.8 | Very low | 40.3 | Very low | 157 Ų | 157 | 151.8 Ų | 151.8 | 81% | 0.805 | 81% | 0.813 | S | S | * | * | | | trans | -123.4 | 104.7 | 173.1 | -62.8 | 172.8 | 0 | 0 | 0 | 104.5 | L4 | I2-L4 HydrophobicContact CG2-CD1 4.15Š|
| 3 | T | 34.1 | Very low | 40.6 | Very low | 113 Ų | 113 | 153.7 Ų | 153.7 | 69% | 0.693 | 81% | 0.814 | S | S | * | * | | | trans | -85 | 110.2 | 176.5 | 35.4 | 0 | 0 | 0 | 0 | 108.5 | | |
| 4 | L | 43.2 | Very low | 40.7 | Very low | 163 Ų | 163 | 153.4 Ų | 153.4 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | | | trans | -92.1 | 106.4 | 160.1 | -103.5 | 83.9 | 0 | 0 | 0 | 107.9 | I2 | I2-L4 HydrophobicContact CG2-CD1 4.15Š|
| 5 | T | 44 | Very low | 40.4 | Very low | 116 Ų | 116 | 152.7 Ų | 152.7 | 71% | 0.712 | 82% | 0.817 | S | S | * | * | | | trans | -81.9 | 129.6 | 172.4 | 42.6 | 0 | 0 | 0 | 0 | 110.8 | | |
| 6 | D | 36.8 | Very low | 40.1 | Very low | 153 Ų | 153 | 149.9 Ų | 149.9 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | | | trans | 41 | 91.7 | 143.7 | -66.7 | -30.3 | 0 | 0 | 0 | 118.6 | Q8 | D6-Q8 PolarHBondContact O-N 3.06Š|
| 7 | I | 43.2 | Very low | 40.4 | Very low | 177 Ų | 177 | 151 Ų | 151 | 91% | 0.908 | 82% | 0.816 | S | S | * | * | | | trans | -83.3 | 95 | 151.1 | -61.7 | 176.1 | 0 | 0 | 0 | 107.5 | | |
| 8 | Q | 40.2 | Very low | 40.2 | Very low | 158 Ų | 158 | 150.7 Ų | 150.7 | 74% | 0.738 | 81% | 0.814 | S | S | * | * | | | trans | -31.5 | 122.1 | 171 | -154.5 | 174.6 | 20.6 | 0 | 0 | 114.6 | D6 T10 | D6-Q8 PolarHBondContact O-N 3.06Å; Q8-T10 PolarHBondContact O-N 2.87Å |
| 9 | K | 36.7 | Very low | 40.4 | Very low | 211 Ų | 211 | 149.9 Ų | 149.9 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | | | trans | -52.4 | 103.8 | 158.5 | -89.7 | 173.9 | 168.9 | 172.8 | 0 | 109.8 | | |
| 10 | T | 47.3 | Very low | 40.1 | Very low | 122 Ų | 122 | 148.2 Ų | 148.2 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | | | trans | -94 | 102.9 | 166 | 37 | 0 | 0 | 0 | 0 | 110.4 | Q8 | Q8-T10 PolarHBondContact O-N 2.87Š|
| 11 | S | 39.9 | Very low | 40.4 | Very low | 91 Ų | 91 | 146.7 Ų | 146.7 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | | | trans | 52.2 | 98.3 | 134 | -166.7 | 0 | 0 | 0 | 0 | 118.1 | Q13 | S11-Q13 PolarHBondContact O-N 3.22Å; S11-Q13 VanDerWaalsContact O-N 3.08Å |
| 12 | V | 38.1 | Very low | 40.4 | Very low | 135 Ų | 135 | 142.4 Ų | 142.4 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | | | trans | -63 | 96.8 | 154.3 | -173.7 | 0 | 0 | 0 | 0 | 107.7 | | |
| 13 | Q | 43.9 | Very low | 40.7 | Very low | 177 Ų | 177 | 141.6 Ų | 141.6 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | | | trans | -85 | 112.5 | 167.7 | -96 | -175 | 2.7 | 0 | 0 | 109.4 | S11 | S11-Q13 PolarHBondContact O-N 3.22Å; S11-Q13 VanDerWaalsContact O-N 3.08Å |
| 14 | N | 42.1 | Very low | 40.9 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | | | trans | -61.7 | 140.6 | 173.1 | -77.7 | -21.4 | 0 | 0 | 0 | 111.8 | | |
| 15 | V | 36.6 | Very low | 40.8 | Very low | 143 Ų | 143 | 142.1 Ų | 142.1 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | | | trans | -58.3 | 128.3 | 170.1 | 174.7 | 0 | 0 | 0 | 0 | 111.5 | | |
| 16 | S | 36.1 | Very low | 40.8 | Very low | 108 Ų | 108 | 140.8 Ų | 140.8 | 76% | 0.755 | 78% | 0.776 | S | S | * | * | | | trans | -164.5 | 99.8 | 139.7 | 66.2 | 0 | 0 | 0 | 0 | 110 | | |
| 17 | I | 44.7 | Very low | 41.2 | Very low | 168 Ų | 168 | 141 Ų | 141 | 86% | 0.862 | 77% | 0.774 | S | S | * | * | | | trans | -111.5 | 93.1 | 166 | -57 | 175.2 | 0 | 0 | 0 | 106.6 | | |
| 18 | N | 36.8 | Very low | 41.4 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | | | trans | -88 | 150 | 159.5 | -94.6 | -11.9 | 0 | 0 | 0 | 108.4 | | |
| 19 | N | 43.2 | Very low | 41.7 | Very low | 135 Ų | 135 | 137.5 Ų | 137.5 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | | | trans | 103.1 | 85.1 | 168.4 | -58 | -4.2 | 0 | 0 | 0 | 116.1 | V21 | N19-V21 PolarHBondContact O-N 2.99Š|
| 20 | S | 35 | Very low | 42.4 | Very low | 116 Ų | 116 | 134.6 Ų | 134.6 | 81% | 0.811 | 75% | 0.752 | S | S | * | * | | | | 16.4 | 78.6 | 119.2 | 62.2 | 0 | 0 | 0 | 0 | 116.9 | | |
| 21 | V | 46.5 | Very low | 42.9 | Very low | 116 Ų | 116 | 136 Ų | 136 | 70% | 0.703 | 75% | 0.753 | S | S | * | * | | | trans | -139.3 | 122.9 | 156.1 | -176.7 | 0 | 0 | 0 | 0 | 108.7 | N19 I23 | N19-V21 PolarHBondContact O-N 2.99Å; V21-I23 PolarHBondContact O-N 3.44Å; V21-I23 VanDerWaalsContact O-N 3.14Å |
| 22 | N | 36.9 | Very low | 43.5 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 73% | 0.727 | 74% | 0.741 | S | S | * | * | | | trans | -56 | 100.8 | 175.7 | -171.4 | 3.3 | 0 | 0 | 0 | 110.9 | | |
| 23 | I | 49.8 | Very low | 44.1 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 72% | 0.718 | 74% | 0.74 | S | S | * | * | | | trans | -115.8 | 87.6 | 172.4 | -54.5 | 175.1 | 0 | 0 | 0 | 107.8 | V21 | V21-I23 PolarHBondContact O-N 3.44Å; V21-I23 VanDerWaalsContact O-N 3.14Å |
| 24 | N | 37.5 | Very low | 44.2 | Very low | 126 Ų | 126 | 132.3 Ų | 132.3 | 67% | 0.674 | 74% | 0.738 | S | S | * | * | | | trans | -63 | 138.8 | 160.8 | -71.3 | -27.6 | 0 | 0 | 0 | 109 | | |
| 25 | N | 41.8 | Very low | 44.3 | Very low | 161 Ų | 161 | 134 Ų | 134 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 65.3 | 72.3 | 164.9 | -57.1 | -9.7 | 0 | 0 | 0 | 116.9 | | |
| 26 | S | 43.4 | Very low | 45.3 | Very low | 87 Ų | 87 | 131.7 Ų | 131.7 | 61% | 0.608 | 72% | 0.724 | S | S | * | * | | | trans | -156.6 | 103.7 | 144 | -171.3 | 0 | 0 | 0 | 0 | 109.7 | V28 | S26-V28 PolarHBondContact O-N 3.41Š|
| 27 | M | 45.6 | Very low | 46.2 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 78% | 0.778 | 73% | 0.729 | S | S | * | * | | | trans | -69.9 | 84.1 | 163.8 | -171.4 | 176.5 | -163.6 | 0 | 0 | 106.8 | F29 | M27-F29 VanDerWaalsContact C-N 3.31Å; M27-F29 HydrophobicContact CE-CD2 4.34Å; M27-F29 HydrophobicContact CE-CE2 3.57Å; M27-F29 HydrophobicContact CE-CZ 3.77Å; M27-F29 HydrophobicContact CG-CD2 3.96Å; M27-F29 HydrophobicContact CG-CE2 3.98Å; M27-F29 PolarHBondContact O-N 3.47Å; M27-F29 HydrophobicContact SD-CD2 4.1Å; M27-F29 HydrophobicContact SD-CE2 3.5Å; M27-F29 WeakPolarHBondContact SD-CE2 3.45Å; M27-F29 HydrophobicContact SD-CZ 4.28Å |
| 28 | V | 48.6 | Very low | 46.7 | Very low | 107 Ų | 107 | 131.7 Ų | 131.7 | 65% | 0.648 | 71% | 0.711 | S | S | * | * | | | trans | -69.1 | 97.6 | 167.9 | 179.9 | 0 | 0 | 0 | 0 | 106 | S26 I30 | S26-V28 PolarHBondContact O-N 3.41Å; V28-I30 HydrophobicContact CG1-CG1 4.07Å; V28-I30 PolarHBondContact O-N 3.32Å |
| 29 | F | 46.5 | Very low | 48.2 | Very low | 154 Ų | 154 | 131.8 Ų | 131.8 | 68% | 0.675 | 71% | 0.707 | S | S | * | * | | | trans | -62.3 | 93.5 | 164 | -97.2 | -91.7 | 0 | 0 | 0 | 107.3 | M27 I31 | M27-F29 VanDerWaalsContact C-N 3.31Å; M27-F29 HydrophobicContact CE-CD2 4.34Å; M27-F29 HydrophobicContact CE-CE2 3.57Å; M27-F29 HydrophobicContact CE-CZ 3.77Å; M27-F29 HydrophobicContact CG-CD2 3.96Å; M27-F29 HydrophobicContact CG-CE2 3.98Å; M27-F29 PolarHBondContact O-N 3.47Å; M27-F29 HydrophobicContact SD-CD2 4.1Å; M27-F29 HydrophobicContact SD-CE2 3.5Å; M27-F29 WeakPolarHBondContact SD-CE2 3.45Å; M27-F29 HydrophobicContact SD-CZ 4.28Å; F29-I31 HydrophobicContact CB-CG1 4.42Å; F29-I31 PolarHBondContact O-N 3.33Å |
| 30 | I | 50.7 | Low | 49.6 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | | | trans | -69.9 | 89.6 | 162.8 | -58.1 | 177.5 | 0 | 0 | 0 | 105.1 | V28 G32 | V28-I30 HydrophobicContact CG1-CG1 4.07Å; V28-I30 PolarHBondContact O-N 3.32Å; I30-G32 PolarHBondContact O-N 2.98Å |
| 31 | I | 57 | Low | 51.6 | Low | 152 Ų | 152 | 127.4 Ų | 127.4 | 78% | 0.779 | 69% | 0.692 | S | S | * | * | | | trans | -69.2 | 80.7 | 164.2 | -54.9 | 170.6 | 0 | 0 | 0 | 104.9 | F29 | F29-I31 HydrophobicContact CB-CG1 4.42Å; F29-I31 PolarHBondContact O-N 3.33Å |
| 32 | G | 52.2 | Low | 53.1 | Low | 37 Ų | 37 | 126.5 Ų | 126.5 | 38% | 0.381 | 68% | 0.683 | S | S | . | * | | | trans | -56.8 | 147.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | I30 E34 | I30-G32 PolarHBondContact O-N 2.98Å; G32-E34 PolarHBondContact O-N 3.24Å |
| 33 | P | 50.7 | Low | 55.2 | Low | 121 Ų | 121 | 124.6 Ų | 124.6 | 79% | 0.786 | 67% | 0.672 | S | S | * | * | | | trans | -62.5 | 96.5 | 167.6 | 27.7 | -31 | 0 | 0 | 0 | 105.8 | K35 | P33-K35 VanDerWaalsContact C-N 3.26Å; P33-K35 PolarHBondContact O-N 3.29Å |
| 34 | E | 46.1 | Very low | 56.7 | Low | 168 Ų | 168 | 120.7 Ų | 120.7 | 79% | 0.785 | 66% | 0.66 | S | S | * | * | | | trans | -55.7 | 104.8 | 164.2 | -172.7 | -178.2 | 175 | 0 | 0 | 103.9 | G32 V36 | G32-E34 PolarHBondContact O-N 3.24Å; E34-V36 PolarHBondContact O-N 3.18Å |
| 35 | K | 45.7 | Very low | 58.9 | Low | 184 Ų | 184 | 119.5 Ų | 119.5 | 80% | 0.8 | 65% | 0.653 | S | S | * | * | | | trans | -62.7 | 90.2 | 167.2 | -67.7 | -178.3 | 179.9 | -178.1 | 0 | 103.9 | P33 E37 | P33-K35 VanDerWaalsContact C-N 3.26Å; P33-K35 PolarHBondContact O-N 3.29Å; K35-E37 PolarHBondContact O-N 3.49Å |
| 36 | V | 56.6 | Low | 61 | Low | 96 Ų | 96 | 116 Ų | 116 | 58% | 0.582 | 64% | 0.637 | S | S | * | * | | | trans | -58.8 | 99.8 | 163.2 | -178.6 | 0 | 0 | 0 | 0 | 103.2 | E34 L38 | E34-V36 PolarHBondContact O-N 3.18Å; V36-L38 HydrophobicContact CB-CD1 4.1Å; V36-L38 HydrophobicContact CG1-CD1 3.86Å; V36-L38 HydrophobicContact CG1-CG 4.07Å; V36-L38 PolarHBondContact O-N 3.17Å |
| 37 | E | 54.5 | Low | 63 | Low | 182 Ų | 182 | 115.5 Ų | 115.5 | 85% | 0.85 | 63% | 0.634 | S | S | * | * | | | trans | -65.6 | 78.9 | 167.8 | -71.9 | -169.4 | 158.3 | 0 | 0 | 105.6 | K35 Q39 | K35-E37 PolarHBondContact O-N 3.49Å; E37-Q39 VanDerWaalsContact C-N 3.3Å; E37-Q39 PolarHBondContact O-N 3.05Å |
| 38 | L | 56.2 | Low | 65 | Low | 94 Ų | 94 | 112.4 Ų | 112.4 | 49% | 0.492 | 62% | 0.62 | S | S | . | * | | | trans | -57.5 | 105.2 | 165.6 | -82.5 | 108.7 | 0 | 0 | 0 | 104.8 | V36 P40 I43 | V36-L38 HydrophobicContact CB-CD1 4.1Å; V36-L38 HydrophobicContact CG1-CD1 3.86Å; V36-L38 HydrophobicContact CG1-CG 4.07Å; V36-L38 PolarHBondContact O-N 3.17Å; L38-P40 VanDerWaalsContact O-N 3.09Å; L38-I43 HydrophobicContact CD2-CD1 4.11Å |
| 39 | Q | 68.6 | Low | 66.8 | Low | 148 Ų | 148 | 111.5 Ų | 111.5 | 69% | 0.692 | 61% | 0.61 | S | S | * | * | | | trans | -45.6 | 124.7 | 172.5 | -94.3 | 178.1 | -9.6 | 0 | 0 | 106.9 | E37 G41 L42 I43 | E37-Q39 VanDerWaalsContact C-N 3.3Å; E37-Q39 PolarHBondContact O-N 3.05Å; Q39-G41 PolarHBondContact O-N 3.41Å; Q39-L42 HydrophobicContact CB-CB 4.39Å; Q39-L42 PolarHBondContact O-N 3.3Å; Q39-I43 PolarHBondContact O-N 2.9Å |
| 40 | P | 71.8 | Confident | 68.7 | Low | 108 Ų | 108 | 106.9 Ų | 106.9 | 70% | 0.701 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -55.6 | -24.3 | -177.9 | 16.8 | -28.7 | 0 | 0 | 0 | 111.7 | L38 I43 A44 | L38-P40 VanDerWaalsContact O-N 3.09Å; P40-I43 WeakPolarHBondContact O-CG2 3.26Å; P40-A44 VanDerWaalsContact O-CB 3.22Å; P40-A44 WeakPolarHBondContact O-CB 3.38Å; P40-A44 PolarHBondContact O-N 3.39Å; P40-A44 VanDerWaalsContact O-N 3.13Å |
| 41 | G | 76.7 | Confident | 70.5 | Confident | 50 Ų | 50 | 104.1 Ų | 104.1 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.8 | -39.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q39 L45 | Q39-G41 PolarHBondContact O-N 3.41Å; G41-L45 VanDerWaalsContact O-CB 3.31Å; G41-L45 WeakPolarHBondContact O-CB 3.31Å; G41-L45 PolarHBondContact O-N 3.08Å |
| 42 | L | 79.4 | Confident | 71.7 | Confident | 98 Ų | 98 | 100.1 Ų | 100.1 | 51% | 0.513 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -69.8 | -44.6 | -180 | -171.2 | 74.3 | 0 | 0 | 0 | 110.9 | Q39 A44 L45 V46 | Q39-L42 HydrophobicContact CB-CB 4.39Å; Q39-L42 PolarHBondContact O-N 3.3Å; L42-A44 VanDerWaalsContact C-N 3.31Å; L42-A44 PolarHBondContact O-N 3.16Å; L42-L45 PolarHBondContact O-N 2.88Å; L42-V46 HydrophobicContact CG-CG2 4.48Å; L42-V46 VanDerWaalsContact O-CG2 3.31Å; L42-V46 WeakPolarHBondContact O-CG2 3.01Å; L42-V46 PolarHBondContact O-N 3Å |
| 43 | I | 80.5 | Confident | 73.3 | Confident | 96 Ų | 96 | 103.8 Ų | 103.8 | 49% | 0.492 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -66.4 | -36.4 | 177.8 | -164.1 | 139.1 | 0 | 0 | 0 | 111.5 | L38 Q39 P40 S47 | L38-I43 HydrophobicContact CD2-CD1 4.11Å; Q39-I43 PolarHBondContact O-N 2.9Å; P40-I43 WeakPolarHBondContact O-CG2 3.26Å; I43-S47 WeakPolarHBondContact O-CB 3.17Å; I43-S47 PolarHBondContact O-N 3.25Å |
| 44 | A | 81.1 | Confident | 74.9 | Confident | 58 Ų | 58 | 103.2 Ų | 103.2 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -63.8 | -42 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | P40 L42 S47 L48 | P40-A44 VanDerWaalsContact O-CB 3.22Å; P40-A44 WeakPolarHBondContact O-CB 3.38Å; P40-A44 PolarHBondContact O-N 3.39Å; P40-A44 VanDerWaalsContact O-N 3.13Å; L42-A44 VanDerWaalsContact C-N 3.31Å; L42-A44 PolarHBondContact O-N 3.16Å; A44-S47 PolarHBondContact O-N 3.06Å; A44-L48 VanDerWaalsContact O-CB 3.28Å; A44-L48 WeakPolarHBondContact O-CB 3.36Å; A44-L48 PolarHBondContact O-N 3.32Å |
| 45 | L | 83.3 | Confident | 76.6 | Confident | 100 Ų | 100 | 99.1 Ų | 99.1 | 52% | 0.524 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.5 | -44.4 | 179.2 | -166.7 | 155.1 | 0 | 0 | 0 | 111.8 | G41 L42 S47 L48 M49 | G41-L45 VanDerWaalsContact O-CB 3.31Å; G41-L45 WeakPolarHBondContact O-CB 3.31Å; G41-L45 PolarHBondContact O-N 3.08Å; L42-L45 PolarHBondContact O-N 2.88Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 3.43Å; L45-L48 PolarHBondContact O-N 3.14Å; L45-M49 HydrophobicContact CD2-CG 3.99Å; L45-M49 WeakPolarHBondContact O-CG 3.42Å; L45-M49 PolarHBondContact O-N 3.27Å |
| 46 | V | 86.4 | Confident | 78 | Confident | 88 Ų | 88 | 95 Ų | 95 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 175.3 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | L42 M49 A50 | L42-V46 HydrophobicContact CG-CG2 4.48Å; L42-V46 VanDerWaalsContact O-CG2 3.31Å; L42-V46 WeakPolarHBondContact O-CG2 3.01Å; L42-V46 PolarHBondContact O-N 3Å; V46-M49 PolarHBondContact O-N 3.48Å; V46-A50 WeakPolarHBondContact O-CB 3.49Å; V46-A50 PolarHBondContact O-N 3.22Å |
| 47 | S | 85.9 | Confident | 79.1 | Confident | 77 Ų | 77 | 94 Ų | 94 | 54% | 0.538 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62 | -43.5 | 174.8 | 178.7 | 0 | 0 | 0 | 0 | 112.1 | I43 A44 L45 A50 L51 | I43-S47 WeakPolarHBondContact O-CB 3.17Å; I43-S47 PolarHBondContact O-N 3.25Å; A44-S47 PolarHBondContact O-N 3.06Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-S47 PolarHBondContact O-N 3.43Å; S47-A50 PolarHBondContact O-N 3.01Å; S47-L51 WeakPolarHBondContact O-CB 3.27Å; S47-L51 PolarHBondContact O-N 3.39Å |
| 48 | L | 87.7 | Confident | 80.1 | Confident | 92 Ų | 92 | 87.4 Ų | 87.4 | 48% | 0.482 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 177 | -177.8 | 69.9 | 0 | 0 | 0 | 111.6 | A44 L45 L51 I52 | A44-L48 VanDerWaalsContact O-CB 3.28Å; A44-L48 WeakPolarHBondContact O-CB 3.36Å; A44-L48 PolarHBondContact O-N 3.32Å; L45-L48 PolarHBondContact O-N 3.14Å; L48-L51 WeakPolarHBondContact O-CB 3.4Å; L48-L51 PolarHBondContact O-N 3.28Å; L48-I52 HydrophobicContact CD1-CD1 4.5Å; L48-I52 HydrophobicContact CG-CD1 4.09Å; L48-I52 VanDerWaalsContact O-CG1 3.3Å; L48-I52 WeakPolarHBondContact O-CG1 3.39Å; L48-I52 PolarHBondContact O-N 3.27Å |
| 49 | M | 86 | Confident | 80.9 | Confident | 89 Ų | 89 | 84.4 Ų | 84.4 | 44% | 0.438 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 177 | -71 | -59.6 | 113.6 | 0 | 0 | 111.7 | L45 V46 L51 I52 L53 | L45-M49 HydrophobicContact CD2-CG 3.99Å; L45-M49 WeakPolarHBondContact O-CG 3.42Å; L45-M49 PolarHBondContact O-N 3.27Å; V46-M49 PolarHBondContact O-N 3.48Å; M49-L51 VanDerWaalsContact C-N 3.31Å; M49-L51 PolarHBondContact O-N 3.31Å; M49-I52 HydrophobicContact CE-CD1 3.64Å; M49-I52 PolarHBondContact O-N 3.48Å; M49-I52 HydrophobicContact SD-CD1 4.46Å; M49-L53 WeakPolarHBondContact O-CB 3.46Å; M49-L53 WeakPolarHBondContact O-CG 3.34Å; M49-L53 PolarHBondContact O-N 3.37Å |
| 50 | A | 86.1 | Confident | 80.9 | Confident | 56 Ų | 56 | 83.5 Ų | 83.5 | 46% | 0.463 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.3 | -40.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | V46 S47 L53 L54 | V46-A50 WeakPolarHBondContact O-CB 3.49Å; V46-A50 PolarHBondContact O-N 3.22Å; S47-A50 PolarHBondContact O-N 3.01Å; A50-L53 PolarHBondContact O-N 3.49Å; A50-L54 VanDerWaalsContact O-CB 3.31Å; A50-L54 WeakPolarHBondContact O-CB 3.43Å; A50-L54 PolarHBondContact O-N 3.24Å |
| 51 | L | 87.3 | Confident | 80.7 | Confident | 93 Ų | 93 | 85.3 Ų | 85.3 | 49% | 0.487 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 175.6 | -177.2 | 68.1 | 0 | 0 | 0 | 111.8 | S47 L48 M49 L53 L54 I55 | S47-L51 WeakPolarHBondContact O-CB 3.27Å; S47-L51 PolarHBondContact O-N 3.39Å; L48-L51 WeakPolarHBondContact O-CB 3.4Å; L48-L51 PolarHBondContact O-N 3.28Å; M49-L51 VanDerWaalsContact C-N 3.31Å; M49-L51 PolarHBondContact O-N 3.31Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 3.47Å; L51-L54 PolarHBondContact O-N 3.25Å; L51-I55 HydrophobicContact CD1-CD1 4.42Å; L51-I55 HydrophobicContact CG-CD1 4.03Å; L51-I55 VanDerWaalsContact O-CG1 3.27Å; L51-I55 WeakPolarHBondContact O-CG1 3.3Å; L51-I55 PolarHBondContact O-N 2.78Å |
| 52 | I | 84.2 | Confident | 80.1 | Confident | 67 Ų | 67 | 86 Ų | 86 | 34% | 0.344 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 177.2 | -69.1 | 164.7 | 0 | 0 | 0 | 110.3 | L48 M49 L54 I55 M56 | L48-I52 HydrophobicContact CD1-CD1 4.5Å; L48-I52 HydrophobicContact CG-CD1 4.09Å; L48-I52 VanDerWaalsContact O-CG1 3.3Å; L48-I52 WeakPolarHBondContact O-CG1 3.39Å; L48-I52 PolarHBondContact O-N 3.27Å; M49-I52 HydrophobicContact CE-CD1 3.64Å; M49-I52 PolarHBondContact O-N 3.48Å; M49-I52 HydrophobicContact SD-CD1 4.46Å; I52-L54 VanDerWaalsContact C-N 3.33Å; I52-L54 PolarHBondContact O-N 3.28Å; I52-I55 PolarHBondContact O-N 2.86Å; I52-M56 HydrophobicContact CG2-CG 4.42Å; I52-M56 VanDerWaalsContact O-CG 3.28Å; I52-M56 WeakPolarHBondContact O-CG 3.32Å; I52-M56 PolarHBondContact O-N 2.76Å |
| 53 | L | 84.5 | Confident | 79.5 | Confident | 114 Ų | 114 | 85 Ų | 85 | 60% | 0.597 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -63.7 | -39.3 | 177 | -71.5 | 174.3 | 0 | 0 | 0 | 111.9 | M49 A50 L51 I55 M56 T57 | M49-L53 WeakPolarHBondContact O-CB 3.46Å; M49-L53 WeakPolarHBondContact O-CG 3.34Å; M49-L53 PolarHBondContact O-N 3.37Å; A50-L53 PolarHBondContact O-N 3.49Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 3.47Å; L53-I55 VanDerWaalsContact C-N 3.35Å; L53-M56 PolarHBondContact O-N 3.35Å; L53-T57 WeakPolarHBondContact O-CG2 3.14Å; L53-T57 PolarHBondContact O-N 3.42Å; L53-T57 PolarHBondContact O-OG1 2.81Å; L53-T57 VanDerWaalsContact O-OG1 3.04Å |
| 54 | L | 84.5 | Confident | 78.6 | Confident | 110 Ų | 110 | 87.2 Ų | 87.2 | 58% | 0.576 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64 | -40.2 | 175.1 | -171.9 | 151 | 0 | 0 | 0 | 111.6 | A50 L51 I52 T57 A58 | A50-L54 VanDerWaalsContact O-CB 3.31Å; A50-L54 WeakPolarHBondContact O-CB 3.43Å; A50-L54 PolarHBondContact O-N 3.24Å; L51-L54 PolarHBondContact O-N 3.25Å; I52-L54 VanDerWaalsContact C-N 3.33Å; I52-L54 PolarHBondContact O-N 3.28Å; L54-T57 WeakPolarHBondContact CA-OG1 3.2Å; L54-T57 PolarHBondContact O-OG1 3.27Å; L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 3.33Å |
| 55 | I | 81.5 | Confident | 77.7 | Confident | 81 Ų | 81 | 88.2 Ų | 88.2 | 42% | 0.415 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 174.6 | -69 | 164.7 | 0 | 0 | 0 | 110.1 | L51 I52 L53 A58 I59 | L51-I55 HydrophobicContact CD1-CD1 4.42Å; L51-I55 HydrophobicContact CG-CD1 4.03Å; L51-I55 VanDerWaalsContact O-CG1 3.27Å; L51-I55 WeakPolarHBondContact O-CG1 3.3Å; L51-I55 PolarHBondContact O-N 2.78Å; I52-I55 PolarHBondContact O-N 2.86Å; L53-I55 VanDerWaalsContact C-N 3.35Å; I55-A58 PolarHBondContact O-N 3.45Å; I55-I59 HydrophobicContact CG2-CD1 3.65Å; I55-I59 HydrophobicContact CG2-CG1 4.32Å; I55-I59 WeakPolarHBondContact O-CB 3.15Å; I55-I59 WeakPolarHBondContact O-CG1 3.13Å; I55-I59 PolarHBondContact O-N 2.95Å |
| 56 | M | 76.5 | Confident | 76.7 | Confident | 98 Ų | 98 | 87 Ų | 87 | 48% | 0.483 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 178.4 | -70.8 | -64.5 | 176 | 0 | 0 | 112 | I52 L53 I59 L60 | I52-M56 HydrophobicContact CG2-CG 4.42Å; I52-M56 VanDerWaalsContact O-CG 3.28Å; I52-M56 WeakPolarHBondContact O-CG 3.32Å; I52-M56 PolarHBondContact O-N 2.76Å; L53-M56 PolarHBondContact O-N 3.35Å; M56-I59 PolarHBondContact O-N 3.48Å; M56-L60 WeakPolarHBondContact O-CB 3.34Å; M56-L60 VanDerWaalsContact O-CG 3.26Å; M56-L60 WeakPolarHBondContact O-CG 3.46Å; M56-L60 PolarHBondContact O-N 2.87Å |
| 57 | T | 77.8 | Confident | 75.6 | Confident | 76 Ų | 76 | 84.5 Ų | 84.5 | 47% | 0.466 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 175.2 | 51.6 | 0 | 0 | 0 | 0 | 111.4 | L53 L54 I59 L60 L61 | L53-T57 WeakPolarHBondContact O-CG2 3.14Å; L53-T57 PolarHBondContact O-N 3.42Å; L53-T57 PolarHBondContact O-OG1 2.81Å; L53-T57 VanDerWaalsContact O-OG1 3.04Å; L54-T57 WeakPolarHBondContact CA-OG1 3.2Å; L54-T57 PolarHBondContact O-OG1 3.27Å; T57-I59 PolarHBondContact O-N 3Å; T57-L60 PolarHBondContact O-N 3.06Å; T57-L60 VanDerWaalsContact O-N 3.16Å; T57-L61 WeakPolarHBondContact O-CD1 3.31Å; T57-L61 PolarHBondContact O-N 2.96Å |
| 58 | A | 77.2 | Confident | 74.3 | Confident | 43 Ų | 43 | 83.3 Ų | 83.3 | 36% | 0.355 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -57.8 | -48.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L54 I55 L60 L61 L62 | L54-A58 WeakPolarHBondContact O-CB 3.45Å; L54-A58 PolarHBondContact O-N 3.33Å; I55-A58 PolarHBondContact O-N 3.45Å; A58-L60 VanDerWaalsContact C-N 3.29Å; A58-L60 PolarHBondContact O-N 2.91Å; A58-L61 PolarHBondContact O-N 3.29Å; A58-L61 VanDerWaalsContact O-N 3.08Å; A58-L62 WeakPolarHBondContact O-CD1 3.02Å; A58-L62 PolarHBondContact O-N 3.21Å |
| 59 | I | 71.8 | Confident | 73.1 | Confident | 30 Ų | 30 | 83.7 Ų | 83.7 | 15% | 0.154 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -57.3 | -44.2 | 176.1 | -67.6 | 164.7 | 0 | 0 | 0 | 110.3 | I55 M56 T57 L61 L62 Q67 V70 F71 | I55-I59 HydrophobicContact CG2-CD1 3.65Å; I55-I59 HydrophobicContact CG2-CG1 4.32Å; I55-I59 WeakPolarHBondContact O-CB 3.15Å; I55-I59 WeakPolarHBondContact O-CG1 3.13Å; I55-I59 PolarHBondContact O-N 2.95Å; M56-I59 PolarHBondContact O-N 3.48Å; T57-I59 PolarHBondContact O-N 3Å; I59-L61 VanDerWaalsContact C-N 3.27Å; I59-L61 PolarHBondContact O-N 3.08Å; I59-L62 WeakPolarHBondContact O-CB 3.12Å; I59-L62 PolarHBondContact O-N 3.49Å; I59-Q67 HydrophobicContact CG2-CG 4.07Å; I59-Q67 WeakPolarHBondContact O-CG 3.3Å; I59-Q67 PolarHBondContact O-NE2 2.87Å; I59-V70 HydrophobicContact CD1-CG1 4.37Å; I59-F71 HydrophobicContact CG2-CE2 3.94Å; I59-F71 HydrophobicContact CG2-CZ 4.32Å |
| 60 | L | 68 | Low | 72 | Confident | 129 Ų | 129 | 81.7 Ų | 81.7 | 68% | 0.675 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.6 | -27.6 | 178.2 | -73.1 | 170.6 | 0 | 0 | 0 | 114 | M56 T57 A58 Q67 | M56-L60 WeakPolarHBondContact O-CB 3.34Å; M56-L60 VanDerWaalsContact O-CG 3.26Å; M56-L60 WeakPolarHBondContact O-CG 3.46Å; M56-L60 PolarHBondContact O-N 2.87Å; T57-L60 PolarHBondContact O-N 3.06Å; T57-L60 VanDerWaalsContact O-N 3.16Å; A58-L60 VanDerWaalsContact C-N 3.29Å; A58-L60 PolarHBondContact O-N 2.91Å; L60-Q67 VanDerWaalsContact CA-NE2 3.32Å; L60-Q67 PolarHBondContact O-NE2 3.15Å; L60-Q67 VanDerWaalsContact O-NE2 3.13Å |
| 61 | L | 69.4 | Low | 70.7 | Confident | 147 Ų | 147 | 83.4 Ų | 83.4 | 77% | 0.77 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -80.9 | -17.1 | 173.4 | -86.4 | 93.5 | 0 | 0 | 0 | 113.5 | T57 A58 I59 | T57-L61 WeakPolarHBondContact O-CD1 3.31Å; T57-L61 PolarHBondContact O-N 2.96Å; A58-L61 PolarHBondContact O-N 3.29Å; A58-L61 VanDerWaalsContact O-N 3.08Å; I59-L61 VanDerWaalsContact C-N 3.27Å; I59-L61 PolarHBondContact O-N 3.08Å |
| 62 | L | 63.1 | Low | 69.4 | Low | 63 Ų | 63 | 82.2 Ų | 82.2 | 33% | 0.33 | 44% | 0.439 | S | S | . | . | S | Bend | trans | -69.1 | 141.6 | 176.1 | -90.2 | 72.8 | 0 | 0 | 0 | 110.2 | A58 I59 I66 Q67 | A58-L62 WeakPolarHBondContact O-CD1 3.02Å; A58-L62 PolarHBondContact O-N 3.21Å; I59-L62 WeakPolarHBondContact O-CB 3.12Å; I59-L62 PolarHBondContact O-N 3.49Å; L62-I66 HydrophobicContact CB-CB 4.46Å; L62-I66 HydrophobicContact CD2-CB 3.9Å; L62-I66 HydrophobicContact CD2-CD1 4.47Å; L62-I66 HydrophobicContact CD2-CG2 3.53Å; L62-Q67 HydrophobicContact CB-CG 4.18Å; L62-Q67 PolarHBondContact O-NE2 3.45Å |
| 63 | P | 65.8 | Low | 68.6 | Low | 78 Ų | 78 | 85.6 Ų | 85.6 | 51% | 0.506 | 46% | 0.457 | S | S | . | . | | | trans | -57.2 | 143.2 | 173.2 | 23.5 | -32.1 | 0 | 0 | 0 | 110.1 | S65 I66 Q67 | P63-S65 PolarHBondContact O-N 3.39Å; P63-I66 HydrophobicContact CG-CD1 3.81Å; P63-I66 HydrophobicContact CG-CG1 4.19Å; P63-I66 PolarHBondContact O-N 3.02Å; P63-Q67 PolarHBondContact O-N 3.43Å |
| 64 | K | 63.3 | Low | 67.5 | Low | 142 Ų | 142 | 85.5 Ų | 85.5 | 62% | 0.617 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -45.9 | -33.2 | -174.2 | -168.4 | 173.4 | 179.5 | 176.2 | 0 | 114 | I66 Q67 D68 | K64-I66 VanDerWaalsContact C-N 3.33Å; K64-I66 PolarHBondContact O-N 2.91Å; K64-Q67 PolarHBondContact O-N 2.77Å; K64-D68 PolarHBondContact O-N 3.42Å; K64-D68 VanDerWaalsContact O-N 3.1Å |
| 65 | S | 60.6 | Low | 66.5 | Low | 80 Ų | 80 | 84.3 Ų | 84.3 | 56% | 0.559 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -62 | -32.7 | 176.9 | 54.7 | 0 | 0 | 0 | 0 | 114.8 | P63 | P63-S65 PolarHBondContact O-N 3.39Å |
| 66 | I | 62.5 | Low | 65.3 | Low | 74 Ų | 74 | 87.9 Ų | 87.9 | 38% | 0.379 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -92.7 | -31.6 | -179.9 | -48.8 | 170.7 | 0 | 0 | 0 | 110.5 | L62 P63 K64 D68 N69 V70 | L62-I66 HydrophobicContact CB-CB 4.46Å; L62-I66 HydrophobicContact CD2-CB 3.9Å; L62-I66 HydrophobicContact CD2-CD1 4.47Å; L62-I66 HydrophobicContact CD2-CG2 3.53Å; P63-I66 HydrophobicContact CG-CD1 3.81Å; P63-I66 HydrophobicContact CG-CG1 4.19Å; P63-I66 PolarHBondContact O-N 3.02Å; K64-I66 VanDerWaalsContact C-N 3.33Å; K64-I66 PolarHBondContact O-N 2.91Å; I66-D68 VanDerWaalsContact C-N 3.32Å; I66-D68 PolarHBondContact O-N 2.82Å; I66-N69 PolarHBondContact O-N 3.4Å; I66-V70 HydrophobicContact CG2-CG2 4.36Å; I66-V70 WeakPolarHBondContact O-CG2 3.13Å; I66-V70 PolarHBondContact O-N 3.45Å |
| 67 | Q | 63.6 | Low | 64.1 | Low | 36 Ų | 36 | 87.4 Ų | 87.4 | 17% | 0.168 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -55.4 | -49.3 | 170.4 | -71.2 | -179.5 | -0.4 | 0 | 0 | 110.6 | I59 L60 L62 P63 K64 N69 V70 F71 | I59-Q67 HydrophobicContact CG2-CG 4.07Å; I59-Q67 WeakPolarHBondContact O-CG 3.3Å; I59-Q67 PolarHBondContact O-NE2 2.87Å; L60-Q67 VanDerWaalsContact CA-NE2 3.32Å; L60-Q67 PolarHBondContact O-NE2 3.15Å; L60-Q67 VanDerWaalsContact O-NE2 3.13Å; L62-Q67 HydrophobicContact CB-CG 4.18Å; L62-Q67 PolarHBondContact O-NE2 3.45Å; P63-Q67 PolarHBondContact O-N 3.43Å; K64-Q67 PolarHBondContact O-N 2.77Å; Q67-N69 VanDerWaalsContact C-N 3.26Å; Q67-N69 PolarHBondContact O-N 3.28Å; Q67-V70 PolarHBondContact O-N 2.98Å; Q67-V70 VanDerWaalsContact O-N 3.16Å; Q67-F71 HydrophobicContact CB-CD2 4.22Å; Q67-F71 HydrophobicContact CB-CE2 4.38Å; Q67-F71 WeakPolarHBondContact O-CB 3.24Å; Q67-F71 WeakPolarHBondContact O-CD2 3.19Å; Q67-F71 PolarHBondContact O-N 2.84Å |
| 68 | D | 59.6 | Low | 62.9 | Low | 52 Ų | 52 | 88.7 Ų | 88.7 | 28% | 0.278 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.3 | -34.1 | -179.3 | -72 | -23.2 | 0 | 0 | 0 | 112.3 | K64 I66 Q72 | K64-D68 PolarHBondContact O-N 3.42Å; K64-D68 VanDerWaalsContact O-N 3.1Å; I66-D68 VanDerWaalsContact C-N 3.32Å; I66-D68 PolarHBondContact O-N 2.82Å; D68-Q72 VanDerWaalsContact O-CB 3.3Å; D68-Q72 WeakPolarHBondContact O-CB 3.44Å; D68-Q72 WeakPolarHBondContact O-CG 3.23Å; D68-Q72 PolarHBondContact O-N 3.27Å |
| 69 | N | 62.1 | Low | 61.7 | Low | 99 Ų | 99 | 90.2 Ų | 90.2 | 53% | 0.529 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.4 | -40.4 | 175.2 | -76.6 | -19.5 | 0 | 0 | 0 | 112.9 | I66 Q67 Q72 L73 | I66-N69 PolarHBondContact O-N 3.4Å; Q67-N69 VanDerWaalsContact C-N 3.26Å; Q67-N69 PolarHBondContact O-N 3.28Å; N69-Q72 PolarHBondContact O-N 2.88Å; N69-L73 WeakPolarHBondContact O-CB 3.31Å; N69-L73 PolarHBondContact O-N 2.87Å |
| 70 | V | 61.7 | Low | 60.8 | Low | 47 Ų | 47 | 96.3 Ų | 96.3 | 29% | 0.285 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.1 | -40.5 | 175.9 | 174.9 | 0 | 0 | 0 | 0 | 110.3 | I59 I66 Q67 L73 V74 | I59-V70 HydrophobicContact CD1-CG1 4.37Å; I66-V70 HydrophobicContact CG2-CG2 4.36Å; I66-V70 WeakPolarHBondContact O-CG2 3.13Å; I66-V70 PolarHBondContact O-N 3.45Å; Q67-V70 PolarHBondContact O-N 2.98Å; Q67-V70 VanDerWaalsContact O-N 3.16Å; V70-L73 PolarHBondContact O-N 3.31Å; V70-V74 HydrophobicContact CG1-CG2 4.24Å; V70-V74 WeakPolarHBondContact O-CB 3.44Å; V70-V74 VanDerWaalsContact O-CG2 3.25Å; V70-V74 WeakPolarHBondContact O-CG2 3.21Å; V70-V74 PolarHBondContact O-N 2.83Å |
| 71 | F | 60.6 | Low | 60 | Low | 93 Ų | 93 | 96.7 Ų | 96.7 | 41% | 0.408 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.4 | -41.1 | 174.3 | -82.7 | -67.2 | 0 | 0 | 0 | 111.7 | I59 Q67 L73 V74 L75 | I59-F71 HydrophobicContact CG2-CE2 3.94Å; I59-F71 HydrophobicContact CG2-CZ 4.32Å; Q67-F71 HydrophobicContact CB-CD2 4.22Å; Q67-F71 HydrophobicContact CB-CE2 4.38Å; Q67-F71 WeakPolarHBondContact O-CB 3.24Å; Q67-F71 WeakPolarHBondContact O-CD2 3.19Å; Q67-F71 PolarHBondContact O-N 2.84Å; F71-L73 VanDerWaalsContact C-N 3.33Å; F71-L73 PolarHBondContact O-N 3.49Å; F71-V74 PolarHBondContact O-N 2.87Å; F71-L75 HydrophobicContact CB-CD1 4.29Å; F71-L75 HydrophobicContact CD1-CD1 3.92Å; F71-L75 WeakPolarHBondContact O-CB 3.3Å; F71-L75 PolarHBondContact O-N 2.77Å |
| 72 | Q | 60 | Low | 59 | Low | 67 Ų | 67 | 91.5 Ų | 91.5 | 31% | 0.313 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 172.9 | -81.6 | 176.1 | 44.3 | 0 | 0 | 112.3 | D68 N69 N76 | D68-Q72 VanDerWaalsContact O-CB 3.3Å; D68-Q72 WeakPolarHBondContact O-CB 3.44Å; D68-Q72 WeakPolarHBondContact O-CG 3.23Å; D68-Q72 PolarHBondContact O-N 3.27Å; N69-Q72 PolarHBondContact O-N 2.88Å; Q72-N76 PolarHBondContact O-N 2.95Å |
| 73 | L | 65.7 | Low | 58.3 | Low | 139 Ų | 139 | 94.4 Ų | 94.4 | 73% | 0.728 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -68.2 | -43.7 | 178.8 | -170.5 | 71.8 | 0 | 0 | 0 | 112.3 | N69 V70 F71 | N69-L73 WeakPolarHBondContact O-CB 3.31Å; N69-L73 PolarHBondContact O-N 2.87Å; V70-L73 PolarHBondContact O-N 3.31Å; F71-L73 VanDerWaalsContact C-N 3.33Å; F71-L73 PolarHBondContact O-N 3.49Å |
| 74 | V | 63.2 | Low | 57.6 | Low | 112 Ų | 112 | 95.8 Ų | 95.8 | 68% | 0.679 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -73.7 | -34.1 | -177.9 | 171.8 | 0 | 0 | 0 | 0 | 111.7 | V70 F71 | V70-V74 HydrophobicContact CG1-CG2 4.24Å; V70-V74 WeakPolarHBondContact O-CB 3.44Å; V70-V74 VanDerWaalsContact O-CG2 3.25Å; V70-V74 WeakPolarHBondContact O-CG2 3.21Å; V70-V74 PolarHBondContact O-N 2.83Å; F71-V74 PolarHBondContact O-N 2.87Å |
| 75 | L | 62.3 | Low | 57 | Low | 84 Ų | 84 | 98 Ų | 98 | 44% | 0.44 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -92 | -4.1 | -175.9 | -72.6 | 155.5 | 0 | 0 | 0 | 113.9 | F71 Q77 | F71-L75 HydrophobicContact CB-CD1 4.29Å; F71-L75 HydrophobicContact CD1-CD1 3.92Å; F71-L75 WeakPolarHBondContact O-CB 3.3Å; F71-L75 PolarHBondContact O-N 2.77Å; L75-Q77 HydrophobicContact CB-CB 3.95Å; L75-Q77 HydrophobicContact CB-CG 3.81Å; L75-Q77 WeakPolarHBondContact O-CG 3.19Å; L75-Q77 PolarHBondContact O-N 3.46Å |
| 76 | N | 55.7 | Low | 56.6 | Low | 157 Ų | 157 | 99.5 Ų | 99.5 | 84% | 0.84 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.5 | 30.5 | -170.1 | -93.1 | -12.9 | 0 | 0 | 0 | 111.9 | Q72 | Q72-N76 PolarHBondContact O-N 2.95Š|
| 77 | Q | 52.1 | Low | 56.1 | Low | 88 Ų | 88 | 100.8 Ų | 100.8 | 41% | 0.411 | 52% | 0.518 | S | S | . | . | | | trans | -97.2 | 110.6 | -174 | -85.2 | 173.9 | -0 | 0 | 0 | 108.2 | L75 T82 | L75-Q77 HydrophobicContact CB-CB 3.95Å; L75-Q77 HydrophobicContact CB-CG 3.81Å; L75-Q77 WeakPolarHBondContact O-CG 3.19Å; L75-Q77 PolarHBondContact O-N 3.46Å; Q77-T82 HydrophobicContact CB-CG2 3.7Å; Q77-T82 HydrophobicContact CG-CG2 4.28Å |
| 78 | T | 51.9 | Low | 55.6 | Low | 102 Ų | 102 | 101.9 Ų | 101.9 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | | | trans | -50.1 | 132.6 | 168.5 | 30.4 | 0 | 0 | 0 | 0 | 110.2 | D80 Q81 | T78-D80 PolarHBondContact O-N 3.43Å; T78-Q81 PolarHBondContact O-N 3.16Å |
| 79 | P | 53.6 | Low | 55.3 | Low | 76 Ų | 76 | 100.9 Ų | 100.9 | 49% | 0.494 | 53% | 0.529 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -3.9 | -171.3 | 20.5 | -31.7 | 0 | 0 | 0 | 115.8 | | |
| 80 | D | 52.8 | Low | 55.1 | Low | 157 Ų | 157 | 101 Ų | 101 | 84% | 0.84 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 5.2 | -174.9 | -68.1 | -28.8 | 0 | 0 | 0 | 114.9 | T78 | T78-D80 PolarHBondContact O-N 3.43Š|
| 81 | Q | 50.3 | Low | 54.8 | Low | 138 Ų | 138 | 106.1 Ų | 106.1 | 65% | 0.645 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -129.6 | -1.8 | 175 | -73.3 | -167 | -13.1 | 0 | 0 | 115.1 | T78 F83 | T78-Q81 PolarHBondContact O-N 3.16Å; Q81-F83 PolarHBondContact O-N 2.89Å |
| 82 | T | 48.8 | Very low | 54.8 | Low | 38 Ų | 38 | 108.7 Ų | 108.7 | 23% | 0.233 | 56% | 0.555 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -85.1 | -4.1 | -168.5 | 18 | 0 | 0 | 0 | 0 | 116.1 | Q77 | Q77-T82 HydrophobicContact CB-CG2 3.7Å; Q77-T82 HydrophobicContact CG-CG2 4.28Å |
| 83 | F | 48.1 | Very low | 54.8 | Low | 124 Ų | 124 | 109 Ų | 109 | 54% | 0.544 | 56% | 0.561 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.8 | 18.9 | 177.2 | -83.9 | -79 | 0 | 0 | 0 | 115.3 | Q81 | Q81-F83 PolarHBondContact O-N 2.89Š|
| 84 | N | 51.4 | Low | 54.5 | Low | 107 Ų | 107 | 110.4 Ų | 110.4 | 57% | 0.572 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -116.5 | -15.8 | 178.1 | -145.8 | 1.4 | 0 | 0 | 0 | 115.1 | V88 | N84-V88 WeakPolarHBondContact O-CB 3.4Å; N84-V88 WeakPolarHBondContact O-CG2 3.14Å; N84-V88 PolarHBondContact O-N 3.27Å |
| 85 | Y | 49.5 | Very low | 54.3 | Low | 188 Ų | 188 | 110 Ų | 110 | 74% | 0.737 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -82 | -33.2 | 175.9 | -74.9 | -79.3 | 0 | 0 | 0 | 113.3 | G89 | Y85-G89 WeakPolarHBondContact O-CA 3.25Å; Y85-G89 PolarHBondContact O-N 2.94Å |
| 86 | I | 53.8 | Low | 54.2 | Low | 112 Ų | 112 | 108.4 Ų | 108.4 | 57% | 0.574 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -71.8 | -40.4 | 174.2 | -61.7 | 169.3 | 0 | 0 | 0 | 109.4 | G89 L90 | I86-G89 CarbonylContact O-C 3.58Å; I86-G89 PolarHBondContact O-N 3.33Å; I86-L90 HydrophobicContact CG2-CD1 3.88Å; I86-L90 HydrophobicContact CG2-CG 4.32Å; I86-L90 VanDerWaalsContact O-CB 3.31Å; I86-L90 WeakPolarHBondContact O-CB 3.38Å; I86-L90 VanDerWaalsContact O-CG 3.23Å; I86-L90 WeakPolarHBondContact O-CG 3.17Å; I86-L90 PolarHBondContact O-N 3.35Å |
| 87 | D | 51.8 | Low | 54.4 | Low | 101 Ų | 101 | 104.7 Ų | 104.7 | 54% | 0.54 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.1 | -39.1 | 175.7 | -93.8 | -9.4 | 0 | 0 | 0 | 113.1 | G89 L90 Y91 | D87-G89 VanDerWaalsContact C-N 3.3Å; D87-G89 PolarHBondContact O-N 3.48Å; D87-L90 PolarHBondContact O-N 3.35Å; D87-Y91 WeakPolarHBondContact O-CB 3.41Å; D87-Y91 PolarHBondContact O-N 3.11Å |
| 88 | V | 51.9 | Low | 54.8 | Low | 59 Ų | 59 | 106.5 Ų | 106.5 | 36% | 0.358 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.9 | -34.6 | 170.8 | 171.7 | 0 | 0 | 0 | 0 | 111 | N84 K92 | N84-V88 WeakPolarHBondContact O-CB 3.4Å; N84-V88 WeakPolarHBondContact O-CG2 3.14Å; N84-V88 PolarHBondContact O-N 3.27Å; V88-K92 HydrophobicContact CG1-CD 4.27Å; V88-K92 VanDerWaalsContact O-CB 3.31Å; V88-K92 WeakPolarHBondContact O-CB 3.39Å; V88-K92 VanDerWaalsContact O-CG 3.32Å; V88-K92 WeakPolarHBondContact O-CG 3.28Å; V88-K92 PolarHBondContact O-N 2.81Å |
| 89 | G | 54.8 | Low | 55.1 | Low | 30 Ų | 30 | 109.7 Ų | 109.7 | 31% | 0.309 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.6 | -45.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y85 I86 D87 T93 | Y85-G89 WeakPolarHBondContact O-CA 3.25Å; Y85-G89 PolarHBondContact O-N 2.94Å; I86-G89 CarbonylContact O-C 3.58Å; I86-G89 PolarHBondContact O-N 3.33Å; D87-G89 VanDerWaalsContact C-N 3.3Å; D87-G89 PolarHBondContact O-N 3.48Å; G89-T93 VanDerWaalsContact O-CB 3.24Å; G89-T93 WeakPolarHBondContact O-CB 3.26Å; G89-T93 PolarHBondContact O-N 3.4Å; G89-T93 PolarHBondContact O-OG1 3.04Å |
| 90 | L | 57.7 | Low | 55.5 | Low | 101 Ų | 101 | 113.4 Ų | 113.4 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70.1 | -37 | 175.5 | -72.6 | 171.4 | 0 | 0 | 0 | 111.4 | I86 D87 T93 R94 | I86-L90 HydrophobicContact CG2-CD1 3.88Å; I86-L90 HydrophobicContact CG2-CG 4.32Å; I86-L90 VanDerWaalsContact O-CB 3.31Å; I86-L90 WeakPolarHBondContact O-CB 3.38Å; I86-L90 VanDerWaalsContact O-CG 3.23Å; I86-L90 WeakPolarHBondContact O-CG 3.17Å; I86-L90 PolarHBondContact O-N 3.35Å; D87-L90 PolarHBondContact O-N 3.35Å; L90-T93 PolarHBondContact O-N 3.22Å; L90-R94 WeakPolarHBondContact O-CB 3.2Å; L90-R94 PolarHBondContact O-N 2.67Å |
| 91 | Y | 55.9 | Low | 55.8 | Low | 156 Ų | 156 | 110.7 Ų | 110.7 | 61% | 0.612 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.3 | -47.8 | 173.2 | -175.6 | -97.4 | 0 | 0 | 0 | 110.9 | D87 T93 H95 | D87-Y91 WeakPolarHBondContact O-CB 3.41Å; D87-Y91 PolarHBondContact O-N 3.11Å; Y91-T93 VanDerWaalsContact C-N 3.33Å; Y91-T93 PolarHBondContact O-N 3.46Å; Y91-H95 AromaticContact CE1-CD2 3.97Å; Y91-H95 AromaticContact CZ-CD2 3.91Å; Y91-H95 WeakPolarHBondContact O-CB 3.43Å; Y91-H95 PolarHBondContact O-N 2.73Å |
| 92 | K | 60.3 | Low | 56.2 | Low | 147 Ų | 147 | 109.3 Ų | 109.3 | 64% | 0.639 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.9 | -39.2 | 174.6 | -77.6 | -178.6 | 179.4 | -178.3 | 0 | 112 | V88 S96 | V88-K92 HydrophobicContact CG1-CD 4.27Å; V88-K92 VanDerWaalsContact O-CB 3.31Å; V88-K92 WeakPolarHBondContact O-CB 3.39Å; V88-K92 VanDerWaalsContact O-CG 3.32Å; V88-K92 WeakPolarHBondContact O-CG 3.28Å; V88-K92 PolarHBondContact O-N 2.81Å; K92-S96 VanDerWaalsContact O-CB 3.27Å; K92-S96 WeakPolarHBondContact O-CB 3.3Å; K92-S96 PolarHBondContact O-N 2.75Å |
| 93 | T | 59.6 | Low | 56.6 | Low | 72 Ų | 72 | 114.3 Ų | 114.3 | 44% | 0.442 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.5 | -49.8 | 179.1 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | G89 L90 Y91 H95 S96 I97 | G89-T93 VanDerWaalsContact O-CB 3.24Å; G89-T93 WeakPolarHBondContact O-CB 3.26Å; G89-T93 PolarHBondContact O-N 3.4Å; G89-T93 PolarHBondContact O-OG1 3.04Å; L90-T93 PolarHBondContact O-N 3.22Å; Y91-T93 VanDerWaalsContact C-N 3.33Å; Y91-T93 PolarHBondContact O-N 3.46Å; T93-H95 VanDerWaalsContact C-N 3.34Å; T93-H95 PolarHBondContact O-N 2.76Å; T93-S96 PolarHBondContact O-N 3.47Å; T93-S96 VanDerWaalsContact O-N 3.15Å; T93-S96 PolarHBondContact O-OG 2.98Å; T93-I97 HydrophobicContact CG2-CD1 3.96Å; T93-I97 VanDerWaalsContact O-CG1 3.3Å; T93-I97 WeakPolarHBondContact O-CG1 3.48Å; T93-I97 PolarHBondContact O-N 3.21Å |
| 94 | R | 58.3 | Low | 57.1 | Low | 169 Ų | 169 | 111.3 Ų | 111.3 | 64% | 0.638 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -59.4 | -43.7 | 175.2 | -178.9 | 179.1 | -96 | 171.8 | -4.6 | 111.1 | L90 S96 I97 Y98 | L90-R94 WeakPolarHBondContact O-CB 3.2Å; L90-R94 PolarHBondContact O-N 2.67Å; R94-S96 VanDerWaalsContact C-N 3.32Å; R94-S96 PolarHBondContact O-N 2.87Å; R94-I97 PolarHBondContact O-N 2.9Å; R94-Y98 HydrophobicContact CG-CD2 3.7Å; R94-Y98 HydrophobicContact CG-CE2 3.52Å; R94-Y98 WeakPolarHBondContact O-CD2 3.46Å; R94-Y98 PolarHBondContact O-N 3.32Å |
| 95 | H | 60.6 | Low | 57.4 | Low | 104 Ų | 104 | 112 Ų | 112 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.9 | -30.9 | 178.2 | -151.2 | -36.1 | 0 | 0 | 0 | 112.5 | Y91 T93 R99 | Y91-H95 AromaticContact CE1-CD2 3.97Å; Y91-H95 AromaticContact CZ-CD2 3.91Å; Y91-H95 WeakPolarHBondContact O-CB 3.43Å; Y91-H95 PolarHBondContact O-N 2.73Å; T93-H95 VanDerWaalsContact C-N 3.34Å; T93-H95 PolarHBondContact O-N 2.76Å; H95-R99 WeakPolarHBondContact O-CB 2.96Å; H95-R99 PolarHBondContact O-N 2.88Å |
| 96 | S | 59.8 | Low | 57.9 | Low | 51 Ų | 51 | 106.1 Ų | 106.1 | 36% | 0.357 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -70.7 | -38.5 | 172.1 | 83.4 | 0 | 0 | 0 | 0 | 112.3 | K92 T93 R94 R99 K100 | K92-S96 VanDerWaalsContact O-CB 3.27Å; K92-S96 WeakPolarHBondContact O-CB 3.3Å; K92-S96 PolarHBondContact O-N 2.75Å; T93-S96 PolarHBondContact O-N 3.47Å; T93-S96 VanDerWaalsContact O-N 3.15Å; T93-S96 PolarHBondContact O-OG 2.98Å; R94-S96 VanDerWaalsContact C-N 3.32Å; R94-S96 PolarHBondContact O-N 2.87Å; S96-R99 PolarHBondContact O-N 3.44Å; S96-K100 WeakPolarHBondContact O-CB 3.34Å; S96-K100 WeakPolarHBondContact O-CG 3.49Å; S96-K100 PolarHBondContact O-N 3.16Å |
| 97 | I | 58.8 | Low | 58.2 | Low | 78 Ų | 78 | 107 Ų | 107 | 40% | 0.4 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.1 | -49.2 | 175.9 | -69.1 | 166.2 | 0 | 0 | 0 | 109 | T93 R94 R99 K100 E101 | T93-I97 HydrophobicContact CG2-CD1 3.96Å; T93-I97 VanDerWaalsContact O-CG1 3.3Å; T93-I97 WeakPolarHBondContact O-CG1 3.48Å; T93-I97 PolarHBondContact O-N 3.21Å; R94-I97 PolarHBondContact O-N 2.9Å; I97-R99 VanDerWaalsContact C-N 3.3Å; I97-R99 PolarHBondContact O-N 2.88Å; I97-K100 CarbonylContact O-C 3.56Å; I97-K100 PolarHBondContact O-N 3.27Å; I97-E101 HydrophobicContact CG2-CG 4.17Å; I97-E101 WeakPolarHBondContact CG2-OE1 3.4Å; I97-E101 WeakPolarHBondContact O-CB 3.27Å; I97-E101 WeakPolarHBondContact O-CG 3.21Å; I97-E101 PolarHBondContact O-N 3.45Å |
| 98 | Y | 61.1 | Low | 58.5 | Low | 127 Ų | 127 | 108.4 Ų | 108.4 | 50% | 0.498 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -57 | -42.2 | 174.5 | -85.7 | -66.5 | 0 | 0 | 0 | 112.4 | R94 K100 E101 I102 | R94-Y98 HydrophobicContact CG-CD2 3.7Å; R94-Y98 HydrophobicContact CG-CE2 3.52Å; R94-Y98 WeakPolarHBondContact O-CD2 3.46Å; R94-Y98 PolarHBondContact O-N 3.32Å; Y98-K100 PolarHBondContact O-N 2.96Å; Y98-E101 PolarHBondContact O-N 2.97Å; Y98-I102 WeakPolarHBondContact O-CB 3.31Å; Y98-I102 WeakPolarHBondContact O-CD1 3.44Å; Y98-I102 WeakPolarHBondContact O-CG1 3.5Å; Y98-I102 PolarHBondContact O-N 3.44Å |
| 99 | R | 59.1 | Low | 58.7 | Low | 168 Ų | 168 | 107.5 Ų | 107.5 | 63% | 0.634 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.2 | -37.8 | 177.2 | -165.2 | 176.4 | -176.6 | -175.9 | 1.6 | 111.8 | H95 S96 I97 Y103 | H95-R99 WeakPolarHBondContact O-CB 2.96Å; H95-R99 PolarHBondContact O-N 2.88Å; S96-R99 PolarHBondContact O-N 3.44Å; I97-R99 VanDerWaalsContact C-N 3.3Å; I97-R99 PolarHBondContact O-N 2.88Å; R99-Y103 HydrophobicContact CG-CD2 4.11Å; R99-Y103 HydrophobicContact CG-CE2 4.43Å; R99-Y103 VanDerWaalsContact O-CB 3.31Å; R99-Y103 WeakPolarHBondContact O-CB 3.38Å; R99-Y103 WeakPolarHBondContact O-CD2 3.36Å; R99-Y103 PolarHBondContact O-N 2.79Å |
| 100 | K | 60.5 | Low | 58.7 | Low | 154 Ų | 154 | 111.3 Ų | 111.3 | 67% | 0.67 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -70 | -39.3 | 175.8 | -76.9 | -179.5 | 177.8 | -176.8 | 0 | 112.4 | S96 I97 Y98 S104 | S96-K100 WeakPolarHBondContact O-CB 3.34Å; S96-K100 WeakPolarHBondContact O-CG 3.49Å; S96-K100 PolarHBondContact O-N 3.16Å; I97-K100 CarbonylContact O-C 3.56Å; I97-K100 PolarHBondContact O-N 3.27Å; Y98-K100 PolarHBondContact O-N 2.96Å; K100-S104 WeakPolarHBondContact O-CB 3.31Å; K100-S104 PolarHBondContact O-N 3.1Å |
| 101 | E | 60.6 | Low | 58.5 | Low | 101 Ų | 101 | 112.9 Ų | 112.9 | 47% | 0.472 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68.5 | -43 | 177.1 | -72.8 | 176.7 | -177 | 0 | 0 | 111.2 | I97 Y98 S104 L105 | I97-E101 HydrophobicContact CG2-CG 4.17Å; I97-E101 WeakPolarHBondContact CG2-OE1 3.4Å; I97-E101 WeakPolarHBondContact O-CB 3.27Å; I97-E101 WeakPolarHBondContact O-CG 3.21Å; I97-E101 PolarHBondContact O-N 3.45Å; Y98-E101 PolarHBondContact O-N 2.97Å; E101-S104 PolarHBondContact O-N 3.45Å; E101-L105 WeakPolarHBondContact O-CB 3.03Å; E101-L105 WeakPolarHBondContact O-CD1 3.38Å; E101-L105 VanDerWaalsContact O-CG 3.3Å; E101-L105 WeakPolarHBondContact O-CG 3.28Å; E101-L105 PolarHBondContact O-N 3.33Å |
| 102 | I | 58.3 | Low | 58.4 | Low | 109 Ų | 109 | 109.1 Ų | 109.1 | 56% | 0.559 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -66.3 | -42.9 | 175.2 | -64.3 | 164.9 | 0 | 0 | 0 | 110.9 | Y98 L105 A106 | Y98-I102 WeakPolarHBondContact O-CB 3.31Å; Y98-I102 WeakPolarHBondContact O-CD1 3.44Å; Y98-I102 WeakPolarHBondContact O-CG1 3.5Å; Y98-I102 PolarHBondContact O-N 3.44Å; I102-L105 PolarHBondContact O-N 3.38Å; I102-A106 VanDerWaalsContact O-CB 3.26Å; I102-A106 WeakPolarHBondContact O-CB 3.36Å; I102-A106 PolarHBondContact O-N 2.84Å |
| 103 | Y | 57.8 | Low | 58 | Low | 143 Ų | 143 | 109.4 Ų | 109.4 | 56% | 0.561 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.6 | -37.4 | 174.2 | -101.1 | -93.7 | 0 | 0 | 0 | 112.3 | R99 A106 M107 | R99-Y103 HydrophobicContact CG-CD2 4.11Å; R99-Y103 HydrophobicContact CG-CE2 4.43Å; R99-Y103 VanDerWaalsContact O-CB 3.31Å; R99-Y103 WeakPolarHBondContact O-CB 3.38Å; R99-Y103 WeakPolarHBondContact O-CD2 3.36Å; R99-Y103 PolarHBondContact O-N 2.79Å; Y103-A106 PolarHBondContact O-N 3.23Å; Y103-M107 WeakPolarHBondContact O-CB 3.31Å; Y103-M107 PolarHBondContact O-N 3.46Å |
| 104 | S | 58.2 | Low | 57.7 | Low | 61 Ų | 61 | 113.4 Ų | 113.4 | 43% | 0.427 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -65.1 | -45.8 | 175.2 | -173.9 | 0 | 0 | 0 | 0 | 110.6 | K100 E101 A106 M107 Q108 | K100-S104 WeakPolarHBondContact O-CB 3.31Å; K100-S104 PolarHBondContact O-N 3.1Å; E101-S104 PolarHBondContact O-N 3.45Å; S104-A106 PolarHBondContact O-N 2.91Å; S104-M107 PolarHBondContact O-N 3.42Å; S104-Q108 WeakPolarHBondContact O-CA 3.16Å; S104-Q108 WeakPolarHBondContact O-CB 3.22Å; S104-Q108 PolarHBondContact O-N 3.33Å |
| 105 | L | 58.1 | Low | 57.4 | Low | 121 Ų | 121 | 112.2 Ų | 112.2 | 63% | 0.634 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.5 | -40 | 176 | -76.6 | 160.8 | 0 | 0 | 0 | 111.8 | E101 I102 G109 | E101-L105 WeakPolarHBondContact O-CB 3.03Å; E101-L105 WeakPolarHBondContact O-CD1 3.38Å; E101-L105 VanDerWaalsContact O-CG 3.3Å; E101-L105 WeakPolarHBondContact O-CG 3.28Å; E101-L105 PolarHBondContact O-N 3.33Å; I102-L105 PolarHBondContact O-N 3.38Å; L105-G109 PolarHBondContact O-N 3.45Å |
| 106 | A | 60 | Low | 56.9 | Low | 64 Ų | 64 | 115.4 Ų | 115.4 | 53% | 0.529 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.8 | -36.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | I102 Y103 S104 | I102-A106 VanDerWaalsContact O-CB 3.26Å; I102-A106 WeakPolarHBondContact O-CB 3.36Å; I102-A106 PolarHBondContact O-N 2.84Å; Y103-A106 PolarHBondContact O-N 3.23Å; S104-A106 PolarHBondContact O-N 2.91Å |
| 107 | M | 58.2 | Low | 56.5 | Low | 132 Ų | 132 | 119.5 Ų | 119.5 | 65% | 0.65 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -79.4 | -34.6 | 175.6 | -80.1 | -146.1 | 167.4 | 0 | 0 | 113.1 | Y103 S104 N110 | Y103-M107 WeakPolarHBondContact O-CB 3.31Å; Y103-M107 PolarHBondContact O-N 3.46Å; S104-M107 PolarHBondContact O-N 3.42Å; M107-N110 PolarHBondContact O-N 2.83Å |
| 108 | Q | 58.3 | Low | 56 | Low | 129 Ų | 129 | 118.7 Ų | 118.7 | 60% | 0.603 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -77.3 | -29.3 | -179 | -159.8 | 166.1 | 31.1 | 0 | 0 | 111.5 | S104 N110 Q111 | S104-Q108 WeakPolarHBondContact O-CA 3.16Å; S104-Q108 WeakPolarHBondContact O-CB 3.22Å; S104-Q108 PolarHBondContact O-N 3.33Å; Q108-N110 PolarHBondContact O-N 2.96Å; Q108-Q111 PolarHBondContact O-N 2.73Å |
| 109 | G | 56.6 | Low | 55.5 | Low | 40 Ų | 40 | 119.7 Ų | 119.7 | 41% | 0.412 | 59% | 0.593 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.9 | -18.7 | 172.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | L105 | L105-G109 PolarHBondContact O-N 3.45Š|
| 110 | N | 54.2 | Low | 54.9 | Low | 111 Ų | 111 | 116.1 Ų | 116.1 | 59% | 0.594 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.3 | -7.8 | 176.3 | -98.2 | -15.5 | 0 | 0 | 0 | 114.2 | M107 Q108 | M107-N110 PolarHBondContact O-N 2.83Å; Q108-N110 PolarHBondContact O-N 2.96Å |
| 111 | Q | 54.5 | Low | 54.5 | Low | 133 Ų | 133 | 115.3 Ų | 115.3 | 62% | 0.621 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -90.9 | -27.3 | 175.7 | -70.7 | -150.6 | 40.7 | 0 | 0 | 113.3 | Q108 K113 K114 K115 | Q108-Q111 PolarHBondContact O-N 2.73Å; Q111-K113 VanDerWaalsContact C-N 3.32Å; Q111-K113 PolarHBondContact O-N 2.91Å; Q111-K114 PolarHBondContact O-N 3.16Å; Q111-K115 PolarHBondContact O-N 3.31Å |
| 112 | S | 52.9 | Low | 54 | Low | 77 Ų | 77 | 118.2 Ų | 118.2 | 54% | 0.538 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -68.4 | -30 | 176.3 | 60.9 | 0 | 0 | 0 | 0 | 113 | | |
| 113 | K | 52.9 | Low | 53.4 | Low | 154 Ų | 154 | 118.2 Ų | 118.2 | 67% | 0.67 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -78.2 | -36.6 | 175.2 | -68.9 | -174.1 | 176.7 | -177.4 | 0 | 113.2 | Q111 K115 F116 E117 | Q111-K113 VanDerWaalsContact C-N 3.32Å; Q111-K113 PolarHBondContact O-N 2.91Å; K113-K115 PolarHBondContact O-N 3.13Å; K113-F116 PolarHBondContact O-N 3.35Å; K113-E117 PolarHBondContact O-N 3.05Å |
| 114 | K | 53.3 | Low | 52.7 | Low | 155 Ų | 155 | 115.2 Ų | 115.2 | 67% | 0.674 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -72.4 | -26.8 | 178.7 | -73.5 | -173.6 | 176.2 | -174.7 | 0 | 114 | Q111 A118 | Q111-K114 PolarHBondContact O-N 3.16Å; K114-A118 WeakPolarHBondContact O-CB 3.5Å; K114-A118 PolarHBondContact O-N 3.28Å |
| 115 | K | 50.9 | Low | 51.9 | Low | 144 Ų | 144 | 120.5 Ų | 120.5 | 63% | 0.626 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -73.5 | -32.2 | 172.5 | -92.5 | -175.1 | 172.7 | -177.1 | 0 | 113.1 | Q111 K113 H119 | Q111-K115 PolarHBondContact O-N 3.31Å; K113-K115 PolarHBondContact O-N 3.13Å; K115-H119 PolarHBondContact O-CD2 3.42Å |
| 116 | F | 51 | Low | 51.1 | Low | 172 Ų | 172 | 119.9 Ų | 119.9 | 75% | 0.754 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -76.8 | -27.8 | 177.3 | -109.1 | -90.5 | 0 | 0 | 0 | 113.3 | K113 T120 | K113-F116 PolarHBondContact O-N 3.35Å; F116-T120 PolarHBondContact O-OG1 3.42Å |
| 117 | E | 50.3 | Low | 50.4 | Low | 137 Ų | 137 | 122 Ų | 122 | 64% | 0.64 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -81.7 | -31.2 | 179.5 | -150 | 165.7 | -164.3 | 0 | 0 | 112.7 | K113 | K113-E117 PolarHBondContact O-N 3.05Å |
| 118 | A | 48.5 | Very low | 49.5 | Very low | 61 Ų | 61 | 122.8 Ų | 122.8 | 50% | 0.504 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -76.9 | -20.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | K114 | K114-A118 WeakPolarHBondContact O-CB 3.5Å; K114-A118 PolarHBondContact O-N 3.28Å |
| 119 | H | 50.5 | Low | 48.9 | Very low | 147 Ų | 147 | 123.5 Ų | 123.5 | 68% | 0.681 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -10.7 | 178.2 | -75.6 | -62.5 | 0 | 0 | 0 | 114.1 | K115 | K115-H119 PolarHBondContact O-CD2 3.42Š|
| 120 | T | 47.6 | Very low | 48.2 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 58% | 0.577 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -15.5 | -177.2 | -39.2 | 0 | 0 | 0 | 0 | 113.1 | F116 | F116-T120 PolarHBondContact O-OG1 3.42Š|
| 121 | L | 52.1 | Low | 47.7 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 72% | 0.717 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -100.9 | 0.1 | -179.8 | -64.1 | 177.8 | 0 | 0 | 0 | 114.7 | | |
| 122 | L | 50.2 | Low | 47.1 | Very low | 161 Ų | 161 | 130.1 Ų | 130.1 | 84% | 0.843 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -109.9 | 7.1 | 177.6 | -97.2 | 102.9 | 0 | 0 | 0 | 114.8 | | |
| 123 | S | 44.4 | Very low | 46.6 | Very low | 109 Ų | 109 | 135.3 Ų | 135.3 | 76% | 0.762 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -116.2 | 12.7 | -178.5 | -169.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 124 | S | 44 | Very low | 46 | Very low | 81 Ų | 81 | 137.8 Ų | 137.8 | 57% | 0.566 | 74% | 0.735 | S | S | * | * | | | trans | -127.2 | 57.3 | -173.7 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | | |
| 125 | N | 40.5 | Very low | 45.5 | Very low | 171 Ų | 171 | 138 Ų | 138 | 91% | 0.914 | 74% | 0.738 | S | S | * | * | | | trans | -159.6 | 73.8 | 166.2 | -94 | -25.9 | 0 | 0 | 0 | 111.4 | | |
| 126 | S | 43.1 | Very low | 44.9 | Very low | 109 Ų | 109 | 137.7 Ų | 137.7 | 76% | 0.762 | 74% | 0.744 | S | S | * | * | | | trans | -162.1 | 127.6 | 152.8 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | | |
| 127 | S | 44.3 | Very low | 44.6 | Very low | 109 Ų | 109 | 135.5 Ų | 135.5 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | | | trans | 69.1 | 106.4 | 175.3 | 73 | 0 | 0 | 0 | 0 | 114.6 | | |
| 128 | I | 40.4 | Very low | 43.9 | Very low | 147 Ų | 147 | 138.2 Ų | 138.2 | 75% | 0.754 | 75% | 0.752 | S | S | * | * | | | cis | 44.7 | 77.8 | 44.6 | -47 | 177.6 | 0 | 0 | 0 | 110.5 | | |
| 129 | N | 46 | Very low | 43.6 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 77% | 0.768 | S | S | * | * | | | | 172.3 | 132.1 | 124.8 | -84.9 | -29.2 | 0 | 0 | 0 | 112.5 | | |
| 130 | S | 40.4 | Very low | 43.2 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | | | trans | 46.3 | 107.1 | 145.7 | 66.9 | 0 | 0 | 0 | 0 | 119 | | |
| 131 | S | 45.1 | Very low | 42.9 | Very low | 112 Ų | 112 | 147.1 Ų | 147.1 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | | | | 162.2 | 141.2 | 102.3 | 54 | 0 | 0 | 0 | 0 | 110.5 | F133 | S131-F133 PolarHBondContact O-N 2.92Š|
| 132 | K | 39.9 | Very low | 42.6 | Very low | 205 Ų | 205 | 146.4 Ų | 146.4 | 89% | 0.891 | 79% | 0.789 | S | S | * | * | | | trans | -59.9 | 119.9 | 177.9 | -68.5 | 165.6 | 173.6 | 172.8 | 0 | 110.3 | | |
| 133 | F | 44.3 | Very low | 42.2 | Very low | 186 Ų | 186 | 143.9 Ų | 143.9 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | | | trans | -133.7 | 100.5 | 153.1 | -105.6 | -88.1 | 0 | 0 | 0 | 109.5 | S131 H135 | S131-F133 PolarHBondContact O-N 2.92Å; F133-H135 PolarHBondContact O-N 3.31Å |
| 134 | K | 38.3 | Very low | 42.3 | Very low | 207 Ų | 207 | 145.3 Ų | 145.3 | 90% | 0.9 | 78% | 0.784 | S | S | * | * | | | trans | -68.4 | 109 | 154 | -91.7 | -179 | 172.1 | -178.7 | 0 | 106.1 | | |
| 135 | H | 43.5 | Very low | 42.4 | Very low | 158 Ų | 158 | 150 Ų | 150 | 73% | 0.731 | 80% | 0.795 | S | S | * | * | | | trans | -142.2 | 109.5 | 154 | -131.4 | -70.3 | 0 | 0 | 0 | 110.2 | F133 | F133-H135 PolarHBondContact O-N 3.31Š|
| 136 | N | 38.2 | Very low | 42.6 | Very low | 139 Ų | 139 | 147.1 Ų | 147.1 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | | | trans | -52.2 | 131.8 | 157.2 | -156.2 | 11.3 | 0 | 0 | 0 | 108.2 | | |
| 137 | N | 44.8 | Very low | 42.5 | Very low | 125 Ų | 125 | 149.9 Ų | 149.9 | 67% | 0.668 | 79% | 0.79 | S | S | * | * | | | trans | 159 | 120.2 | 142.5 | -78.8 | -15.4 | 0 | 0 | 0 | 111.7 | | |
| 138 | Q | 36.4 | Very low | 42.5 | Very low | 194 Ų | 194 | 151.3 Ų | 151.3 | 91% | 0.907 | 79% | 0.788 | S | S | * | * | | | trans | 33 | 96.9 | 141.9 | -75.7 | 176.1 | -6.9 | 0 | 0 | 116.8 | | |
| 139 | S | 41.8 | Very low | 42.3 | Very low | 120 Ų | 120 | 149.5 Ų | 149.5 | 84% | 0.839 | 79% | 0.788 | S | S | * | * | | | trans | -113.1 | 119 | 149.8 | 57.4 | 0 | 0 | 0 | 0 | 108.8 | E141 | S139-E141 PolarHBondContact O-N 3.49Š|
| 140 | K | 41.6 | Very low | 42 | Very low | 195 Ų | 195 | 147.1 Ų | 147.1 | 85% | 0.848 | 78% | 0.782 | S | S | * | * | | | trans | -53.4 | 116 | 173.5 | -85.7 | 166.7 | 164.5 | 172.3 | 0 | 109.9 | T142 | K140-T142 VanDerWaalsContact C-N 3.34Å; K140-T142 PolarHBondContact O-N 2.93Å |
| 141 | E | 42.3 | Very low | 41.7 | Very low | 174 Ų | 174 | 148.5 Ų | 148.5 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | | | trans | -66.7 | 95.3 | 155 | -93.2 | -175.7 | 144.7 | 0 | 0 | 108.6 | S139 T143 | S139-E141 PolarHBondContact O-N 3.49Å; E141-T143 PolarHBondContact O-N 3.45Å; E141-T143 VanDerWaalsContact O-N 3.08Å |
| 142 | T | 45.1 | Very low | 41.4 | Very low | 123 Ų | 123 | 148.1 Ų | 148.1 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | | | trans | -76.2 | 82.6 | 158.9 | 44.7 | 0 | 0 | 0 | 0 | 108.3 | K140 T144 | K140-T142 VanDerWaalsContact C-N 3.34Å; K140-T142 PolarHBondContact O-N 2.93Å; T142-T144 PolarHBondContact O-N 3.3Å |
| 143 | T | 41.3 | Very low | 41.2 | Very low | 107 Ų | 107 | 144.2 Ų | 144.2 | 66% | 0.656 | 78% | 0.776 | S | S | * | * | | | trans | -75.7 | 95.7 | 167.5 | 19.4 | 0 | 0 | 0 | 0 | 108.9 | E141 K145 | E141-T143 PolarHBondContact O-N 3.45Å; E141-T143 VanDerWaalsContact O-N 3.08Å; T143-K145 PolarHBondContact O-N 2.87Å |
| 144 | T | 46.7 | Very low | 40.8 | Very low | 139 Ų | 139 | 140.1 Ų | 140.1 | 85% | 0.853 | 77% | 0.771 | S | S | * | * | | | trans | -65.6 | 96.3 | 164.3 | 14.8 | 0 | 0 | 0 | 0 | 108.7 | T142 | T142-T144 PolarHBondContact O-N 3.3Š|
| 145 | K | 45.8 | Very low | 40.7 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | | | trans | -63.3 | 126.5 | 172.9 | -69.8 | -179.2 | 178.3 | -178.8 | 0 | 109.7 | T143 I147 | T143-K145 PolarHBondContact O-N 2.87Å; K145-I147 PolarHBondContact O-N 2.87Å |
| 146 | P | 45.1 | Very low | 40.3 | Very low | 110 Ų | 110 | 136.9 Ų | 136.9 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | | | trans | -69.3 | 118.3 | 167.3 | 27.9 | -29.8 | 0 | 0 | 0 | 108.4 | I148 | P146-I148 VanDerWaalsContact C-N 3.35Å; P146-I148 PolarHBondContact O-N 3.26Å |
| 147 | I | 40.5 | Very low | 40 | Very low | 167 Ų | 167 | 139.8 Ų | 139.8 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | | | trans | -70.6 | 94.8 | 171.9 | -61.2 | 172.1 | 0 | 0 | 0 | 106.9 | K145 | K145-I147 PolarHBondContact O-N 2.87Š|
| 148 | I | 44.5 | Very low | 39.6 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 72% | 0.718 | 78% | 0.775 | S | S | * | * | | | trans | -105.6 | 106 | 161.7 | -60.3 | 174.5 | 0 | 0 | 0 | 105.2 | P146 S150 | P146-I148 VanDerWaalsContact C-N 3.35Å; P146-I148 PolarHBondContact O-N 3.26Å; I148-S150 VanDerWaalsContact C-N 3.32Å; I148-S150 PolarHBondContact O-N 2.86Å |
| 149 | S | 36.9 | Very low | 39.3 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | | | trans | -73.2 | 87.5 | 172.1 | 60.7 | 0 | 0 | 0 | 0 | 109.1 | | |
| 150 | S | 39.3 | Very low | 39 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 66% | 0.657 | 77% | 0.765 | S | S | * | * | | | trans | -88.9 | 106.8 | 161.2 | 53 | 0 | 0 | 0 | 0 | 108.1 | I148 S152 | I148-S150 VanDerWaalsContact C-N 3.32Å; I148-S150 PolarHBondContact O-N 2.86Å; S150-S152 PolarHBondContact O-N 3Å; S150-S152 VanDerWaalsContact O-N 3.14Å |
| 151 | V | 34.9 | Very low | 38.6 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | | | trans | -69.7 | 101.4 | 166.4 | 175.3 | 0 | 0 | 0 | 0 | 107 | | |
| 152 | S | 38.4 | Very low | 38.2 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 75% | 0.75 | S | S | * | * | | | trans | -98.8 | 111.3 | 167.4 | 48.9 | 0 | 0 | 0 | 0 | 108.5 | S150 S154 | S150-S152 PolarHBondContact O-N 3Å; S150-S152 VanDerWaalsContact O-N 3.14Å; S152-S154 PolarHBondContact O-N 3.47Å |
| 153 | V | 34.4 | Very low | 37.5 | Very low | 123 Ų | 123 | 143 Ų | 143 | 75% | 0.745 | 75% | 0.752 | S | S | * | * | | | trans | -67.4 | 118.9 | 168.2 | 173.9 | 0 | 0 | 0 | 0 | 107.7 | E155 | V153-E155 HydrophobicContact CG1-CG 4.43Š|
| 154 | S | 37.1 | Very low | 37 | Very low | 101 Ų | 101 | 142.2 Ų | 142.2 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | | | trans | -91.5 | 107.7 | 171 | -156.3 | 0 | 0 | 0 | 0 | 108.2 | S152 D156 | S152-S154 PolarHBondContact O-N 3.47Å; S154-D156 PolarHBondContact O-N 3.04Å |
| 155 | E | 35.9 | Very low | 36.2 | Very low | 149 Ų | 149 | 140.9 Ų | 140.9 | 70% | 0.696 | 75% | 0.748 | S | S | * | * | | | trans | -84.7 | 91.1 | 166.1 | -74.2 | -175 | 158.3 | 0 | 0 | 108.6 | V153 Y157 | V153-E155 HydrophobicContact CG1-CG 4.43Å; E155-Y157 PolarHBondContact O-N 2.86Å |
| 156 | D | 34.8 | Very low | 35.6 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | | | trans | -86.8 | 105.9 | 166.6 | -89.5 | -47.2 | 0 | 0 | 0 | 110 | S154 H158 | S154-D156 PolarHBondContact O-N 3.04Å; D156-H158 PolarHBondContact O-N 2.84Å |
| 157 | Y | 31.5 | Very low | 34.8 | Very low | 199 Ų | 199 | 137 Ų | 137 | 78% | 0.78 | 75% | 0.746 | S | S | * | * | | | trans | -69.8 | 108.8 | 168.9 | -85.4 | -101.4 | 0 | 0 | 0 | 110.1 | E155 | E155-Y157 PolarHBondContact O-N 2.86Š|
| 158 | H | 37.1 | Very low | 34.4 | Very low | 186 Ų | 186 | 136.6 Ų | 136.6 | 86% | 0.861 | 75% | 0.745 | S | S | * | * | | | trans | -141.5 | 103.6 | 155.1 | -110.3 | -67.3 | 0 | 0 | 0 | 111.1 | D156 | D156-H158 PolarHBondContact O-N 2.84Š|
| 159 | R | 29.7 | Very low | 33.7 | Very low | 220 Ų | 220 | 135.4 Ų | 135.4 | 83% | 0.83 | 74% | 0.744 | S | S | * | * | | | trans | -79.7 | 141.3 | 159.3 | -143.4 | -173.2 | 172.8 | -168.3 | -2 | 106.5 | | |
| 160 | P | 35.5 | Very low | 33.4 | Very low | 107 Ų | 107 | 137.4 Ų | 137.4 | 70% | 0.695 | 75% | 0.746 | S | S | * | * | | | | -150.9 | 149.9 | 84.5 | 35.5 | -15 | 0 | 0 | 0 | 116.7 | | |
| 161 | N | 34.9 | Very low | 33 | Very low | 114 Ų | 114 | 141.3 Ų | 141.3 | 61% | 0.61 | 75% | 0.751 | S | S | * | * | | | trans | 64.6 | 124.8 | 138 | -72.4 | -15.5 | 0 | 0 | 0 | 123.4 | | |
| 162 | Q | 33.3 | Very low | 32.9 | Very low | 157 Ų | 157 | 141.3 Ų | 141.3 | 73% | 0.734 | 76% | 0.755 | S | S | * | * | | | trans | 70.5 | 137 | 138.7 | -64 | 175.8 | 25.5 | 0 | 0 | 115.8 | | |
| 163 | R | 29.4 | Very low | 32.7 | Very low | 214 Ų | 214 | 144.1 Ų | 144.1 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | | | cis | -168.1 | 141.6 | 11.4 | -129.6 | -178.7 | 171.6 | 169.1 | -3.2 | 106.3 | | |
| 164 | S | 30.7 | Very low | 32.4 | Very low | 91 Ų | 91 | 147 Ų | 147 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | | | trans | 75.6 | 126.7 | 138.5 | -49.1 | 0 | 0 | 0 | 0 | 122.3 | | |
| 165 | S | 29.8 | Very low | 32.4 | Very low | 111 Ų | 111 | 148.1 Ų | 148.1 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | | | trans | 64 | 132.7 | 138.4 | 47.5 | 0 | 0 | 0 | 0 | 117.1 | | |
| 166 | S | 33.7 | Very low | 32.1 | Very low | 107 Ų | 107 | 147.5 Ų | 147.5 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | | | cis | -167.2 | 150.1 | 30.9 | 36.7 | 0 | 0 | 0 | 0 | 109.9 | | |
| 167 | S | 28.3 | Very low | 32 | Very low | 101 Ų | 101 | 148.2 Ų | 148.2 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | | | trans | -18.3 | 134.4 | 160.4 | 56.5 | 0 | 0 | 0 | 0 | 117.8 | | |
| 168 | L | 33 | Very low | 31.9 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 84% | 0.838 | 77% | 0.767 | S | S | * | * | | | trans | -146.9 | 107.3 | 130.8 | -118.7 | 115.9 | 0 | 0 | 0 | 110.2 | | |
| 169 | T | 28.8 | Very low | 31.7 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 70% | 0.699 | 77% | 0.769 | S | S | * | * | | | trans | -68.6 | 117.7 | 164.8 | 47.7 | 0 | 0 | 0 | 0 | 108.8 | | |
| 170 | N | 32.1 | Very low | 31.7 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | | | trans | -111.6 | 102.9 | 163.5 | -101 | -6.4 | 0 | 0 | 0 | 110.5 | | |
| 171 | K | 30.9 | Very low | 31.6 | Very low | 177 Ų | 177 | 145.3 Ų | 145.3 | 77% | 0.77 | 78% | 0.775 | S | S | * | * | | | trans | -67.6 | 129.1 | 164.2 | -59.8 | 167 | 177.5 | 177.9 | 0 | 107.7 | | |
| 172 | C | 32.9 | Very low | 31.3 | Very low | 134 Ų | 134 | 147.1 Ų | 147.1 | 91% | 0.905 | 78% | 0.78 | S | S | * | * | | | trans | -126.2 | 95.1 | 152.7 | -82.5 | 0 | 0 | 0 | 0 | 107.7 | | |
| 173 | L | 32.4 | Very low | 31.1 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 85% | 0.853 | 78% | 0.776 | S | S | * | * | | | trans | -72.4 | 144.2 | 169.7 | -136.2 | 73.4 | 0 | 0 | 0 | 108.6 | | |
| 174 | F | 28.5 | Very low | 31.3 | Very low | 185 Ų | 185 | 143.8 Ų | 143.8 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | | | trans | -52.4 | 170.1 | 174.7 | -69.7 | -93.5 | 0 | 0 | 0 | 114.6 | | |
| 175 | P | 36.4 | Very low | 31.1 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | | | | -116.6 | 121.4 | 126.3 | 24.3 | -10.5 | 0 | 0 | 0 | 111.3 | | |
| 176 | L | 29.8 | Very low | 31.3 | Very low | 136 Ų | 136 | 146 Ų | 146 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | | | trans | -48.8 | 136.9 | 150.5 | -114.5 | 69.8 | 0 | 0 | 0 | 108.6 | | |
| 177 | D | 33.2 | Very low | 31.3 | Very low | 162 Ų | 162 | 149.6 Ų | 149.6 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | | | trans | -137.8 | 129.2 | 142 | -125.7 | -21.3 | 0 | 0 | 0 | 111.4 | | |
| 178 | N | 29.8 | Very low | 31.4 | Very low | 118 Ų | 118 | 151.8 Ų | 151.8 | 63% | 0.631 | 79% | 0.787 | S | S | * | * | | | trans | -75.7 | 136.6 | -175.7 | -73.1 | -52.6 | 0 | 0 | 0 | 109.6 | | |
| 179 | H | 33.3 | Very low | 31.5 | Very low | 195 Ų | 195 | 153.2 Ų | 153.2 | 90% | 0.903 | 79% | 0.787 | S | S | * | * | | | trans | -151.8 | 110.4 | 137.1 | -106 | -72.7 | 0 | 0 | 0 | 111.2 | | |
| 180 | H | 29.4 | Very low | 31.6 | Very low | 167 Ų | 167 | 155.1 Ų | 155.1 | 77% | 0.773 | 79% | 0.792 | S | S | * | * | | | trans | -43.6 | 131 | 164.8 | -99.5 | -79.2 | 0 | 0 | 0 | 113.2 | | |
| 181 | L | 32.5 | Very low | 31.7 | Very low | 171 Ų | 171 | 154.7 Ų | 154.7 | 90% | 0.895 | 80% | 0.796 | S | S | * | * | | | trans | -158.5 | 96.6 | 130.1 | -133.6 | 83.6 | 0 | 0 | 0 | 112.1 | | |
| 182 | H | 29.8 | Very low | 31.9 | Very low | 153 Ų | 153 | 156 Ų | 156 | 71% | 0.708 | 80% | 0.801 | S | S | * | * | | | trans | 12.1 | 107.8 | 141.6 | -129.6 | -74.7 | 0 | 0 | 0 | 118.8 | | |
| 183 | N | 29.5 | Very low | 31.9 | Very low | 120 Ų | 120 | 154.9 Ų | 154.9 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | | | | 166.1 | 125.7 | 105.7 | -109.8 | -21.2 | 0 | 0 | 0 | 112.4 | | |
| 184 | Q | 31.9 | Very low | 32 | Very low | 180 Ų | 180 | 152.8 Ų | 152.8 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | | | trans | 68.5 | 96.1 | 148.1 | -56.5 | -175.2 | 13.5 | 0 | 0 | 119.5 | | |
| 185 | N | 27.1 | Very low | 32.1 | Very low | 133 Ų | 133 | 151.6 Ų | 151.6 | 71% | 0.711 | 79% | 0.787 | S | S | * | * | | | trans | -132.5 | 151.9 | 145.4 | -155 | -3 | 0 | 0 | 0 | 105.7 | Q187 | N185-Q187 PolarHBondContact OD1-N 3.33Š|
| 186 | P | 34.5 | Very low | 31.8 | Very low | 117 Ų | 117 | 154.8 Ų | 154.8 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | | | | -153.1 | 127.4 | 87 | 34.9 | -14.3 | 0 | 0 | 0 | 114.4 | | |
| 187 | Q | 32.3 | Very low | 31.8 | Very low | 182 Ų | 182 | 154.1 Ų | 154.1 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | | | | -157.6 | 110.1 | 126.2 | -113.4 | -176.6 | 49.6 | 0 | 0 | 112.5 | N185 | N185-Q187 PolarHBondContact OD1-N 3.33Š|
| 188 | I | 31.1 | Very low | 31.8 | Very low | 147 Ų | 147 | 154.9 Ų | 154.9 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | | | trans | -81.7 | 132.4 | 171.1 | -65.9 | 163.2 | 0 | 0 | 0 | 108.2 | | |
| 189 | K | 34.6 | Very low | 31.9 | Very low | 190 Ų | 190 | 156.6 Ų | 156.6 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | | | trans | -165.4 | 111.4 | 145.4 | -106.9 | 160.1 | -171.1 | -179.8 | 0 | 112.8 | | |
| 190 | N | 31.4 | Very low | 31.8 | Very low | 153 Ų | 153 | 152.5 Ų | 152.5 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | | | trans | 65.3 | 80.3 | 147.8 | -61.5 | -13 | 0 | 0 | 0 | 119.5 | | |
| 191 | T | 35 | Very low | 32 | Very low | 142 Ų | 142 | 151 Ų | 151 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | | | trans | -110.7 | 112.1 | 148.8 | 37.4 | 0 | 0 | 0 | 0 | 109.4 | S193 | T191-S193 PolarHBondContact O-N 3.08Š|
| 192 | K | 34.5 | Very low | 32.2 | Very low | 205 Ų | 205 | 148.2 Ų | 148.2 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | | | trans | -69.7 | 108.7 | 162.7 | -96.3 | -178.7 | 173.6 | -179.1 | 0 | 107.2 | V194 | K192-V194 PolarHBondContact O-N 3.02Š|
| 193 | S | 33.9 | Very low | 32.2 | Very low | 110 Ų | 110 | 144.6 Ų | 144.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | | | trans | -69.1 | 117.4 | 164 | 46.5 | 0 | 0 | 0 | 0 | 108.8 | T191 | T191-S193 PolarHBondContact O-N 3.08Š|
| 194 | V | 32.7 | Very low | 32.5 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 72% | 0.715 | 80% | 0.799 | S | S | * | * | | | trans | -90.9 | 100.1 | 165.3 | 176.8 | 0 | 0 | 0 | 0 | 105.9 | K192 | K192-V194 PolarHBondContact O-N 3.02Š|
| 195 | M | 30.8 | Very low | 32.7 | Very low | 161 Ų | 161 | 144 Ų | 144 | 79% | 0.793 | 80% | 0.802 | S | S | * | * | | | trans | -79 | 118.9 | 172.6 | -140.7 | -166.2 | -65.4 | 0 | 0 | 107.6 | T197 | M195-T197 PolarHBondContact O-N 3.45Š|
| 196 | F | 30.4 | Very low | 33.1 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 84% | 0.838 | 80% | 0.804 | S | S | * | * | | | trans | -76.4 | 104.2 | 166.7 | -76 | -88.8 | 0 | 0 | 0 | 107.6 | E198 | F196-E198 PolarHBondContact O-N 3.37Å; F196-E198 VanDerWaalsContact O-N 3.16Å |
| 197 | T | 31.1 | Very low | 33.2 | Very low | 121 Ų | 121 | 145.3 Ų | 145.3 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | | | trans | -71.1 | 101.8 | 164.5 | 33.2 | 0 | 0 | 0 | 0 | 108.4 | M195 N199 | M195-T197 PolarHBondContact O-N 3.45Å; T197-N199 PolarHBondContact O-N 3.19Å |
| 198 | E | 32.7 | Very low | 33.4 | Very low | 178 Ų | 178 | 143.2 Ų | 143.2 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | | | trans | -67.3 | 119.4 | 161.1 | -142.4 | 170.5 | -168.9 | 0 | 0 | 107.2 | F196 C200 | F196-E198 PolarHBondContact O-N 3.37Å; F196-E198 VanDerWaalsContact O-N 3.16Å; E198-C200 VanDerWaalsContact C-N 3.32Å; E198-C200 PolarHBondContact O-N 3.22Å |
| 199 | N | 30.7 | Very low | 33.5 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | | | trans | -67.7 | 92.8 | 174.9 | -99 | 11.5 | 0 | 0 | 0 | 108.5 | T197 C201 | T197-N199 PolarHBondContact O-N 3.19Å; N199-C201 PolarHBondContact O-N 2.91Å |
| 200 | C | 32.5 | Very low | 33.4 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 74% | 0.736 | 79% | 0.793 | S | S | * | * | | | trans | -67.8 | 112.9 | 163 | -81.3 | 0 | 0 | 0 | 0 | 109 | E198 S202 | E198-C200 VanDerWaalsContact C-N 3.32Å; E198-C200 PolarHBondContact O-N 3.22Å; C200-S202 VanDerWaalsContact C-N 3.31Å; C200-S202 PolarHBondContact O-N 2.84Å |
| 201 | C | 33.5 | Very low | 33.6 | Very low | 134 Ų | 134 | 136.7 Ų | 136.7 | 91% | 0.905 | 79% | 0.788 | S | S | * | * | | | trans | -63.7 | 90.6 | 164 | -65.9 | 0 | 0 | 0 | 0 | 109.2 | N199 G203 | N199-C201 PolarHBondContact O-N 2.91Å; C201-G203 PolarHBondContact O-N 3.45Å |
| 202 | S | 35.4 | Very low | 33.2 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 79% | 0.789 | S | S | * | * | | | trans | -82.4 | 98.1 | 160.3 | -78.6 | 0 | 0 | 0 | 0 | 108.3 | C200 V204 | C200-S202 VanDerWaalsContact C-N 3.31Å; C200-S202 PolarHBondContact O-N 2.84Å; S202-V204 PolarHBondContact O-N 2.86Å |
| 203 | G | 30.9 | Very low | 33.3 | Very low | 76 Ų | 76 | 131.9 Ų | 131.9 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | | | trans | -67.5 | 122.5 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | C201 | C201-G203 PolarHBondContact O-N 3.45Š|
| 204 | V | 34.8 | Very low | 33 | Very low | 118 Ų | 118 | 133.7 Ų | 133.7 | 72% | 0.715 | 78% | 0.781 | S | S | * | * | | | trans | -137.3 | 97 | 155.8 | -176 | 0 | 0 | 0 | 0 | 104.9 | S202 | S202-V204 PolarHBondContact O-N 2.86Š|
| 205 | N | 36.3 | Very low | 33 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 90% | 0.904 | 79% | 0.788 | S | S | * | * | | | trans | -147 | 108.4 | 145.4 | -95.4 | -16.1 | 0 | 0 | 0 | 107.1 | | |
| 206 | D | 36.7 | Very low | 32.9 | Very low | 139 Ų | 139 | 138 Ų | 138 | 74% | 0.743 | 79% | 0.787 | S | S | * | * | | | trans | -44 | 145.6 | 164.5 | -84.5 | -50.2 | 0 | 0 | 0 | 113 | | |
| 207 | I | 36.3 | Very low | 32.8 | Very low | 140 Ų | 140 | 136.7 Ų | 136.7 | 72% | 0.718 | 78% | 0.784 | S | S | * | * | | | trans | 89.1 | 101.7 | 151.4 | -58.7 | 148.5 | 0 | 0 | 0 | 116.4 | | |
| 208 | N | 36.7 | Very low | 32.8 | Very low | 138 Ų | 138 | 138.2 Ų | 138.2 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | | | trans | 108 | 121.9 | 148.9 | -62.3 | -16.8 | 0 | 0 | 0 | 118.1 | | |
| 209 | D | 33.4 | Very low | 32.5 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | | | trans | 83.3 | 78.6 | 153.7 | -57.7 | -20.8 | 0 | 0 | 0 | 119.1 | | |
| 210 | S | 32.4 | Very low | 32.6 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | | | | 68.7 | 130.3 | 116.9 | 74.9 | 0 | 0 | 0 | 0 | 120 | | |
| 211 | S | 35 | Very low | 32.5 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | | | trans | 84.7 | 63 | 163.2 | 73.4 | 0 | 0 | 0 | 0 | 118 | T213 | S211-T213 PolarHBondContact O-N 3.49Š|
| 212 | C | 26.3 | Very low | 32.3 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 89% | 0.885 | 77% | 0.767 | S | S | * | * | | | trans | -69 | 110.8 | 139.4 | -71.4 | 0 | 0 | 0 | 0 | 108.4 | | |
| 213 | T | 36.6 | Very low | 32 | Very low | 114 Ų | 114 | 134.8 Ų | 134.8 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | | | trans | -114.9 | 108.2 | 161.1 | 43 | 0 | 0 | 0 | 0 | 109.3 | S211 | S211-T213 PolarHBondContact O-N 3.49Š|
| 214 | N | 28.9 | Very low | 32 | Very low | 149 Ų | 149 | 140.8 Ų | 140.8 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | | | trans | -58 | 131.4 | 162.5 | -68.2 | -52.5 | 0 | 0 | 0 | 109.7 | | |
| 215 | Y | 32.5 | Very low | 32 | Very low | 221 Ų | 221 | 139.5 Ų | 139.5 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | | | trans | -136.2 | 107.2 | 147.1 | -82.2 | -76.5 | 0 | 0 | 0 | 110 | | |
| 216 | L | 29.2 | Very low | 31.7 | Very low | 147 Ų | 147 | 137 Ų | 137 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | | | trans | -64.6 | 155.6 | 162.5 | -162 | 75.2 | 0 | 0 | 0 | 109.8 | | |
| 217 | E | 27.7 | Very low | 31.4 | Very low | 165 Ų | 165 | 136.1 Ų | 136.1 | 77% | 0.771 | 77% | 0.77 | S | S | * | * | | | trans | 60.8 | 106.6 | 160.1 | -85.3 | 177.4 | 144.3 | 0 | 0 | 119 | | |
| 218 | N | 30.5 | Very low | 31.3 | Very low | 152 Ų | 152 | 138.6 Ų | 138.6 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | | | | -171.2 | 132.5 | 102.8 | -106.5 | -11.4 | 0 | 0 | 0 | 111.3 | D220 | N218-D220 PolarHBondContact O-N 2.89Š|
| 219 | S | 26.9 | Very low | 31.3 | Very low | 107 Ų | 107 | 140.6 Ų | 140.6 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | | | trans | -47.2 | 124.9 | 158.1 | -55.9 | 0 | 0 | 0 | 0 | 109.9 | | |
| 220 | D | 32.4 | Very low | 31.2 | Very low | 155 Ų | 155 | 140.8 Ų | 140.8 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | | | trans | -164.9 | 132.8 | 142.8 | -94.3 | -30.5 | 0 | 0 | 0 | 111.3 | N218 | N218-D220 PolarHBondContact O-N 2.89Š|
| 221 | S | 30.1 | Very low | 31.4 | Very low | 86 Ų | 86 | 141.3 Ų | 141.3 | 60% | 0.601 | 77% | 0.772 | S | S | * | * | | | trans | -44.6 | 136.1 | 166.5 | 50.6 | 0 | 0 | 0 | 0 | 113.7 | | |
| 222 | N | 30.4 | Very low | 31.4 | Very low | 130 Ų | 130 | 142.9 Ų | 142.9 | 70% | 0.695 | 78% | 0.778 | S | S | * | * | | | | 147 | 119.3 | 123.9 | -74.3 | -38.7 | 0 | 0 | 0 | 113 | | |
| 223 | I | 28.3 | Very low | 31.8 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 72% | 0.718 | 77% | 0.774 | S | S | * | * | | | trans | 53.5 | 117.3 | 130.7 | -51.6 | 169.8 | 0 | 0 | 0 | 117 | | |
| 224 | F | 30.6 | Very low | 31.7 | Very low | 202 Ų | 202 | 144.8 Ų | 144.8 | 89% | 0.886 | 78% | 0.782 | S | S | * | * | | | trans | -157.9 | 97.6 | 132.3 | -120.3 | -83.1 | 0 | 0 | 0 | 112.2 | | |
| 225 | A | 34 | Very low | 31.8 | Very low | 91 Ų | 91 | 143.9 Ų | 143.9 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | | | trans | -74 | 125 | 156.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | S227 | A225-S227 PolarHBondContact O-N 3.28Š|
| 226 | S | 30.3 | Very low | 31.9 | Very low | 116 Ų | 116 | 140.7 Ų | 140.7 | 81% | 0.811 | 78% | 0.778 | S | S | * | * | | | trans | -77.3 | 108.2 | -179.6 | -166.7 | 0 | 0 | 0 | 0 | 110.2 | | |
| 227 | S | 32.1 | Very low | 31.9 | Very low | 121 Ų | 121 | 140.4 Ų | 140.4 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | | | trans | -129.4 | 112.3 | 159.5 | -169.2 | 0 | 0 | 0 | 0 | 108.5 | A225 | A225-S227 PolarHBondContact O-N 3.28Š|
| 228 | R | 33.8 | Very low | 32.1 | Very low | 193 Ų | 193 | 139.8 Ų | 139.8 | 73% | 0.728 | 78% | 0.779 | S | S | * | * | | | trans | -100.3 | 125.8 | -178.2 | -109.6 | -174.8 | 178.4 | -175 | 2.5 | 110.1 | | |
| 229 | R | 36.6 | Very low | 32.1 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 68% | 0.675 | 78% | 0.781 | S | S | * | * | | | trans | 96.1 | 107.7 | 136.9 | -68.1 | 175.3 | -176.5 | 174.9 | -1.9 | 120 | | |
| 230 | N | 30.6 | Very low | 32.3 | Very low | 149 Ų | 149 | 138.7 Ų | 138.7 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | | | | 72.5 | 98.4 | 121.5 | -62 | 4.7 | 0 | 0 | 0 | 119 | | |
| 231 | S | 35.9 | Very low | 32.4 | Very low | 116 Ų | 116 | 137 Ų | 137 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | | | | -172.5 | 125.3 | 118.7 | 48 | 0 | 0 | 0 | 0 | 110.4 | | |
| 232 | T | 36.8 | Very low | 32.4 | Very low | 136 Ų | 136 | 144 Ų | 144 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | | | trans | -41.3 | 139.3 | 175.8 | 42.1 | 0 | 0 | 0 | 0 | 116.1 | | |
| 233 | P | 33.4 | Very low | 32.5 | Very low | 124 Ų | 124 | 143 Ų | 143 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | | | trans | -94.4 | 112.5 | 162.4 | 33.1 | -22.5 | 0 | 0 | 0 | 109.6 | | |
| 234 | N | 35.8 | Very low | 32.5 | Very low | 161 Ų | 161 | 141.4 Ų | 141.4 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | | | trans | -84.3 | 126.3 | 162.8 | -119.5 | -4.5 | 0 | 0 | 0 | 108.3 | I236 | N234-I236 PolarHBondContact O-N 3.41Š|
| 235 | V | 30.1 | Very low | 32.5 | Very low | 130 Ų | 130 | 140.3 Ų | 140.3 | 79% | 0.788 | 79% | 0.787 | S | S | * | * | | | trans | -61.9 | 115.6 | 176.9 | 173.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 236 | I | 35.3 | Very low | 32.2 | Very low | 154 Ų | 154 | 143 Ų | 143 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | | | trans | -143.8 | 120.7 | 153 | -58.6 | -175.9 | 0 | 0 | 0 | 108.3 | N234 | N234-I236 PolarHBondContact O-N 3.41Š|
| 237 | N | 28.7 | Very low | 32.2 | Very low | 141 Ų | 141 | 144.3 Ų | 144.3 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | | | trans | -48.8 | 131.9 | 166.6 | -83.7 | -22.6 | 0 | 0 | 0 | 111.2 | | |
| 238 | D | 32.5 | Very low | 32.1 | Very low | 153 Ų | 153 | 143.3 Ų | 143.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | | | trans | -151.9 | 95.2 | 143.7 | -94.4 | -31.3 | 0 | 0 | 0 | 110.2 | S240 | D238-S240 PolarHBondContact O-N 3.3Š|
| 239 | T | 29.3 | Very low | 32 | Very low | 138 Ų | 138 | 139 Ų | 139 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | | | trans | -55.7 | 107 | 152.7 | 8.6 | 0 | 0 | 0 | 0 | 109.3 | | |
| 240 | S | 32.3 | Very low | 31.6 | Very low | 98 Ų | 98 | 135 Ų | 135 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | | | trans | -173.3 | 151.9 | 144.4 | 50.9 | 0 | 0 | 0 | 0 | 111.3 | D238 | D238-S240 PolarHBondContact O-N 3.3Š|
| 241 | V | 34.8 | Very low | 31.7 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | | | trans | 84.6 | 64.8 | 165.9 | -154.2 | 0 | 0 | 0 | 0 | 115.9 | T243 | V241-T243 PolarHBondContact O-N 2.88Š|
| 242 | Y | 28.4 | Very low | 31.4 | Very low | 234 Ų | 234 | 133.3 Ų | 133.3 | 92% | 0.918 | 77% | 0.767 | S | S | * | * | | | | -46.5 | 122 | 126.7 | -100.1 | -100.6 | 0 | 0 | 0 | 109.3 | | |
| 243 | T | 32.6 | Very low | 31.2 | Very low | 110 Ų | 110 | 134.3 Ų | 134.3 | 68% | 0.675 | 76% | 0.762 | S | S | * | * | | | trans | -171.5 | 116.1 | 140 | 34.9 | 0 | 0 | 0 | 0 | 110.8 | V241 | V241-T243 PolarHBondContact O-N 2.88Š|
| 244 | S | 27.9 | Very low | 31.2 | Very low | 105 Ų | 105 | 133.2 Ų | 133.2 | 73% | 0.734 | 75% | 0.749 | S | S | * | * | | | trans | 57.2 | 108.4 | 140.5 | 65.1 | 0 | 0 | 0 | 0 | 119.3 | | |
| 245 | M | 31.2 | Very low | 30.9 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 88% | 0.882 | 75% | 0.749 | S | S | * | * | | | | -157.6 | 103 | 118.5 | -108.2 | 172.8 | -146.5 | 0 | 0 | 110.5 | I247 | M245-I247 PolarHBondContact O-N 3.36Š|
| 246 | N | 27.2 | Very low | 31 | Very low | 147 Ų | 147 | 139.8 Ų | 139.8 | 79% | 0.786 | 75% | 0.749 | S | S | * | * | | | trans | -73.4 | 106.8 | 167.4 | -168.4 | 2.1 | 0 | 0 | 0 | 107.3 | T248 | N246-T248 PolarHBondContact OD1-OG1 2.91Š|
| 247 | I | 32 | Very low | 30.9 | Very low | 144 Ų | 144 | 138 Ų | 138 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | | | trans | -108.4 | 84.3 | 168.9 | -56.5 | 178.5 | 0 | 0 | 0 | 107.1 | M245 A249 | M245-I247 PolarHBondContact O-N 3.36Å; I247-A249 PolarHBondContact O-N 3.45Å |
| 248 | T | 29.5 | Very low | 31.2 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | | | trans | -62.5 | 112.7 | 157 | -48.9 | 0 | 0 | 0 | 0 | 106.7 | N246 S250 | N246-T248 PolarHBondContact OD1-OG1 2.91Å; T248-S250 PolarHBondContact O-N 3.26Å |
| 249 | A | 31.1 | Very low | 31.3 | Very low | 102 Ų | 102 | 136.9 Ų | 136.9 | 84% | 0.843 | 75% | 0.749 | S | S | * | * | | | trans | -72.9 | 74.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | I247 | I247-A249 PolarHBondContact O-N 3.45Š|
| 250 | S | 28.5 | Very low | 31.5 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | | | trans | -93 | 93.3 | 158 | 57.9 | 0 | 0 | 0 | 0 | 108.3 | T248 | T248-S250 PolarHBondContact O-N 3.26Š|
| 251 | L | 31.8 | Very low | 31.5 | Very low | 142 Ų | 142 | 135.9 Ų | 135.9 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | | | trans | -133.5 | 71 | 160.6 | -148 | 75.9 | 0 | 0 | 0 | 109.1 | I254 | L251-I254 HydrophobicContact CD2-CD1 3.68Å; L251-I254 HydrophobicContact CD2-CG1 4.16Å |
| 252 | S | 31.2 | Very low | 31.3 | Very low | 89 Ų | 89 | 139.6 Ų | 139.6 | 62% | 0.622 | 75% | 0.754 | S | S | * | * | | | trans | -57 | 147.8 | 146.1 | 46.4 | 0 | 0 | 0 | 0 | 109 | | |
| 253 | H | 31.7 | Very low | 31.4 | Very low | 156 Ų | 156 | 135.3 Ų | 135.3 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | | | trans | 69.9 | 74.2 | 170.3 | -59.8 | -71.2 | 0 | 0 | 0 | 117.8 | | |
| 254 | I | 33.4 | Very low | 31.5 | Very low | 102 Ų | 102 | 137.9 Ų | 137.9 | 52% | 0.523 | 76% | 0.756 | S | S | . | * | | | trans | -126 | 92.7 | 139.4 | -51.4 | -179.9 | 0 | 0 | 0 | 109.3 | L251 Y256 | L251-I254 HydrophobicContact CD2-CD1 3.68Å; L251-I254 HydrophobicContact CD2-CG1 4.16Å; I254-Y256 HydrophobicContact CB-CE2 4.23Å; I254-Y256 HydrophobicContact CG2-CD1 4.44Å; I254-Y256 HydrophobicContact CG2-CD2 3.55Å; I254-Y256 HydrophobicContact CG2-CE1 4.07Å; I254-Y256 HydrophobicContact CG2-CE2 3.1Å; I254-Y256 HydrophobicContact CG2-CG 4.2Å; I254-Y256 PolarHBondContact O-N 2.89Å |
| 255 | R | 29.6 | Very low | 31.6 | Very low | 228 Ų | 228 | 137.1 Ų | 137.1 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | | | trans | -74.2 | 108 | 164.2 | -71.6 | -172.9 | -176.6 | -172.1 | 2.8 | 107.6 | | |
| 256 | Y | 32.3 | Very low | 31.5 | Very low | 201 Ų | 201 | 136.7 Ų | 136.7 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | | | trans | -95.8 | 104.2 | 159.2 | -71.5 | -67.4 | 0 | 0 | 0 | 108.5 | I254 L258 | I254-Y256 HydrophobicContact CB-CE2 4.23Å; I254-Y256 HydrophobicContact CG2-CD1 4.44Å; I254-Y256 HydrophobicContact CG2-CD2 3.55Å; I254-Y256 HydrophobicContact CG2-CE1 4.07Å; I254-Y256 HydrophobicContact CG2-CE2 3.1Å; I254-Y256 HydrophobicContact CG2-CG 4.2Å; I254-Y256 PolarHBondContact O-N 2.89Å; Y256-L258 PolarHBondContact O-N 3.46Å |
| 257 | S | 32.5 | Very low | 31.7 | Very low | 116 Ų | 116 | 138 Ų | 138 | 81% | 0.811 | 75% | 0.753 | S | S | * | * | | | trans | -63.2 | 110 | 165.7 | 45.7 | 0 | 0 | 0 | 0 | 109.3 | | |
| 258 | L | 35.5 | Very low | 31.6 | Very low | 159 Ų | 159 | 136 Ų | 136 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | | | trans | -69.5 | 141.3 | 166.3 | -85.5 | 151.6 | 0 | 0 | 0 | 109.5 | Y256 S260 | Y256-L258 PolarHBondContact O-N 3.46Å; L258-S260 PolarHBondContact O-N 3.4Å |
| 259 | P | 34.6 | Very low | 31.7 | Very low | 111 Ų | 111 | 138.2 Ų | 138.2 | 72% | 0.721 | 76% | 0.759 | S | S | * | * | | | trans | -60.9 | 122.9 | 178.4 | -16.6 | 28.8 | 0 | 0 | 0 | 110.6 | C261 | P259-C261 PolarHBondContact O-N 2.79Š|
| 260 | S | 33.1 | Very low | 31.8 | Very low | 118 Ų | 118 | 140.8 Ų | 140.8 | 83% | 0.825 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -71.3 | 64.8 | 172.4 | 51.7 | 0 | 0 | 0 | 0 | 111.1 | L258 | L258-S260 PolarHBondContact O-N 3.4Š|
| 261 | C | 32.6 | Very low | 32 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 66% | 0.662 | 76% | 0.758 | S | S | * | * | | | trans | -146.5 | 55.5 | 175.2 | -49.6 | 0 | 0 | 0 | 0 | 110.9 | P259 | P259-C261 PolarHBondContact O-N 2.79Š|
| 262 | F | 31.7 | Very low | 32.1 | Very low | 196 Ų | 196 | 140 Ų | 140 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | | | trans | -130.7 | 67.1 | 158.7 | -109.2 | -85.2 | 0 | 0 | 0 | 108.5 | Q264 | F262-Q264 VanDerWaalsContact C-N 3.28Å; F262-Q264 PolarHBondContact O-N 2.94Å; F262-Q264 VanDerWaalsContact O-N 3.16Å |
| 263 | T | 29.9 | Very low | 32.3 | Very low | 143 Ų | 143 | 145.6 Ų | 145.6 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | | | trans | -75.2 | 86 | 158.8 | 48.2 | 0 | 0 | 0 | 0 | 107.2 | | |
| 264 | Q | 33.4 | Very low | 32.2 | Very low | 164 Ų | 164 | 143.6 Ų | 143.6 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | | | trans | -86 | 110.1 | 160.6 | -161.7 | 165.7 | 16.3 | 0 | 0 | 107.2 | F262 N266 | F262-Q264 VanDerWaalsContact C-N 3.28Å; F262-Q264 PolarHBondContact O-N 2.94Å; F262-Q264 VanDerWaalsContact O-N 3.16Å; Q264-N266 PolarHBondContact O-N 3.34Å |
| 265 | S | 32 | Very low | 32.2 | Very low | 90 Ų | 90 | 145.6 Ų | 145.6 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | | | trans | -36.9 | 122.5 | 175.8 | 49.9 | 0 | 0 | 0 | 0 | 113.7 | Q267 | S265-Q267 PolarHBondContact O-N 3.13Š|
| 266 | N | 28.2 | Very low | 32.3 | Very low | 169 Ų | 169 | 139.6 Ų | 139.6 | 90% | 0.904 | 78% | 0.78 | S | S | * | * | | | trans | -55.5 | 102.2 | 157.5 | -76.2 | -33 | 0 | 0 | 0 | 109.7 | Q264 | Q264-N266 PolarHBondContact O-N 3.34Š|
| 267 | Q | 31.8 | Very low | 32.2 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 81% | 0.813 | 78% | 0.782 | S | S | * | * | | | trans | -146 | 87.9 | 162.7 | -77.9 | -167.8 | 18.1 | 0 | 0 | 110.7 | S265 | S265-Q267 PolarHBondContact O-N 3.13Š|
| 268 | S | 29.9 | Very low | 32.2 | Very low | 103 Ų | 103 | 138.3 Ų | 138.3 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | | | trans | -174.8 | 90.3 | 141.2 | 57 | 0 | 0 | 0 | 0 | 105.1 | D270 | S268-D270 PolarHBondContact O-N 3.46Š|
| 269 | I | 31.4 | Very low | 31.9 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | | | | 31 | 75 | 93.9 | -45.8 | 176.6 | 0 | 0 | 0 | 110.8 | | |
| 270 | D | 32.4 | Very low | 31.9 | Very low | 157 Ų | 157 | 137.1 Ų | 137.1 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | | | trans | -119.2 | 76.3 | 136.2 | -92 | -36.3 | 0 | 0 | 0 | 106.8 | S268 S272 | S268-D270 PolarHBondContact O-N 3.46Å; D270-S272 VanDerWaalsContact C-N 3.32Å; D270-S272 PolarHBondContact O-N 2.9Å; D270-S272 VanDerWaalsContact O-N 3.08Å |
| 271 | S | 33.5 | Very low | 31.6 | Very low | 92 Ų | 92 | 136.6 Ų | 136.6 | 64% | 0.643 | 78% | 0.781 | S | S | * | * | | | trans | -66.3 | 94.2 | 159.6 | 43.1 | 0 | 0 | 0 | 0 | 108.1 | R273 | S271-R273 PolarHBondContact O-N 3.26Š|
| 272 | S | 32.9 | Very low | 31.7 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | | | trans | -70.5 | 66.9 | 154.8 | 46 | 0 | 0 | 0 | 0 | 108.9 | D270 | D270-S272 VanDerWaalsContact C-N 3.32Å; D270-S272 PolarHBondContact O-N 2.9Å; D270-S272 VanDerWaalsContact O-N 3.08Å |
| 273 | R | 35.3 | Very low | 31.8 | Very low | 206 Ų | 206 | 135.3 Ų | 135.3 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | | | trans | -112.1 | 101.9 | 164.7 | -146.6 | 175 | -166.8 | -176.2 | 2.9 | 106.9 | S271 L275 | S271-R273 PolarHBondContact O-N 3.26Å; R273-L275 PolarHBondContact O-N 2.86Å |
| 274 | S | 30.6 | Very low | 32.2 | Very low | 114 Ų | 114 | 132.2 Ų | 132.2 | 80% | 0.797 | 77% | 0.766 | S | S | * | * | | | trans | -39.2 | 118.3 | 159.8 | 46.7 | 0 | 0 | 0 | 0 | 109.5 | | |
| 275 | L | 32.4 | Very low | 32.2 | Very low | 144 Ų | 144 | 134.9 Ų | 134.9 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | | | trans | -161.3 | 114.1 | 158.6 | -103.5 | 146.7 | 0 | 0 | 0 | 109.6 | R273 | R273-L275 PolarHBondContact O-N 2.86Š|
| 276 | S | 32.7 | Very low | 32.3 | Very low | 101 Ų | 101 | 138.4 Ų | 138.4 | 71% | 0.706 | 78% | 0.782 | S | S | * | * | | | trans | 58.9 | 105.5 | 150.2 | 47 | 0 | 0 | 0 | 0 | 118.6 | M278 | S276-M278 PolarHBondContact O-N 2.72Š|
| 277 | S | 29.6 | Very low | 32.4 | Very low | 118 Ų | 118 | 138.9 Ų | 138.9 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | | | trans | -34.8 | 123.6 | 147.1 | 55.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 278 | M | 32.6 | Very low | 32.6 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 85% | 0.847 | 78% | 0.784 | S | S | * | * | | | trans | -146.8 | 112.8 | 142.5 | -119.3 | 164.2 | 81.7 | 0 | 0 | 108.3 | S276 | S276-M278 PolarHBondContact O-N 2.72Š|
| 279 | A | 30.5 | Very low | 32.9 | Very low | 103 Ų | 103 | 138.6 Ų | 138.6 | 85% | 0.851 | 78% | 0.784 | S | S | * | * | | | trans | -71.4 | 122.7 | 176 | 0 | 0 | 0 | 0 | 0 | 109.5 | | |
| 280 | I | 33.2 | Very low | 33.1 | Very low | 143 Ų | 143 | 140.3 Ų | 140.3 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | | | trans | -134.8 | 99.9 | 160.2 | -57.7 | 178.6 | 0 | 0 | 0 | 106.4 | | |
| 281 | S | 27.6 | Very low | 33.2 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | | | trans | -63.1 | 143.6 | 164.2 | 168 | 0 | 0 | 0 | 0 | 109 | | |
| 282 | P | 34.8 | Very low | 33.5 | Very low | 94 Ų | 94 | 145 Ų | 145 | 61% | 0.61 | 80% | 0.802 | S | S | * | * | | | | -145.4 | 132.9 | 122.1 | 28.9 | -10.2 | 0 | 0 | 0 | 113.8 | S284 | P282-S284 VanDerWaalsContact C-N 3.29Å; P282-S284 PolarHBondContact O-N 2.81Å |
| 283 | N | 34.2 | Very low | 33.4 | Very low | 173 Ų | 173 | 150.3 Ų | 150.3 | 93% | 0.925 | 80% | 0.803 | S | S | * | * | | | trans | -52.7 | 97.6 | 138.8 | -107.2 | -33.1 | 0 | 0 | 0 | 108.6 | | |
| 284 | S | 37.8 | Very low | 33.4 | Very low | 78 Ų | 78 | 146.5 Ų | 146.5 | 55% | 0.545 | 80% | 0.802 | S | S | . | * | | | trans | -155.6 | 112.7 | 159.6 | 60.1 | 0 | 0 | 0 | 0 | 110 | P282 Q286 | P282-S284 VanDerWaalsContact C-N 3.29Å; P282-S284 PolarHBondContact O-N 2.81Å; S284-Q286 PolarHBondContact O-N 2.75Å |
| 285 | K | 32.4 | Very low | 33.6 | Very low | 219 Ų | 219 | 151.5 Ų | 151.5 | 95% | 0.952 | 80% | 0.803 | S | S | * | * | | | trans | -56.9 | 105.8 | 165.3 | -63.9 | 171.8 | 178.8 | 177.8 | 0 | 108.2 | | |
| 286 | Q | 33.9 | Very low | 33.6 | Very low | 165 Ų | 165 | 152 Ų | 152 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | | | trans | -119.5 | 109.4 | 161.5 | -100.6 | -176.7 | 5.1 | 0 | 0 | 109 | S284 L288 | S284-Q286 PolarHBondContact O-N 2.75Å; Q286-L288 PolarHBondContact O-N 2.83Å |
| 287 | L | 31.2 | Very low | 33.6 | Very low | 179 Ų | 179 | 155.4 Ų | 155.4 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | | | trans | -55.9 | 110.8 | 163.4 | -80.4 | 139.5 | 0 | 0 | 0 | 108.7 | | |
| 288 | L | 36.5 | Very low | 33.9 | Very low | 157 Ų | 157 | 157.2 Ų | 157.2 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | | | trans | -89.8 | 129 | 164.3 | -90.5 | 132.6 | 0 | 0 | 0 | 109 | Q286 | Q286-L288 PolarHBondContact O-N 2.83Š|
| 289 | P | 36.6 | Very low | 34.1 | Very low | 113 Ų | 113 | 153.4 Ų | 153.4 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | | | trans | -68 | 140.7 | -171.1 | 25.2 | -32.3 | 0 | 0 | 0 | 112.4 | N291 | P289-N291 VanDerWaalsContact C-N 3.27Å; P289-N291 PolarHBondContact O-N 2.73Å |
| 290 | L | 34.9 | Very low | 34.3 | Very low | 183 Ų | 183 | 155 Ų | 155 | 96% | 0.958 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -66.1 | 72.6 | 176 | -153.8 | 106.6 | 0 | 0 | 0 | 110.7 | | |
| 291 | N | 33.8 | Very low | 34.6 | Very low | 143 Ų | 143 | 154.9 Ų | 154.9 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | | | trans | -155.1 | 70.9 | 175 | -141.1 | -16.4 | 0 | 0 | 0 | 114.1 | P289 | P289-N291 VanDerWaalsContact C-N 3.27Å; P289-N291 PolarHBondContact O-N 2.73Å |
| 292 | K | 39.7 | Very low | 35.1 | Very low | 205 Ų | 205 | 158.8 Ų | 158.8 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | | | trans | -143.1 | 69.9 | 154.6 | -79.5 | -169.3 | 179 | 174 | 0 | 109.4 | V294 | K292-V294 PolarHBondContact O-N 2.84Š|
| 293 | R | 31.9 | Very low | 35.4 | Very low | 240 Ų | 240 | 161.3 Ų | 161.3 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | | | trans | -81.4 | 101.2 | 155.8 | -103.9 | -176 | -168.5 | 173.4 | 4.5 | 106.9 | R295 | R293-R295 PolarHBondContact O-N 2.88Š|
| 294 | V | 34.7 | Very low | 35.5 | Very low | 125 Ų | 125 | 160.4 Ų | 160.4 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | | | trans | -69.9 | 98 | 166.6 | 178.6 | 0 | 0 | 0 | 0 | 107 | K292 L296 | K292-V294 PolarHBondContact O-N 2.84Å; V294-L296 HydrophobicContact CG1-CG 4.46Å |
| 295 | R | 33.7 | Very low | 35.7 | Very low | 220 Ų | 220 | 162.4 Ų | 162.4 | 83% | 0.83 | 81% | 0.81 | S | S | * | * | | | trans | -80.1 | 108.1 | 164.8 | -103.4 | -178.1 | 162.5 | 163.9 | -5.3 | 107 | R293 Q297 | R293-R295 PolarHBondContact O-N 2.88Å; R295-Q297 PolarHBondContact O-N 2.92Å |
| 296 | L | 33.7 | Very low | 35.8 | Very low | 153 Ų | 153 | 161.4 Ų | 161.4 | 80% | 0.801 | 81% | 0.806 | S | S | * | * | | | trans | -75.8 | 96.3 | 161.3 | -71.1 | 168.9 | 0 | 0 | 0 | 107.1 | V294 L298 | V294-L296 HydrophobicContact CG1-CG 4.46Å; L296-L298 PolarHBondContact O-N 2.97Å |
| 297 | Q | 33.1 | Very low | 36.2 | Very low | 173 Ų | 173 | 164.8 Ų | 164.8 | 81% | 0.808 | 83% | 0.83 | S | S | * | * | | | trans | -74.4 | 114.7 | 160 | -82.9 | -177.9 | -29.9 | 0 | 0 | 107.1 | R295 S299 | R295-Q297 PolarHBondContact O-N 2.92Å; Q297-S299 PolarHBondContact O-N 3.07Å |
| 298 | L | 35.8 | Very low | 36.5 | Very low | 157 Ų | 157 | 164.1 Ų | 164.1 | 82% | 0.822 | 82% | 0.824 | S | S | * | * | | | trans | -70.7 | 110.8 | 158.8 | -90.6 | 84.9 | 0 | 0 | 0 | 106.6 | L296 | L296-L298 PolarHBondContact O-N 2.97Š|
| 299 | S | 35.8 | Very low | 36.5 | Very low | 92 Ų | 92 | 164.5 Ų | 164.5 | 64% | 0.643 | 82% | 0.824 | S | S | * | * | | | trans | -77.5 | 114.1 | 167.1 | 50.8 | 0 | 0 | 0 | 0 | 108.9 | Q297 N301 | Q297-S299 PolarHBondContact O-N 3.07Å; S299-N301 VanDerWaalsContact C-N 3.28Å; S299-N301 PolarHBondContact O-N 3.24Å |
| 300 | D | 35.1 | Very low | 36.4 | Very low | 136 Ų | 136 | 167.3 Ų | 167.3 | 73% | 0.727 | 83% | 0.829 | S | S | * | * | | | trans | -70.5 | 83.8 | 166.4 | -72.1 | -34.9 | 0 | 0 | 0 | 109.4 | F302 | D300-F302 PolarHBondContact O-N 2.89Š|
| 301 | N | 39.5 | Very low | 36.5 | Very low | 140 Ų | 140 | 166.4 Ų | 166.4 | 75% | 0.749 | 82% | 0.822 | S | S | * | * | | | trans | -83.1 | 91.2 | 164.9 | -85.7 | -2.9 | 0 | 0 | 0 | 108.7 | S299 I303 | S299-N301 VanDerWaalsContact C-N 3.28Å; S299-N301 PolarHBondContact O-N 3.24Å; N301-I303 PolarHBondContact O-N 3.08Å |
| 302 | F | 38.7 | Very low | 36.7 | Very low | 189 Ų | 189 | 167.9 Ų | 167.9 | 83% | 0.829 | 83% | 0.825 | S | S | * | * | | | trans | -66.5 | 107.4 | 159.1 | -88.4 | -93.9 | 0 | 0 | 0 | 108.6 | D300 N304 | D300-F302 PolarHBondContact O-N 2.89Å; F302-N304 PolarHBondContact O-N 3.14Å |
| 303 | I | 41.1 | Very low | 36.5 | Very low | 147 Ų | 147 | 165.4 Ų | 165.4 | 75% | 0.754 | 82% | 0.821 | S | S | * | * | | | trans | -81.1 | 103.9 | 165.9 | -58.1 | 179.1 | 0 | 0 | 0 | 106.9 | N301 V305 | N301-I303 PolarHBondContact O-N 3.08Å; I303-V305 HydrophobicContact CG2-CG2 3.56Å; I303-V305 PolarHBondContact O-N 3.07Å |
| 304 | N | 36.7 | Very low | 36.8 | Very low | 154 Ų | 154 | 160.1 Ų | 160.1 | 82% | 0.824 | 82% | 0.815 | S | S | * | * | | | trans | -64.4 | 111.2 | 158.6 | -100.6 | -18.4 | 0 | 0 | 0 | 108.1 | F302 | F302-N304 PolarHBondContact O-N 3.14Š|
| 305 | V | 40.1 | Very low | 37 | Very low | 120 Ų | 120 | 162.8 Ų | 162.8 | 73% | 0.727 | 82% | 0.819 | S | S | * | * | | | trans | -117.1 | 87.9 | 158.9 | -172.8 | 0 | 0 | 0 | 0 | 106.9 | I303 | I303-V305 HydrophobicContact CG2-CG2 3.56Å; I303-V305 PolarHBondContact O-N 3.07Å |
| 306 | F | 35 | Very low | 37.3 | Very low | 198 Ų | 198 | 158 Ų | 158 | 87% | 0.868 | 82% | 0.818 | S | S | * | * | | | trans | -125.5 | 107.3 | 154.7 | -98 | -80.4 | 0 | 0 | 0 | 106 | | |
| 307 | N | 42.8 | Very low | 37.6 | Very low | 237 Ų | 237 | 158.5 Ų | 158.5 | 100% | 1.267 | 82% | 0.82 | S | S | * | * | | | trans | -147.7 | 0 | 149.1 | -110.1 | 11.4 | 0 | 0 | 0 | 106.3 | | |