| 1 | M | 44.9 | Very low | 42.7 | Very low | 235 Ų | 235 | 172.9 Ų | 172.9 | 100% | 1.158 | 89% | 0.89 | S | S | * | * | | | | 0 | 83.2 | 0 | -72.9 | 168.9 | 90.2 | 0 | 0 | 110 | | |
| 2 | W | 45.3 | Very low | 42.9 | Very low | 254 Ų | 254 | 167.9 Ų | 167.9 | 96% | 0.962 | 88% | 0.877 | S | S | * | * | | | trans | -129.8 | 40.4 | -168.3 | -78.9 | 55.6 | 0 | 0 | 0 | 112.6 | | |
| 3 | I | 46.3 | Very low | 43.3 | Very low | 158 Ų | 158 | 162.3 Ų | 162.3 | 81% | 0.81 | 87% | 0.87 | S | S | * | * | | | trans | -140.9 | 84.7 | 171.6 | -57 | 173.9 | 0 | 0 | 0 | 108.4 | | |
| 4 | K | 45.5 | Very low | 43.2 | Very low | 213 Ų | 213 | 163.1 Ų | 163.1 | 93% | 0.926 | 87% | 0.873 | S | S | * | * | S | Bend | trans | -156.2 | 22.6 | 159.7 | -121.7 | -179.7 | -177.3 | -175.9 | 0 | 113.9 | | |
| 5 | R | 45.1 | Very low | 43.3 | Very low | 247 Ų | 247 | 167.4 Ų | 167.4 | 93% | 0.932 | 87% | 0.872 | S | S | * | * | | | trans | -135.7 | 25.4 | -177.4 | -119.1 | -177.6 | -160.7 | 177 | 5.6 | 115.9 | | |
| 6 | S | 37.7 | Very low | 43.6 | Very low | 119 Ų | 119 | 165.8 Ų | 165.8 | 83% | 0.832 | 87% | 0.874 | S | S | * | * | | | trans | -114.7 | 47.8 | 179.2 | -38.8 | 0 | 0 | 0 | 0 | 111.9 | | |
| 7 | A | 43 | Very low | 43.9 | Very low | 103 Ų | 103 | 160.2 Ų | 160.2 | 85% | 0.851 | 87% | 0.866 | S | S | * | * | S | Bend | trans | -140.9 | 48 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | | |
| 8 | A | 44.4 | Very low | 44.4 | Very low | 87 Ų | 87 | 155.7 Ų | 155.7 | 72% | 0.719 | 85% | 0.849 | S | S | * | * | S | Bend | trans | -165 | 64.5 | 172 | 0 | 0 | 0 | 0 | 0 | 111.3 | | |
| 9 | R | 45.8 | Very low | 45.2 | Very low | 249 Ų | 249 | 153.2 Ų | 153.2 | 94% | 0.94 | 84% | 0.842 | S | S | * | * | | | trans | 179.1 | 94.4 | 151.5 | -110.2 | 175.5 | -96.6 | -152.2 | -5.1 | 111.4 | | |
| 10 | S | 34 | Very low | 46.2 | Very low | 120 Ų | 120 | 150.7 Ų | 150.7 | 84% | 0.839 | 83% | 0.831 | S | S | * | * | | | trans | 170.7 | 93.6 | 136.2 | 56.4 | 0 | 0 | 0 | 0 | 109.6 | | |
| 11 | S | 37.3 | Very low | 47.1 | Very low | 117 Ų | 117 | 145 Ų | 145 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | | | trans | -75.5 | 164.1 | 148 | -79.3 | 0 | 0 | 0 | 0 | 108.2 | | |
| 12 | P | 45.2 | Very low | 48.3 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | | | cis | -139.2 | 174.8 | 24.6 | 36.6 | -15.1 | 0 | 0 | 0 | 116.4 | L14 | P12-L14 PolarHBondContact O-N 3.16Š|
| 13 | A | 48.8 | Very low | 49.6 | Very low | 95 Ų | 95 | 136 Ų | 136 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | | | trans | -30.5 | 115.1 | 161 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 14 | L | 41.4 | Very low | 51.4 | Low | 174 Ų | 174 | 132.6 Ų | 132.6 | 91% | 0.911 | 75% | 0.752 | S | S | * | * | | | trans | -90.5 | 104.3 | 160.2 | -80.7 | 160 | 0 | 0 | 0 | 107.7 | P12 | P12-L14 PolarHBondContact O-N 3.16Š|
| 15 | R | 45.3 | Very low | 53.1 | Low | 227 Ų | 227 | 131.2 Ų | 131.2 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | | | trans | -59.2 | 148.2 | 165.3 | -76.2 | -151.6 | 173.1 | -162.4 | 1 | 110.2 | G17 | R15-G17 PolarHBondContact O-N 3.49Š|
| 16 | P | 46.9 | Very low | 54.8 | Low | 141 Ų | 141 | 122.8 Ų | 122.8 | 92% | 0.916 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -74.3 | 92.2 | 176.9 | 30.8 | -30.7 | 0 | 0 | 0 | 108.5 | | |
| 17 | G | 50.3 | Low | 57 | Low | 71 Ų | 71 | 122.1 Ų | 122.1 | 73% | 0.732 | 70% | 0.7 | S | S | * | * | | | trans | -162.3 | 46.7 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R15 | R15-G17 PolarHBondContact O-N 3.49Š|
| 18 | S | 52.6 | Low | 58.8 | Low | 79 Ų | 79 | 120.7 Ų | 120.7 | 55% | 0.552 | 68% | 0.678 | S | S | * | * | | | trans | -157.3 | 114.4 | 174.9 | 163.1 | 0 | 0 | 0 | 0 | 109 | V20 G21 | S18-V20 PolarHBondContact O-N 3.25Å; S18-G21 PolarHBondContact O-N 3.5Å |
| 19 | C | 59.7 | Low | 60.7 | Low | 108 Ų | 108 | 119.3 Ų | 119.3 | 73% | 0.73 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -50.4 | -29.7 | 177.8 | -64.5 | 0 | 0 | 0 | 0 | 112.2 | G21 H22 W23 | C19-G21 PolarHBondContact O-N 3.23Å; C19-H22 PolarHBondContact O-N 3.24Å; C19-W23 VanDerWaalsContact O-CD1 3.25Å; C19-W23 PolarHBondContact O-N 3.45Å |
| 20 | V | 64.8 | Low | 62.4 | Low | 103 Ų | 103 | 112.2 Ų | 112.2 | 62% | 0.624 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -68 | -34.7 | -178.9 | -169.7 | 0 | 0 | 0 | 0 | 112.1 | S18 H22 W23 V24 | S18-V20 PolarHBondContact O-N 3.25Å; V20-H22 VanDerWaalsContact C-N 3.32Å; V20-H22 PolarHBondContact O-N 3.34Å; V20-W23 PolarHBondContact O-N 3.02Å; V20-V24 WeakPolarHBondContact O-CG2 3.18Å; V20-V24 PolarHBondContact O-N 3.24Å; V20-V24 VanDerWaalsContact O-N 3.1Å |
| 21 | G | 65.4 | Low | 64.6 | Low | 31 Ų | 31 | 109.8 Ų | 109.8 | 32% | 0.32 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -63.2 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S18 C19 V24 W25 | S18-G21 PolarHBondContact O-N 3.5Å; C19-G21 PolarHBondContact O-N 3.23Å; G21-V24 PolarHBondContact O-N 3.01Å; G21-W25 PolarHBondContact O-N 2.85Å |
| 22 | H | 69.1 | Low | 66.5 | Low | 128 Ų | 128 | 109 Ų | 109 | 59% | 0.593 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.7 | -40.9 | 178.3 | -166.1 | 15 | 0 | 0 | 0 | 111.9 | C19 V20 V24 W25 I26 | C19-H22 PolarHBondContact O-N 3.24Å; V20-H22 VanDerWaalsContact C-N 3.32Å; V20-H22 PolarHBondContact O-N 3.34Å; H22-V24 VanDerWaalsContact C-N 3.32Å; H22-V24 PolarHBondContact O-N 2.85Å; H22-W25 PolarHBondContact O-N 3.14Å; H22-I26 WeakPolarHBondContact O-CB 3.39Å; H22-I26 WeakPolarHBondContact O-CD1 3.43Å; H22-I26 WeakPolarHBondContact O-CG1 3.41Å; H22-I26 PolarHBondContact O-N 3.34Å |
| 23 | W | 73.4 | Confident | 67.8 | Low | 173 Ų | 173 | 107.6 Ų | 107.6 | 66% | 0.655 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -61.1 | -39.6 | 174.5 | -82.1 | 91.5 | 0 | 0 | 0 | 112.4 | C19 V20 I26 L27 | C19-W23 VanDerWaalsContact O-CD1 3.25Å; C19-W23 PolarHBondContact O-N 3.45Å; V20-W23 PolarHBondContact O-N 3.02Å; W23-I26 PolarHBondContact O-N 3.02Å; W23-L27 WeakPolarHBondContact O-CB 3.37Å; W23-L27 VanDerWaalsContact O-CG 3.23Å; W23-L27 WeakPolarHBondContact O-CG 3.44Å; W23-L27 PolarHBondContact O-N 2.73Å |
| 24 | V | 83 | Confident | 68.7 | Low | 87 Ų | 87 | 107 Ų | 107 | 53% | 0.527 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.8 | -41.5 | 174.9 | 175.4 | 0 | 0 | 0 | 0 | 111.2 | V20 G21 H22 L27 L28 | V20-V24 WeakPolarHBondContact O-CG2 3.18Å; V20-V24 PolarHBondContact O-N 3.24Å; V20-V24 VanDerWaalsContact O-N 3.1Å; G21-V24 PolarHBondContact O-N 3.01Å; H22-V24 VanDerWaalsContact C-N 3.32Å; H22-V24 PolarHBondContact O-N 2.85Å; V24-L27 PolarHBondContact O-N 3.28Å; V24-L28 VanDerWaalsContact O-CB 3.22Å; V24-L28 WeakPolarHBondContact O-CB 3.23Å; V24-L28 PolarHBondContact O-N 3.49Å |
| 25 | W | 82.3 | Confident | 70.2 | Confident | 183 Ų | 183 | 103.6 Ų | 103.6 | 69% | 0.693 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -66.4 | -37.4 | 175.1 | -76.6 | 111.1 | 0 | 0 | 0 | 113 | G21 H22 L28 A29 | G21-W25 PolarHBondContact O-N 2.85Å; H22-W25 PolarHBondContact O-N 3.14Å; W25-L28 HydrophobicContact CE3-CD2 4.1Å; W25-L28 HydrophobicContact CZ3-CD2 4.05Å; W25-L28 PolarHBondContact O-N 3.44Å; W25-A29 VanDerWaalsContact O-CB 3.25Å; W25-A29 WeakPolarHBondContact O-CB 3.27Å; W25-A29 PolarHBondContact O-N 3.39Å |
| 26 | I | 81 | Confident | 70.6 | Confident | 70 Ų | 70 | 97.9 Ų | 97.9 | 36% | 0.359 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66 | -47 | 174.8 | -68.3 | 160.7 | 0 | 0 | 0 | 109.9 | H22 W23 L28 A29 M30 | H22-I26 WeakPolarHBondContact O-CB 3.39Å; H22-I26 WeakPolarHBondContact O-CD1 3.43Å; H22-I26 WeakPolarHBondContact O-CG1 3.41Å; H22-I26 PolarHBondContact O-N 3.34Å; W23-I26 PolarHBondContact O-N 3.02Å; I26-L28 VanDerWaalsContact C-N 3.31Å; I26-L28 PolarHBondContact O-N 2.86Å; I26-A29 PolarHBondContact O-N 2.82Å; I26-M30 HydrophobicContact CG2-CG 4.3Å; I26-M30 WeakPolarHBondContact O-CB 3.22Å; I26-M30 VanDerWaalsContact O-CG 3.25Å; I26-M30 WeakPolarHBondContact O-CG 3.36Å; I26-M30 PolarHBondContact O-N 3.44Å |
| 27 | L | 83 | Confident | 70.9 | Confident | 106 Ų | 106 | 97.6 Ų | 97.6 | 56% | 0.555 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.6 | -42.3 | 177.1 | -72.9 | 170.5 | 0 | 0 | 0 | 111.1 | W23 V24 M30 T31 | W23-L27 WeakPolarHBondContact O-CB 3.37Å; W23-L27 VanDerWaalsContact O-CG 3.23Å; W23-L27 WeakPolarHBondContact O-CG 3.44Å; W23-L27 PolarHBondContact O-N 2.73Å; V24-L27 PolarHBondContact O-N 3.28Å; L27-M30 PolarHBondContact O-N 2.86Å; L27-T31 WeakPolarHBondContact O-CG2 3.21Å; L27-T31 PolarHBondContact O-N 3.1Å; L27-T31 PolarHBondContact O-OG1 3.44Å |
| 28 | L | 81.9 | Confident | 70.9 | Confident | 72 Ų | 72 | 97.8 Ų | 97.8 | 38% | 0.377 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63 | -45.4 | 176.4 | -169.9 | 64.5 | 0 | 0 | 0 | 111 | V24 W25 I26 M30 T31 H32 | V24-L28 VanDerWaalsContact O-CB 3.22Å; V24-L28 WeakPolarHBondContact O-CB 3.23Å; V24-L28 PolarHBondContact O-N 3.49Å; W25-L28 HydrophobicContact CE3-CD2 4.1Å; W25-L28 HydrophobicContact CZ3-CD2 4.05Å; W25-L28 PolarHBondContact O-N 3.44Å; I26-L28 VanDerWaalsContact C-N 3.31Å; I26-L28 PolarHBondContact O-N 2.86Å; L28-M30 PolarHBondContact O-N 3.28Å; L28-T31 VanDerWaalsContact CA-OG1 3.27Å; L28-T31 WeakPolarHBondContact CA-OG1 3.48Å; L28-T31 PolarHBondContact O-N 3.35Å; L28-T31 PolarHBondContact O-OG1 3.31Å; L28-H32 PolarHBondContact O-CD2 3.29Å; L28-H32 PolarHBondContact O-N 3.2Å |
| 29 | A | 83.4 | Confident | 70.8 | Confident | 58 Ų | 58 | 99.9 Ų | 99.9 | 48% | 0.479 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | W25 I26 H32 L33 | W25-A29 VanDerWaalsContact O-CB 3.25Å; W25-A29 WeakPolarHBondContact O-CB 3.27Å; W25-A29 PolarHBondContact O-N 3.39Å; I26-A29 PolarHBondContact O-N 2.82Å; A29-H32 PolarHBondContact O-N 2.99Å; A29-L33 VanDerWaalsContact O-CB 3.3Å; A29-L33 WeakPolarHBondContact O-CB 3.43Å; A29-L33 PolarHBondContact O-N 3.46Å |
| 30 | M | 82.1 | Confident | 69.9 | Low | 101 Ų | 101 | 99.1 Ų | 99.1 | 50% | 0.498 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66.4 | -37 | 175.9 | -70.6 | -60 | -66.6 | 0 | 0 | 112 | I26 L27 L28 L33 T34 | I26-M30 HydrophobicContact CG2-CG 4.3Å; I26-M30 WeakPolarHBondContact O-CB 3.22Å; I26-M30 VanDerWaalsContact O-CG 3.25Å; I26-M30 WeakPolarHBondContact O-CG 3.36Å; I26-M30 PolarHBondContact O-N 3.44Å; L27-M30 PolarHBondContact O-N 2.86Å; L28-M30 PolarHBondContact O-N 3.28Å; M30-L33 PolarHBondContact O-N 3Å; M30-L33 HydrophobicContact SD-CD2 4.4Å; M30-T34 WeakPolarHBondContact O-CB 3.32Å; M30-T34 WeakPolarHBondContact O-CG2 3.46Å; M30-T34 PolarHBondContact O-N 2.94Å; M30-T34 PolarHBondContact O-OG1 3.5Å |
| 31 | T | 80.3 | Confident | 68.6 | Low | 68 Ų | 68 | 99.1 Ų | 99.1 | 42% | 0.417 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 173.2 | 47.6 | 0 | 0 | 0 | 0 | 112.2 | L27 L28 T34 L35 | L27-T31 WeakPolarHBondContact O-CG2 3.21Å; L27-T31 PolarHBondContact O-N 3.1Å; L27-T31 PolarHBondContact O-OG1 3.44Å; L28-T31 VanDerWaalsContact CA-OG1 3.27Å; L28-T31 WeakPolarHBondContact CA-OG1 3.48Å; L28-T31 PolarHBondContact O-N 3.35Å; L28-T31 PolarHBondContact O-OG1 3.31Å; T31-T34 WeakPolarHBondContact CA-OG1 3.47Å; T31-T34 PolarHBondContact O-N 3.28Å; T31-T34 PolarHBondContact O-OG1 3.21Å; T31-L35 WeakPolarHBondContact O-CB 3.37Å; T31-L35 WeakPolarHBondContact O-CG 3.3Å; T31-L35 PolarHBondContact O-N 2.7Å |
| 32 | H | 77.1 | Confident | 67.3 | Low | 100 Ų | 100 | 103 Ų | 103 | 46% | 0.463 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.7 | -43.9 | 174.3 | -77.4 | -66.6 | 0 | 0 | 0 | 111.4 | L28 A29 T34 L35 D36 | L28-H32 PolarHBondContact O-CD2 3.29Å; L28-H32 PolarHBondContact O-N 3.2Å; A29-H32 PolarHBondContact O-N 2.99Å; H32-T34 PolarHBondContact O-N 3.24Å; H32-L35 PolarHBondContact O-N 2.95Å; H32-D36 WeakPolarHBondContact O-CB 3.46Å; H32-D36 PolarHBondContact O-N 3.14Å |
| 33 | L | 71.6 | Confident | 66.2 | Low | 85 Ų | 85 | 105.2 Ų | 105.2 | 45% | 0.445 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -59.4 | -46 | 176.6 | -165.4 | 82.7 | 0 | 0 | 0 | 112.1 | A29 M30 D36 F37 | A29-L33 VanDerWaalsContact O-CB 3.3Å; A29-L33 WeakPolarHBondContact O-CB 3.43Å; A29-L33 PolarHBondContact O-N 3.46Å; M30-L33 PolarHBondContact O-N 3Å; M30-L33 HydrophobicContact SD-CD2 4.4Å; L33-D36 PolarHBondContact O-N 3.36Å; L33-F37 HydrophobicContact CD1-CD2 4.48Å; L33-F37 HydrophobicContact CD1-CE2 3.86Å; L33-F37 HydrophobicContact CD2-CD2 4.41Å; L33-F37 HydrophobicContact CD2-CE2 3.97Å; L33-F37 HydrophobicContact CG-CD2 3.85Å; L33-F37 HydrophobicContact CG-CE2 3.57Å; L33-F37 WeakPolarHBondContact O-CD2 3.42Å; L33-F37 PolarHBondContact O-N 2.88Å |
| 34 | T | 68.8 | Low | 64.3 | Low | 81 Ų | 81 | 101.9 Ų | 101.9 | 50% | 0.497 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.9 | -34.8 | 179.1 | 48.6 | 0 | 0 | 0 | 0 | 112.9 | M30 T31 H32 S38 | M30-T34 WeakPolarHBondContact O-CB 3.32Å; M30-T34 WeakPolarHBondContact O-CG2 3.46Å; M30-T34 PolarHBondContact O-N 2.94Å; M30-T34 PolarHBondContact O-OG1 3.5Å; T31-T34 WeakPolarHBondContact CA-OG1 3.47Å; T31-T34 PolarHBondContact O-N 3.28Å; T31-T34 PolarHBondContact O-OG1 3.21Å; H32-T34 PolarHBondContact O-N 3.24Å; T34-S38 WeakPolarHBondContact O-CB 3.25Å; T34-S38 PolarHBondContact O-N 2.97Å |
| 35 | L | 71.2 | Confident | 62.4 | Low | 103 Ų | 103 | 103.7 Ų | 103.7 | 54% | 0.539 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67.1 | -42.1 | 172.9 | -71 | 171.2 | 0 | 0 | 0 | 111.2 | T31 H32 F37 S38 V39 | T31-L35 WeakPolarHBondContact O-CB 3.37Å; T31-L35 WeakPolarHBondContact O-CG 3.3Å; T31-L35 PolarHBondContact O-N 2.7Å; H32-L35 PolarHBondContact O-N 2.95Å; L35-F37 VanDerWaalsContact C-N 3.34Å; L35-F37 PolarHBondContact O-N 3.28Å; L35-S38 PolarHBondContact O-N 3.43Å; L35-S38 VanDerWaalsContact O-N 3.14Å; L35-S38 PolarHBondContact O-OG 3.47Å; L35-V39 WeakPolarHBondContact O-CG2 3.41Å; L35-V39 PolarHBondContact O-N 2.92Å |
| 36 | D | 54.8 | Low | 60.3 | Low | 108 Ų | 108 | 98.3 Ų | 98.3 | 58% | 0.578 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -66.1 | -34.9 | 177.1 | -68.2 | -31 | 0 | 0 | 0 | 112.2 | H32 L33 C40 | H32-D36 WeakPolarHBondContact O-CB 3.46Å; H32-D36 PolarHBondContact O-N 3.14Å; L33-D36 PolarHBondContact O-N 3.36Å; D36-C40 PolarHBondContact O-N 2.86Å |
| 37 | F | 52.8 | Low | 58.2 | Low | 134 Ų | 134 | 102.5 Ų | 102.5 | 59% | 0.588 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.7 | -29.2 | 171.5 | -79.2 | -64 | 0 | 0 | 0 | 113.4 | L33 L35 V39 C40 | L33-F37 HydrophobicContact CD1-CD2 4.48Å; L33-F37 HydrophobicContact CD1-CE2 3.86Å; L33-F37 HydrophobicContact CD2-CD2 4.41Å; L33-F37 HydrophobicContact CD2-CE2 3.97Å; L33-F37 HydrophobicContact CG-CD2 3.85Å; L33-F37 HydrophobicContact CG-CE2 3.57Å; L33-F37 WeakPolarHBondContact O-CD2 3.42Å; L33-F37 PolarHBondContact O-N 2.88Å; L35-F37 VanDerWaalsContact C-N 3.34Å; L35-F37 PolarHBondContact O-N 3.28Å; F37-V39 VanDerWaalsContact C-N 3.31Å; F37-V39 PolarHBondContact O-N 3.49Å; F37-C40 CarbonylContact O-C 3.44Å; F37-C40 PolarHBondContact O-N 2.89Å |
| 38 | S | 51.5 | Low | 56.5 | Low | 75 Ų | 75 | 101.1 Ų | 101.1 | 52% | 0.524 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -70.6 | -27.9 | 176.5 | 77.6 | 0 | 0 | 0 | 0 | 113.1 | T34 L35 | T34-S38 WeakPolarHBondContact O-CB 3.25Å; T34-S38 PolarHBondContact O-N 2.97Å; L35-S38 PolarHBondContact O-N 3.43Å; L35-S38 VanDerWaalsContact O-N 3.14Å; L35-S38 PolarHBondContact O-OG 3.47Å |
| 39 | V | 48.9 | Very low | 54.5 | Low | 123 Ų | 123 | 104.2 Ų | 104.2 | 75% | 0.745 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -82.4 | -20.7 | 176.5 | 179.7 | 0 | 0 | 0 | 0 | 111.8 | L35 F37 | L35-V39 WeakPolarHBondContact O-CG2 3.41Å; L35-V39 PolarHBondContact O-N 2.92Å; F37-V39 VanDerWaalsContact C-N 3.31Å; F37-V39 PolarHBondContact O-N 3.49Å |
| 40 | C | 42.3 | Very low | 52.8 | Low | 93 Ų | 93 | 110.9 Ų | 110.9 | 63% | 0.628 | 65% | 0.654 | S | S | * | * | | | trans | -100.5 | 64.5 | 171.1 | -79.2 | 0 | 0 | 0 | 0 | 111.4 | D36 F37 P42 | D36-C40 PolarHBondContact O-N 2.86Å; F37-C40 CarbonylContact O-C 3.44Å; F37-C40 PolarHBondContact O-N 2.89Å; C40-P42 WeakPolarHBondContact O-CD 3.25Å |
| 41 | S | 36.6 | Very low | 50.8 | Low | 103 Ų | 103 | 113.5 Ų | 113.5 | 72% | 0.72 | 67% | 0.669 | S | S | * | * | | | trans | -75.6 | 113.6 | 156.4 | -84.6 | 0 | 0 | 0 | 0 | 108.9 | L43 | S41-L43 PolarHBondContact O-N 2.82Š|
| 42 | P | 38.8 | Very low | 49 | Very low | 113 Ų | 113 | 116.6 Ų | 116.6 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | | | trans | -70.2 | 115.3 | 164.2 | 29.3 | -30 | 0 | 0 | 0 | 107.4 | C40 S44 | C40-P42 WeakPolarHBondContact O-CD 3.25Å; P42-S44 PolarHBondContact O-N 3.33Å |
| 43 | L | 45 | Very low | 47.2 | Very low | 174 Ų | 174 | 117.4 Ų | 117.4 | 91% | 0.911 | 70% | 0.702 | S | S | * | * | | | trans | -60.4 | 92.3 | 159.9 | -159.9 | 75.9 | 0 | 0 | 0 | 106.6 | S41 P45 | S41-L43 PolarHBondContact O-N 2.82Å; L43-P45 VanDerWaalsContact O-CD 3.31Å; L43-P45 WeakPolarHBondContact O-CD 3.21Å |
| 44 | S | 33.5 | Very low | 45.6 | Very low | 102 Ų | 102 | 122.8 Ų | 122.8 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | | | trans | -83.3 | 116.8 | 177.6 | -164.5 | 0 | 0 | 0 | 0 | 108.5 | P42 G46 | P42-S44 PolarHBondContact O-N 3.33Å; S44-G46 PolarHBondContact O-N 3.49Å |
| 45 | P | 43.9 | Very low | 43.8 | Very low | 125 Ų | 125 | 127.1 Ų | 127.1 | 81% | 0.812 | 74% | 0.741 | S | S | * | * | | | trans | -78.6 | 111.1 | 170.1 | 29.8 | -28.2 | 0 | 0 | 0 | 109.1 | L43 | L43-P45 VanDerWaalsContact O-CD 3.31Å; L43-P45 WeakPolarHBondContact O-CD 3.21Å |
| 46 | G | 38.1 | Very low | 42 | Very low | 71 Ų | 71 | 127.8 Ų | 127.8 | 73% | 0.732 | 75% | 0.749 | S | S | * | * | | | trans | 86.5 | 102.6 | 153.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | S44 | S44-G46 PolarHBondContact O-N 3.49Š|
| 47 | L | 36.2 | Very low | 41 | Very low | 158 Ų | 158 | 127.2 Ų | 127.2 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | | | | -162.8 | 119.7 | 120 | -163 | 59.2 | 0 | 0 | 0 | 109 | I49 | L47-I49 PolarHBondContact O-N 3.06Š|
| 48 | G | 46.8 | Very low | 40.1 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 78% | 0.775 | S | S | * | * | | | trans | -67 | 116 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | | |
| 49 | I | 40.5 | Very low | 39.2 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 71% | 0.708 | 79% | 0.788 | S | S | * | * | | | trans | -137.8 | 108.2 | 156.1 | -48.7 | 176.9 | 0 | 0 | 0 | 107.6 | L47 L51 | L47-I49 PolarHBondContact O-N 3.06Å; I49-L51 PolarHBondContact O-N 3.28Å |
| 50 | K | 47.6 | Very low | 38.2 | Very low | 198 Ų | 198 | 140.1 Ų | 140.1 | 86% | 0.861 | 80% | 0.797 | S | S | * | * | | | trans | -66.8 | 99.9 | 177.9 | -178.3 | -174.4 | -177.4 | -177.3 | 0 | 109.8 | | |
| 51 | L | 40.8 | Very low | 38.1 | Very low | 156 Ų | 156 | 140.4 Ų | 140.4 | 82% | 0.817 | 80% | 0.797 | S | S | * | * | | | trans | -142.1 | 91.3 | 161.6 | -72.6 | 177.2 | 0 | 0 | 0 | 110.3 | I49 P53 | I49-L51 PolarHBondContact O-N 3.28Å; L51-P53 WeakPolarHBondContact O-CD 3.35Å |
| 52 | T | 41.9 | Very low | 37.7 | Very low | 133 Ų | 133 | 147.3 Ų | 147.3 | 82% | 0.816 | 81% | 0.808 | S | S | * | * | | | trans | -72.7 | 125 | 163.1 | 44.1 | 0 | 0 | 0 | 0 | 110.3 | | |
| 53 | P | 39.7 | Very low | 37.4 | Very low | 116 Ų | 116 | 149.8 Ų | 149.8 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | | | trans | -100.4 | 106.6 | 155.1 | 29.8 | -16.5 | 0 | 0 | 0 | 108.7 | L51 L55 | L51-P53 WeakPolarHBondContact O-CD 3.35Å; P53-L55 PolarHBondContact O-N 2.85Å |
| 54 | K | 38.4 | Very low | 36.8 | Very low | 199 Ų | 199 | 150 Ų | 150 | 87% | 0.865 | 81% | 0.81 | S | S | * | * | | | trans | -72 | 101.8 | 172.1 | -158 | 176.8 | -170 | 174.8 | 0 | 107.5 | | |
| 55 | L | 31.3 | Very low | 37.3 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | | | trans | -99.2 | 118.5 | 168 | -90.2 | 160.5 | 0 | 0 | 0 | 109.8 | P53 A57 | P53-L55 PolarHBondContact O-N 2.85Å; L55-A57 PolarHBondContact O-N 3.25Å |
| 56 | V | 32.7 | Very low | 36.9 | Very low | 118 Ų | 118 | 150.2 Ų | 150.2 | 72% | 0.715 | 80% | 0.802 | S | S | * | * | | | trans | -67.5 | 116.3 | -172.7 | 172.3 | 0 | 0 | 0 | 0 | 110.8 | R58 | V56-R58 HydrophobicContact CG1-CG 4.47Š|
| 57 | A | 33.1 | Very low | 36.8 | Very low | 95 Ų | 95 | 157.3 Ų | 157.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | | | trans | -85.5 | 108.3 | 158.8 | 0 | 0 | 0 | 0 | 0 | 108.3 | L55 S59 | L55-A57 PolarHBondContact O-N 3.25Å; A57-S59 PolarHBondContact O-N 2.84Å |
| 58 | R | 34 | Very low | 36.6 | Very low | 245 Ų | 245 | 156 Ų | 156 | 93% | 0.925 | 80% | 0.801 | S | S | * | * | | | trans | -62.4 | 118.7 | 171 | -84.5 | 179.9 | -98.8 | -167.7 | -6.8 | 109.5 | V56 | V56-R58 HydrophobicContact CG1-CG 4.47Š|
| 59 | S | 33.6 | Very low | 36 | Very low | 116 Ų | 116 | 161.1 Ų | 161.1 | 81% | 0.811 | 81% | 0.807 | S | S | * | * | | | trans | -122.2 | 127.2 | 162.3 | 56.5 | 0 | 0 | 0 | 0 | 108.9 | A57 | A57-S59 PolarHBondContact O-N 2.84Š|
| 60 | W | 27.7 | Very low | 36.1 | Very low | 243 Ų | 243 | 159.8 Ų | 159.8 | 92% | 0.92 | 81% | 0.807 | S | S | * | * | | | trans | -156 | 162.4 | 163.7 | -148.1 | -12.6 | 0 | 0 | 0 | 109.8 | | |
| 61 | P | 39.8 | Very low | 35.3 | Very low | 99 Ų | 99 | 156.2 Ų | 156.2 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | | | | -104.6 | 162.9 | -84.7 | 27.9 | -16.1 | 0 | 0 | 0 | 112.8 | | |
| 62 | R | 29.3 | Very low | 34.9 | Very low | 248 Ų | 248 | 156.6 Ų | 156.6 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | | | trans | -123.3 | 133.8 | 144.5 | -146.1 | 176.8 | -150.2 | -124.1 | 3.8 | 109 | | |
| 63 | L | 31.3 | Very low | 35 | Very low | 165 Ų | 165 | 158 Ų | 158 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | | | trans | -53.2 | 139.5 | -168.3 | -73.4 | 86.7 | 0 | 0 | 0 | 114 | | |
| 64 | Q | 33.3 | Very low | 34.9 | Very low | 179 Ų | 179 | 160.2 Ų | 160.2 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | | | trans | -50.6 | 164.6 | 156.5 | -112.9 | 178.3 | -19.3 | 0 | 0 | 111.8 | | |
| 65 | P | 42.7 | Very low | 35.1 | Very low | 115 Ų | 115 | 162.6 Ų | 162.6 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | | | | -152.7 | 162.1 | 57.9 | 40.4 | -19 | 0 | 0 | 0 | 118.3 | | |
| 66 | L | 37.2 | Very low | 35.6 | Very low | 115 Ų | 115 | 164.5 Ų | 164.5 | 60% | 0.602 | 79% | 0.793 | S | S | * | * | | | trans | 59.5 | 114.1 | 139.3 | -163 | 70.6 | 0 | 0 | 0 | 116.8 | | |
| 67 | W | 35.1 | Very low | 35.9 | Very low | 221 Ų | 221 | 164.9 Ų | 164.9 | 84% | 0.837 | 80% | 0.796 | S | S | * | * | | | | 179.4 | 140.9 | 115.6 | -83.8 | 108.9 | 0 | 0 | 0 | 109 | | |
| 68 | D | 31.7 | Very low | 36.2 | Very low | 130 Ų | 130 | 167.5 Ų | 167.5 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | | | trans | -56 | 152.1 | -169.4 | -67.6 | -63 | 0 | 0 | 0 | 115.7 | P70 | D68-P70 WeakPolarHBondContact O-CD 3.11Š|
| 69 | M | 35.4 | Very low | 36.3 | Very low | 184 Ų | 184 | 158.4 Ų | 158.4 | 91% | 0.906 | 78% | 0.784 | S | S | * | * | | | trans | -71.6 | 131.8 | 163.4 | -174.2 | 147.9 | 58.9 | 0 | 0 | 109.7 | | |
| 70 | P | 42.3 | Very low | 37.2 | Very low | 110 Ų | 110 | 159.2 Ų | 159.2 | 71% | 0.714 | 79% | 0.787 | S | S | * | * | | | | -135.1 | 132.2 | 129.9 | 32.5 | -18.3 | 0 | 0 | 0 | 112.7 | D68 | D68-P70 WeakPolarHBondContact O-CD 3.11Š|
| 71 | N | 30.1 | Very low | 38 | Very low | 122 Ų | 122 | 155.8 Ų | 155.8 | 65% | 0.652 | 79% | 0.785 | S | S | * | * | | | | 54.1 | 115.7 | 124.2 | -126.3 | 6.8 | 0 | 0 | 0 | 119.5 | | |
| 72 | K | 32.8 | Very low | 38.1 | Very low | 165 Ų | 165 | 156 Ų | 156 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | | | trans | 60.8 | 121.6 | 132.8 | -72.9 | 175.3 | -169.6 | -168.7 | 0 | 119.1 | | |
| 73 | L | 43.2 | Very low | 38.6 | Very low | 162 Ų | 162 | 156.2 Ų | 156.2 | 85% | 0.848 | 80% | 0.797 | S | S | * | * | | | trans | 54.8 | 97.3 | 134.4 | -68.6 | 155.9 | 0 | 0 | 0 | 116.3 | | |
| 74 | H | 38.8 | Very low | 39 | Very low | 163 Ų | 163 | 159.7 Ų | 159.7 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | | | | -169.5 | 92 | 123.5 | -154.6 | 65.6 | 0 | 0 | 0 | 111.2 | R76 | H74-R76 PolarHBondContact CD2-O 3.2Å; H74-R76 PolarHBondContact O-N 3.08Å |
| 75 | W | 41.4 | Very low | 39.5 | Very low | 249 Ų | 249 | 159.1 Ų | 159.1 | 94% | 0.943 | 80% | 0.8 | S | S | * | * | | | trans | -69.5 | 108.4 | 152.8 | -76.3 | 95.4 | 0 | 0 | 0 | 108 | | |
| 76 | R | 41.4 | Very low | 39.2 | Very low | 210 Ų | 210 | 161.5 Ų | 161.5 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | | | trans | 161 | 117.8 | 142.1 | -94.7 | -175.3 | -90.1 | -155.3 | -0.6 | 108 | H74 | H74-R76 PolarHBondContact CD2-O 3.2Å; H74-R76 PolarHBondContact O-N 3.08Å |
| 77 | T | 40.9 | Very low | 38.9 | Very low | 127 Ų | 127 | 164.9 Ų | 164.9 | 78% | 0.779 | 82% | 0.818 | S | S | * | * | | | | 169.5 | 141.4 | 126.5 | -62.5 | 0 | 0 | 0 | 0 | 108.4 | | |
| 78 | V | 39.3 | Very low | 39.2 | Very low | 149 Ų | 149 | 160.7 Ų | 160.7 | 90% | 0.903 | 82% | 0.819 | S | S | * | * | | | trans | 74.5 | 124.4 | 177.6 | -154.8 | 0 | 0 | 0 | 0 | 113.7 | | |
| 79 | G | 35.8 | Very low | 39.6 | Very low | 55 Ų | 55 | 160.3 Ų | 160.3 | 57% | 0.567 | 82% | 0.821 | S | S | * | * | | | cis | 154.7 | 151.4 | 15.6 | 0 | 0 | 0 | 0 | 0 | 106.2 | L81 | G79-L81 PolarHBondContact O-N 3.36Å; G79-L81 VanDerWaalsContact O-N 3.16Å |
| 80 | P | 50.9 | Low | 39.8 | Very low | 133 Ų | 133 | 157.1 Ų | 157.1 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | | | trans | -85.7 | 94.2 | -161.8 | 33.8 | -31.8 | 0 | 0 | 0 | 111.6 | | |
| 81 | L | 45.6 | Very low | 40 | Very low | 170 Ų | 170 | 157.6 Ų | 157.6 | 89% | 0.89 | 82% | 0.817 | S | S | * | * | | | trans | -143.1 | 20.4 | 178.4 | -109 | 134.7 | 0 | 0 | 0 | 115.3 | G79 | G79-L81 PolarHBondContact O-N 3.36Å; G79-L81 VanDerWaalsContact O-N 3.16Å |
| 82 | A | 41.3 | Very low | 40.7 | Very low | 104 Ų | 104 | 157.4 Ų | 157.4 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | | | trans | -120.8 | 29.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | | |
| 83 | R | 40 | Very low | 40.8 | Very low | 253 Ų | 253 | 159 Ų | 159 | 96% | 0.955 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -117.6 | 38.7 | 173.3 | -79.1 | -161.8 | -179.4 | -167.2 | 2.2 | 113.6 | | |
| 84 | R | 39.5 | Very low | 40.5 | Very low | 237 Ų | 237 | 159.5 Ų | 159.5 | 89% | 0.894 | 83% | 0.831 | S | S | * | * | S | Bend | trans | -139.4 | 23.6 | -178.6 | -131.7 | -175.3 | -152.5 | -143.8 | 5.9 | 117.2 | | |
| 85 | L | 43.5 | Very low | 40.1 | Very low | 167 Ų | 167 | 159.1 Ų | 159.1 | 87% | 0.874 | 83% | 0.834 | S | S | * | * | S | Bend | trans | -143.9 | 128.6 | 166.7 | -68.9 | 171.3 | 0 | 0 | 0 | 108.3 | | |
| 86 | L | 37 | Very low | 39.7 | Very low | 166 Ų | 166 | 158.5 Ų | 158.5 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | S | Bend | trans | 99.2 | 51.9 | 177.3 | -51.3 | 165.3 | 0 | 0 | 0 | 117.6 | | |
| 87 | H | 31.6 | Very low | 39.3 | Very low | 186 Ų | 186 | 153.4 Ų | 153.4 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | | | trans | -147.5 | 123.4 | 143.7 | -78.4 | -67.8 | 0 | 0 | 0 | 109.7 | | |
| 88 | P | 41.1 | Very low | 38.8 | Very low | 132 Ų | 132 | 150.6 Ų | 150.6 | 86% | 0.857 | 83% | 0.831 | S | S | * | * | | | trans | -89.6 | 105 | 168.5 | 31.8 | -24.6 | 0 | 0 | 0 | 109.6 | | |
| 89 | V | 38.9 | Very low | 38.5 | Very low | 123 Ų | 123 | 153.4 Ų | 153.4 | 75% | 0.745 | 84% | 0.837 | S | S | * | * | | | trans | -129.8 | 130.2 | 162.8 | 178.1 | 0 | 0 | 0 | 0 | 106.5 | | |
| 90 | P | 40.5 | Very low | 38.2 | Very low | 116 Ų | 116 | 154.2 Ų | 154.2 | 75% | 0.753 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -74 | 143.5 | -171.6 | 28.9 | -33.7 | 0 | 0 | 0 | 112.3 | | |
| 91 | P | 46.5 | Very low | 37.4 | Very low | 120 Ų | 120 | 156.4 Ų | 156.4 | 78% | 0.779 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 155.8 | 173.9 | 32.3 | -32.7 | 0 | 0 | 0 | 113.1 | | |
| 92 | P | 44 | Very low | 37.3 | Very low | 119 Ų | 119 | 158 Ų | 158 | 77% | 0.773 | 85% | 0.848 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 153.3 | -178.2 | 35.9 | -32.8 | 0 | 0 | 0 | 112.3 | | |
| 93 | Q | 35.8 | Very low | 37 | Very low | 197 Ų | 197 | 158.4 Ų | 158.4 | 92% | 0.921 | 85% | 0.845 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 120.6 | 171.8 | -164.8 | 174.5 | 27.2 | 0 | 0 | 109.2 | | |
| 94 | E | 36 | Very low | 37 | Very low | 174 Ų | 174 | 156.5 Ų | 156.5 | 81% | 0.813 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 137.5 | 174.9 | -69.3 | 179.7 | 155.6 | 0 | 0 | 111.1 | | |
| 95 | N | 31.5 | Very low | 36.6 | Very low | 155 Ų | 155 | 148.8 Ų | 148.8 | 83% | 0.829 | 84% | 0.837 | S | S | * | * | | | trans | -165.7 | 118.9 | 134.1 | -95.4 | -37.9 | 0 | 0 | 0 | 112.7 | | |
| 96 | R | 33 | Very low | 36.4 | Very low | 235 Ų | 235 | 149.1 Ų | 149.1 | 89% | 0.887 | 83% | 0.834 | S | S | * | * | | | trans | 69.6 | 122.5 | 148.7 | -81.8 | -176.6 | 176.1 | -177.6 | -1 | 122.1 | | |
| 97 | A | 31.9 | Very low | 36.3 | Very low | 104 Ų | 104 | 150 Ų | 150 | 86% | 0.86 | 84% | 0.836 | S | S | * | * | | | trans | 65.7 | 120.6 | 141.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | | |
| 98 | G | 30.7 | Very low | 36.6 | Very low | 68 Ų | 68 | 149 Ų | 149 | 70% | 0.701 | 83% | 0.832 | S | S | * | * | | | cis | 124.8 | 123.5 | 30.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | | |
| 99 | M | 32.4 | Very low | 36.3 | Very low | 208 Ų | 208 | 154.4 Ų | 154.4 | 100% | 1.025 | 84% | 0.835 | S | S | * | * | | | trans | 72.2 | 135.9 | 175.7 | -49.3 | 175.8 | -178.9 | 0 | 0 | 114.3 | | |
| 100 | G | 30 | Very low | 36.2 | Very low | 71 Ų | 71 | 157.9 Ų | 157.9 | 73% | 0.732 | 84% | 0.84 | S | S | * | * | | | cis | 160.8 | 144.4 | 6.4 | 0 | 0 | 0 | 0 | 0 | 108.2 | | |
| 101 | L | 35 | Very low | 36 | Very low | 180 Ų | 180 | 160.3 Ų | 160.3 | 94% | 0.942 | 85% | 0.846 | S | S | * | * | | | trans | 72.7 | 131 | 148.4 | -137.4 | 69.8 | 0 | 0 | 0 | 121.5 | | |
| 102 | K | 42.4 | Very low | 35.5 | Very low | 202 Ų | 202 | 157.7 Ų | 157.7 | 88% | 0.878 | 84% | 0.835 | S | S | * | * | | | trans | -60.9 | 143.3 | 167.2 | -62.9 | -174.6 | 173.2 | -176.1 | 0 | 111.9 | | |
| 103 | S | 36.7 | Very low | 35 | Very low | 114 Ų | 114 | 160.9 Ų | 160.9 | 80% | 0.797 | 84% | 0.839 | S | S | * | * | | | trans | -149.2 | 106 | 149.5 | 64.3 | 0 | 0 | 0 | 0 | 112.7 | | |
| 104 | K | 37.9 | Very low | 34.8 | Very low | 213 Ų | 213 | 163.5 Ų | 163.5 | 93% | 0.926 | 84% | 0.84 | S | S | * | * | | | trans | -4 | 136.9 | 135.7 | -159.8 | 172.3 | -173.7 | 179.4 | 0 | 115.8 | | |
| 105 | G | 31.6 | Very low | 34.6 | Very low | 74 Ų | 74 | 158.7 Ų | 158.7 | 76% | 0.763 | 84% | 0.837 | S | S | * | * | | | trans | 161.7 | 89.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | | |
| 106 | Q | 39.2 | Very low | 35 | Very low | 174 Ų | 174 | 161.1 Ų | 161.1 | 81% | 0.813 | 84% | 0.843 | S | S | * | * | | | trans | -53.2 | 138.4 | 157.5 | -176.7 | -172.9 | 19.2 | 0 | 0 | 110.7 | | |
| 107 | M | 35.1 | Very low | 35.2 | Very low | 184 Ų | 184 | 154.7 Ų | 154.7 | 91% | 0.906 | 84% | 0.84 | S | S | * | * | | | trans | -159.6 | 125.6 | 145.8 | -101.4 | -51.6 | 169.5 | 0 | 0 | 112.2 | | |
| 108 | H | 38.4 | Very low | 35.5 | Very low | 165 Ų | 165 | 154.3 Ų | 154.3 | 76% | 0.764 | 84% | 0.837 | S | S | * | * | | | trans | -62.3 | 141 | 161.1 | -89.3 | -94.6 | 0 | 0 | 0 | 110.6 | | |
| 109 | R | 34.1 | Very low | 35.8 | Very low | 246 Ų | 246 | 156 Ų | 156 | 93% | 0.928 | 84% | 0.837 | S | S | * | * | | | trans | -153.3 | 114 | 146.9 | -143.9 | 171.3 | -178.4 | 167.5 | 0.1 | 111.3 | | |
| 110 | K | 38.1 | Very low | 36.3 | Very low | 196 Ų | 196 | 155 Ų | 155 | 85% | 0.852 | 83% | 0.827 | S | S | * | * | | | trans | -102.4 | 171.1 | 155.8 | -89.6 | -163.5 | 177.6 | -172.8 | 0 | 108.7 | | |
| 111 | L | 36 | Very low | 36.9 | Very low | 168 Ų | 168 | 158.6 Ų | 158.6 | 88% | 0.88 | 83% | 0.83 | S | S | * | * | | | trans | 88.9 | 133.7 | -178.7 | -102.9 | 73.2 | 0 | 0 | 0 | 114.1 | | |
| 112 | A | 35.7 | Very low | 37.1 | Very low | 65 Ų | 65 | 155.6 Ų | 155.6 | 54% | 0.537 | 82% | 0.823 | S | S | . | * | | | cis | -170 | 164.3 | 5.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | | |
| 113 | H | 33.6 | Very low | 36.5 | Very low | 186 Ų | 186 | 157.7 Ų | 157.7 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | | | trans | 67.6 | 125.9 | 152 | -60.9 | -61.9 | 0 | 0 | 0 | 120.8 | | |
| 114 | R | 31.3 | Very low | 36.6 | Very low | 252 Ų | 252 | 157 Ų | 157 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | | | | 159.2 | 139.6 | 94.1 | -160.4 | 173.5 | -160.6 | -94.7 | 2.2 | 110.5 | | |
| 115 | G | 32 | Very low | 36.3 | Very low | 72 Ų | 72 | 156 Ų | 156 | 74% | 0.742 | 82% | 0.816 | S | S | * | * | | | trans | 124.2 | 84.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 116 | Q | 39.2 | Very low | 36.2 | Very low | 207 Ų | 207 | 163 Ų | 163 | 97% | 0.967 | 82% | 0.821 | S | S | * | * | | | trans | -73.3 | 128.4 | 158.6 | -164.6 | 169.2 | 8.5 | 0 | 0 | 108.1 | | |
| 117 | A | 37.1 | Very low | 35.9 | Very low | 99 Ų | 99 | 159 Ų | 159 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | | | trans | -140.6 | 131.8 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | | |
| 118 | A | 38 | Very low | 35.9 | Very low | 97 Ų | 97 | 158.6 Ų | 158.6 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 147.1 | -164.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | K120 | A118-K120 PolarHBondContact O-N 3.39Š|
| 119 | C | 38.7 | Very low | 35.4 | Very low | 103 Ų | 103 | 157 Ų | 157 | 70% | 0.696 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 116.8 | 164 | -173.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 120 | K | 42.6 | Very low | 35.4 | Very low | 186 Ų | 186 | 153 Ų | 153 | 81% | 0.809 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 131.3 | 160.8 | -91.1 | -178.5 | 171.3 | -176.9 | 0 | 107 | A118 | A118-K120 PolarHBondContact O-N 3.39Š|
| 121 | D | 41.9 | Very low | 35.5 | Very low | 147 Ų | 147 | 148.7 Ų | 148.7 | 79% | 0.786 | 79% | 0.794 | S | S | * | * | | | trans | 95.3 | 42.2 | 168.8 | -44.6 | -27 | 0 | 0 | 0 | 117.6 | | |
| 122 | C | 39.1 | Very low | 35.2 | Very low | 118 Ų | 118 | 144.9 Ų | 144.9 | 80% | 0.797 | 78% | 0.781 | S | S | * | * | | | trans | -88.8 | 96.7 | 152.4 | -69.8 | 0 | 0 | 0 | 0 | 109.8 | | |
| 123 | W | 29.3 | Very low | 34.9 | Very low | 246 Ų | 246 | 149.2 Ų | 149.2 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | | | trans | -96 | 130.2 | 166.9 | -125.1 | -42.4 | 0 | 0 | 0 | 110.6 | | |
| 124 | S | 40.6 | Very low | 35.5 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 69% | 0.692 | 79% | 0.786 | S | S | * | * | | | trans | -74.4 | 162.5 | -178.9 | 50.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 125 | K | 30.2 | Very low | 35.5 | Very low | 193 Ų | 193 | 142 Ų | 142 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | | | trans | 167.3 | 129.2 | 145.4 | -89.3 | 169.1 | -175.4 | -171 | 0 | 105.5 | | |
| 126 | Y | 30 | Very low | 35.5 | Very low | 219 Ų | 219 | 143.4 Ų | 143.4 | 86% | 0.859 | 79% | 0.792 | S | S | * | * | | | cis | -159.8 | 149.9 | 16.8 | -143.8 | -101.2 | 0 | 0 | 0 | 107.1 | | |
| 127 | S | 33.8 | Very low | 34.9 | Very low | 90 Ų | 90 | 137.2 Ų | 137.2 | 63% | 0.629 | 78% | 0.783 | S | S | * | * | | | trans | -87.3 | 172 | -177.4 | 50 | 0 | 0 | 0 | 0 | 114.6 | | |
| 128 | Q | 33.5 | Very low | 34.8 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | | | trans | 100.4 | 128.5 | 164.1 | -51.8 | -156.3 | 11.6 | 0 | 0 | 113.6 | | |
| 129 | T | 28.5 | Very low | 34.6 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | | | cis | -157.8 | 139.4 | 43.8 | -50.9 | 0 | 0 | 0 | 0 | 110.8 | | |
| 130 | E | 33.4 | Very low | 34.3 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | | | trans | -102.6 | 151.2 | 161 | -107.3 | -85.7 | 147.9 | 0 | 0 | 107.1 | S132 | E130-S132 PolarHBondContact OE2-N 3.45Š|
| 131 | P | 40.7 | Very low | 33.9 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 68% | 0.682 | 79% | 0.787 | S | S | * | * | | | | -151.1 | 148.1 | 92.4 | 37.6 | -19 | 0 | 0 | 0 | 117.3 | | |
| 132 | S | 29.3 | Very low | 33.5 | Very low | 89 Ų | 89 | 141.5 Ų | 141.5 | 62% | 0.622 | 79% | 0.79 | S | S | * | * | | | trans | 67.5 | 137.1 | 140.6 | 52.1 | 0 | 0 | 0 | 0 | 118.3 | E130 | E130-S132 PolarHBondContact OE2-N 3.45Š|
| 133 | D | 30.9 | Very low | 33.3 | Very low | 156 Ų | 156 | 142.2 Ų | 142.2 | 83% | 0.834 | 79% | 0.79 | S | S | * | * | | | cis | -161.3 | 170.8 | 9.9 | -116.3 | -17.9 | 0 | 0 | 0 | 109 | | |
| 134 | P | 45.9 | Very low | 33.7 | Very low | 103 Ų | 103 | 135.2 Ų | 135.2 | 67% | 0.669 | 79% | 0.785 | S | S | * | * | | | trans | -104.1 | 151.3 | -159.9 | 38.5 | -33.3 | 0 | 0 | 0 | 114.7 | | |
| 135 | L | 31.3 | Very low | 33.3 | Very low | 183 Ų | 183 | 135.9 Ų | 135.9 | 96% | 0.958 | 79% | 0.79 | S | S | * | * | | | trans | -157.8 | 147.8 | 148.5 | -138 | 73.8 | 0 | 0 | 0 | 113.8 | | |
| 136 | A | 31 | Very low | 33.7 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 84% | 0.843 | 79% | 0.793 | S | S | * | * | | | trans | -67.2 | 161.4 | -163.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | | |
| 137 | G | 27.9 | Very low | 33.9 | Very low | 77 Ų | 77 | 131.3 Ų | 131.3 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | | | trans | 169.6 | 94.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 138 | I | 34.5 | Very low | 34.2 | Very low | 166 Ų | 166 | 135.5 Ų | 135.5 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | | | trans | -56.7 | 143.1 | 169 | -62.9 | 164.2 | 0 | 0 | 0 | 110.4 | | |
| 139 | V | 33 | Very low | 34.5 | Very low | 137 Ų | 137 | 135 Ų | 135 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | | | | 171.5 | 145.5 | 129.9 | 156.7 | 0 | 0 | 0 | 0 | 111.7 | | |
| 140 | E | 32.6 | Very low | 35.2 | Very low | 167 Ų | 167 | 136.4 Ų | 136.4 | 78% | 0.78 | 80% | 0.799 | S | S | * | * | | | trans | -65.4 | 151.8 | -167.2 | -55.4 | 173.8 | 140.5 | 0 | 0 | 117.1 | | |
| 141 | T | 34.2 | Very low | 35.7 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 74% | 0.736 | 80% | 0.801 | S | S | * | * | | | | 142.1 | 129.4 | 124.4 | 50.4 | 0 | 0 | 0 | 0 | 112.7 | | |
| 142 | P | 34 | Very low | 35.5 | Very low | 131 Ų | 131 | 142.6 Ų | 142.6 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | | | trans | -92.8 | 108.8 | 175.9 | 33.2 | -27.3 | 0 | 0 | 0 | 110.8 | | |
| 143 | V | 34.8 | Very low | 35.9 | Very low | 133 Ų | 133 | 142.9 Ų | 142.9 | 81% | 0.806 | 82% | 0.82 | S | S | * | * | | | trans | -85.4 | 112.7 | 162.6 | 176.6 | 0 | 0 | 0 | 0 | 108.5 | S145 | V143-S145 PolarHBondContact O-N 2.95Š|
| 144 | A | 37.3 | Very low | 36.4 | Very low | 100 Ų | 100 | 146.7 Ų | 146.7 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | | | trans | -63.7 | 119.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | | |
| 145 | S | 32.2 | Very low | 36.2 | Very low | 112 Ų | 112 | 153.6 Ų | 153.6 | 78% | 0.783 | 84% | 0.836 | S | S | * | * | | | trans | -132.2 | 102.2 | 154.1 | 66.1 | 0 | 0 | 0 | 0 | 110 | V143 G147 | V143-S145 PolarHBondContact O-N 2.95Å; S145-G147 VanDerWaalsContact C-N 3.34Å; S145-G147 PolarHBondContact O-N 2.84Å |
| 146 | R | 38.5 | Very low | 36.7 | Very low | 242 Ų | 242 | 153.4 Ų | 153.4 | 91% | 0.913 | 83% | 0.83 | S | S | * | * | | | trans | -68.6 | 89.2 | 169 | -95.7 | 175.9 | 161.4 | 177.1 | -3.4 | 108.9 | K148 | R146-K148 PolarHBondContact O-N 3.33Š|
| 147 | G | 34.2 | Very low | 37 | Very low | 74 Ų | 74 | 156.7 Ų | 156.7 | 76% | 0.763 | 83% | 0.832 | S | S | * | * | | | trans | -75.7 | 98.7 | 162.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | S145 L149 | S145-G147 VanDerWaalsContact C-N 3.34Å; S145-G147 PolarHBondContact O-N 2.84Å; G147-L149 PolarHBondContact O-N 3.2Å |
| 148 | K | 39.8 | Very low | 37.4 | Very low | 178 Ų | 178 | 161.8 Ų | 161.8 | 77% | 0.774 | 83% | 0.833 | S | S | * | * | | | trans | -73.3 | 100.7 | 168.3 | -75.2 | 177.6 | 178.6 | 176.3 | 0 | 109 | R146 L150 | R146-K148 PolarHBondContact O-N 3.33Å; K148-L150 PolarHBondContact O-N 3.35Å |
| 149 | L | 41.6 | Very low | 37.3 | Very low | 165 Ų | 165 | 157.2 Ų | 157.2 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | | | trans | -75.6 | 96.8 | 168.1 | -123.8 | 135.2 | 0 | 0 | 0 | 108.5 | G147 I151 | G147-L149 PolarHBondContact O-N 3.2Å; L149-I151 PolarHBondContact O-N 2.98Å |
| 150 | L | 43 | Very low | 37.2 | Very low | 161 Ų | 161 | 156.5 Ų | 156.5 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | | | trans | -84.3 | 110.2 | 171.1 | -73.1 | 174.9 | 0 | 0 | 0 | 109.5 | K148 R152 | K148-L150 PolarHBondContact O-N 3.35Å; L150-R152 PolarHBondContact O-N 2.78Å |
| 151 | I | 42.3 | Very low | 37.4 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 81% | 0.805 | 82% | 0.818 | S | S | * | * | | | trans | -65.4 | 123.1 | 175.8 | -62.9 | 168.7 | 0 | 0 | 0 | 109.6 | L149 | L149-I151 PolarHBondContact O-N 2.98Š|
| 152 | R | 36.6 | Very low | 37.4 | Very low | 241 Ų | 241 | 157.5 Ų | 157.5 | 91% | 0.909 | 82% | 0.82 | S | S | * | * | | | trans | -89.8 | 105.6 | 171.7 | -168.7 | 179.5 | -158.1 | 168.4 | 5.9 | 109.7 | L150 R154 | L150-R152 PolarHBondContact O-N 2.78Å; R152-R154 PolarHBondContact O-N 2.95Å |
| 153 | A | 38.5 | Very low | 37.4 | Very low | 96 Ų | 96 | 159.4 Ų | 159.4 | 79% | 0.793 | 82% | 0.823 | S | S | * | * | | | trans | -74.3 | 115.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | | |
| 154 | R | 41.5 | Very low | 37.5 | Very low | 235 Ų | 235 | 162.8 Ų | 162.8 | 89% | 0.887 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 127.4 | 172.9 | -132.2 | 177.7 | -176.1 | 174.4 | 0.3 | 108.5 | R152 Q156 | R152-R154 PolarHBondContact O-N 2.95Å; R154-Q156 PolarHBondContact O-N 3.32Å |
| 155 | R | 42.4 | Very low | 37.5 | Very low | 249 Ų | 249 | 165.5 Ų | 165.5 | 94% | 0.94 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -72 | 117.4 | 175.4 | -61.7 | -179.6 | -165.6 | -175.5 | 4 | 109 | | |
| 156 | Q | 41.5 | Very low | 37.8 | Very low | 178 Ų | 178 | 167.5 Ų | 167.5 | 83% | 0.832 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 121.8 | 167.7 | -73.4 | -73.6 | 7.1 | 0 | 0 | 108.6 | R154 K158 | R154-Q156 PolarHBondContact O-N 3.32Å; Q156-K158 PolarHBondContact O-N 2.9Å |
| 157 | L | 36.8 | Very low | 37.5 | Very low | 171 Ų | 171 | 163.8 Ų | 163.8 | 90% | 0.895 | 82% | 0.817 | S | S | * | * | | | trans | -78.1 | 109.1 | 173.8 | -174.5 | 72.8 | 0 | 0 | 0 | 108.2 | G159 | L157-G159 PolarHBondContact O-N 3.48Š|
| 158 | K | 36 | Very low | 37.4 | Very low | 184 Ų | 184 | 163.1 Ų | 163.1 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | | | trans | -79.3 | 97.3 | 176.6 | -172.4 | 157.6 | -178.8 | 173.4 | 0 | 109.2 | Q156 N160 | Q156-K158 PolarHBondContact O-N 2.9Å; K158-N160 PolarHBondContact O-N 3.43Å |
| 159 | G | 32.4 | Very low | 37.7 | Very low | 71 Ų | 71 | 160.5 Ų | 160.5 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | | | trans | -74.7 | 112.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | L157 S161 | L157-G159 PolarHBondContact O-N 3.48Å; G159-S161 PolarHBondContact O-N 3.32Å |
| 160 | N | 31.6 | Very low | 37.5 | Very low | 121 Ų | 121 | 160 Ų | 160 | 65% | 0.647 | 81% | 0.809 | S | S | * | * | | | trans | -75.5 | 114 | 173.5 | -80.5 | 3.4 | 0 | 0 | 0 | 109.4 | K158 Y162 | K158-N160 PolarHBondContact O-N 3.43Å; N160-Y162 HydrophobicContact CB-CD2 4.44Å; N160-Y162 HydrophobicContact CB-CE2 4.44Å |
| 161 | S | 36.3 | Very low | 37.3 | Very low | 112 Ų | 112 | 157.1 Ų | 157.1 | 78% | 0.783 | 81% | 0.808 | S | S | * | * | | | trans | -91 | 115.9 | 166.8 | 178.5 | 0 | 0 | 0 | 0 | 109.1 | G159 | G159-S161 PolarHBondContact O-N 3.32Š|
| 162 | Y | 34.3 | Very low | 37.1 | Very low | 197 Ų | 197 | 156.1 Ų | 156.1 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | | | trans | -132.9 | 109.6 | 161.1 | -73.5 | -80 | 0 | 0 | 0 | 107.4 | N160 | N160-Y162 HydrophobicContact CB-CD2 4.44Å; N160-Y162 HydrophobicContact CB-CE2 4.44Å |
| 163 | N | 34.8 | Very low | 37.2 | Very low | 171 Ų | 171 | 150.3 Ų | 150.3 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | | | trans | -155.5 | 91.7 | 150 | -89.2 | -24.1 | 0 | 0 | 0 | 107 | | |
| 164 | K | 35.8 | Very low | 37.3 | Very low | 204 Ų | 204 | 152.6 Ų | 152.6 | 89% | 0.887 | 80% | 0.799 | S | S | * | * | | | trans | -142.3 | 102.9 | 166.7 | -162 | -173.4 | -171.7 | -167.3 | 0 | 108.3 | | |
| 165 | L | 36.6 | Very low | 37.2 | Very low | 156 Ų | 156 | 148.5 Ų | 148.5 | 82% | 0.817 | 80% | 0.801 | S | S | * | * | | | trans | -158.8 | 110.7 | 151.7 | -119.8 | 98.4 | 0 | 0 | 0 | 104.5 | | |
| 166 | Q | 38.4 | Very low | 37.1 | Very low | 154 Ų | 154 | 146.3 Ų | 146.3 | 72% | 0.72 | 80% | 0.798 | S | S | * | * | | | | 61.1 | 130.2 | 94.3 | -102.6 | 180 | -29.6 | 0 | 0 | 111.8 | | |
| 167 | E | 33.3 | Very low | 36.9 | Very low | 165 Ų | 165 | 141.1 Ų | 141.1 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | | | cis | -175.4 | 144.6 | 23.5 | -178.1 | 106.7 | -140.5 | 0 | 0 | 107.1 | | |
| 168 | G | 32.3 | Very low | 36.8 | Very low | 59 Ų | 59 | 139.4 Ų | 139.4 | 61% | 0.608 | 79% | 0.789 | S | S | * | * | | | trans | 118.1 | 149.3 | 139.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | | |
| 169 | P | 45.2 | Very low | 37.2 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 81% | 0.805 | 79% | 0.793 | S | S | * | * | | | trans | -121.6 | 105.5 | -142.1 | 32.3 | -13.2 | 0 | 0 | 0 | 113.3 | | |
| 170 | N | 39 | Very low | 37.8 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | | | trans | -175.2 | 143.2 | 167.7 | 19.7 | 11.9 | 0 | 0 | 0 | 111.8 | | |
| 171 | A | 38.4 | Very low | 38.3 | Very low | 101 Ų | 101 | 141 Ų | 141 | 84% | 0.835 | 80% | 0.804 | S | S | * | * | | | trans | 90.3 | 87.2 | 173 | 0 | 0 | 0 | 0 | 0 | 117 | | |
| 172 | T | 36.9 | Very low | 38.5 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | | | trans | -34.7 | 147.7 | 148.2 | 35.8 | 0 | 0 | 0 | 0 | 115.6 | | |
| 173 | V | 39.7 | Very low | 38.8 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | | | trans | 128.4 | 96.8 | 147.6 | 178.8 | 0 | 0 | 0 | 0 | 113.3 | | |
| 174 | N | 39.2 | Very low | 39.3 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | | | trans | 55.8 | 94.7 | 141.5 | -52.2 | -10.6 | 0 | 0 | 0 | 120.2 | | |
| 175 | T | 40.3 | Very low | 40 | Very low | 149 Ų | 149 | 135 Ų | 135 | 91% | 0.914 | 79% | 0.792 | S | S | * | * | | | | -155 | 122.3 | 126.2 | -28.3 | 0 | 0 | 0 | 0 | 111.1 | | |
| 176 | K | 39.8 | Very low | 40.7 | Very low | 204 Ų | 204 | 135.3 Ų | 135.3 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | | | trans | -70.2 | 123.9 | 178.9 | -131.3 | 172 | -178.9 | -179.9 | 0 | 109 | | |
| 177 | G | 37 | Very low | 41.3 | Very low | 69 Ų | 69 | 139.2 Ų | 139.2 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | | | trans | -73.1 | 139.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | | |
| 178 | T | 36.3 | Very low | 42 | Very low | 135 Ų | 135 | 134 Ų | 134 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | | | trans | -168.8 | 81.7 | 151.7 | 13.6 | 0 | 0 | 0 | 0 | 108.1 | | |
| 179 | T | 43.3 | Very low | 42.4 | Very low | 143 Ų | 143 | 137.6 Ų | 137.6 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | | | trans | -113.7 | 76.9 | 173.6 | 47.3 | 0 | 0 | 0 | 0 | 110.5 | | |
| 180 | T | 46.1 | Very low | 42.4 | Very low | 131 Ų | 131 | 138.5 Ų | 138.5 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | | | trans | -148.5 | 80.4 | 161 | 40.4 | 0 | 0 | 0 | 0 | 109.8 | | |
| 181 | V | 41.1 | Very low | 42.4 | Very low | 134 Ų | 134 | 134.6 Ų | 134.6 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | S | Bend | trans | -146.7 | 135.9 | 151.1 | -175.3 | 0 | 0 | 0 | 0 | 107.3 | S183 | V181-S183 PolarHBondContact O-N 3.5Š|
| 182 | P | 40.7 | Very low | 42.6 | Very low | 118 Ų | 118 | 135.6 Ų | 135.6 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | | | trans | -66.9 | 121.1 | 178.3 | -5.2 | 20.6 | 0 | 0 | 0 | 109.2 | F184 | P182-F184 PolarHBondContact O-N 2.86Å; P182-F184 VanDerWaalsContact O-N 3.08Å |
| 183 | S | 41 | Very low | 42.9 | Very low | 112 Ų | 112 | 136 Ų | 136 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | | | trans | -65 | 110.2 | 176.8 | -165.2 | 0 | 0 | 0 | 0 | 109.8 | V181 | V181-S183 PolarHBondContact O-N 3.5Š|
| 184 | F | 44 | Very low | 43 | Very low | 200 Ų | 200 | 135.8 Ų | 135.8 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | | | trans | -56.4 | 134.5 | 152.2 | -111.7 | -108.6 | 0 | 0 | 0 | 107.8 | P182 | P182-F184 PolarHBondContact O-N 2.86Å; P182-F184 VanDerWaalsContact O-N 3.08Å |
| 185 | I | 51.8 | Low | 43 | Very low | 130 Ų | 130 | 134.4 Ų | 134.4 | 67% | 0.667 | 80% | 0.799 | S | S | * | * | | | trans | -90.8 | 111.6 | 172.7 | -63.1 | 166.1 | 0 | 0 | 0 | 105.9 | | |
| 186 | D | 51.8 | Low | 43.2 | Very low | 162 Ų | 162 | 135.3 Ų | 135.3 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | | | trans | -92 | 117.2 | 175.1 | -151.7 | 8.8 | 0 | 0 | 0 | 108.7 | | |
| 187 | W | 50 | Low | 43.2 | Very low | 235 Ų | 235 | 132.7 Ų | 132.7 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | | | trans | -95.5 | 104.8 | 176.2 | -73.3 | 97.9 | 0 | 0 | 0 | 108.3 | | |
| 188 | G | 47.4 | Very low | 43.2 | Very low | 55 Ų | 55 | 137 Ų | 137 | 57% | 0.567 | 80% | 0.8 | S | S | * | * | | | trans | -149.9 | 140.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | T190 | G188-T190 PolarHBondContact O-N 3.5Š|
| 189 | P | 41.2 | Very low | 43.2 | Very low | 135 Ų | 135 | 136.1 Ų | 136.1 | 88% | 0.877 | 80% | 0.8 | S | S | * | * | | | trans | -71.2 | 127.2 | -173 | 28.6 | -31.9 | 0 | 0 | 0 | 110.9 | G191 | P189-G191 PolarHBondContact O-N 3.46Å; P189-G191 VanDerWaalsContact O-N 3.08Å |
| 190 | T | 44.6 | Very low | 42.7 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | | | trans | -68.5 | 103.7 | -179.8 | -39.6 | 0 | 0 | 0 | 0 | 110 | G188 | G188-T190 PolarHBondContact O-N 3.5Š|
| 191 | G | 40.3 | Very low | 42 | Very low | 71 Ų | 71 | 136.8 Ų | 136.8 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | | | trans | -74.3 | 145 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P189 | P189-G191 PolarHBondContact O-N 3.46Å; P189-G191 VanDerWaalsContact O-N 3.08Å |
| 192 | T | 41.1 | Very low | 41.5 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | | | trans | -78.9 | 157.3 | -174 | 52.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 193 | D | 44.3 | Very low | 41.2 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | | | trans | 45.1 | 119.3 | 147.7 | 66.7 | -35.9 | 0 | 0 | 0 | 122.3 | | |
| 194 | S | 42.2 | Very low | 40.8 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | | -165.8 | 130.9 | 118.6 | 59.3 | 0 | 0 | 0 | 0 | 113.4 | | |
| 195 | T | 39.4 | Very low | 40.4 | Very low | 116 Ų | 116 | 139.1 Ų | 139.1 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | | | trans | -32.5 | 139.4 | 161.6 | -48.1 | 0 | 0 | 0 | 0 | 116.5 | | |
| 196 | D | 43.2 | Very low | 39.3 | Very low | 168 Ų | 168 | 143.7 Ų | 143.7 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | | | trans | -124.4 | 121.6 | 151.2 | -86.8 | -36.5 | 0 | 0 | 0 | 109.2 | | |
| 197 | D | 40.2 | Very low | 38.5 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | | | trans | -69 | 137.7 | 174.1 | -75.1 | -56.1 | 0 | 0 | 0 | 111.4 | | |
| 198 | D | 37.4 | Very low | 37.5 | Very low | 158 Ų | 158 | 137.9 Ų | 137.9 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | | | trans | -166.9 | 117.7 | 138.2 | -132.7 | -15.1 | 0 | 0 | 0 | 112.3 | | |
| 199 | S | 36 | Very low | 36.7 | Very low | 118 Ų | 118 | 141.3 Ų | 141.3 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | | | trans | 156.5 | 94.8 | 141.7 | -73.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 200 | K | 31.9 | Very low | 36.2 | Very low | 209 Ų | 209 | 145.8 Ų | 145.8 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | | | trans | -62.2 | 126.9 | 162.6 | -176.2 | -171.8 | -178.3 | -158.3 | 0 | 110.5 | | |
| 201 | G | 32.8 | Very low | 35.5 | Very low | 78 Ų | 78 | 143 Ų | 143 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | | | trans | -159.8 | 113.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | | |
| 202 | E | 29.5 | Very low | 35.1 | Very low | 166 Ų | 166 | 145.1 Ų | 145.1 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | | | trans | -63.6 | 145.1 | -170.3 | -103.4 | 177 | 120.8 | 0 | 0 | 117.7 | | |
| 203 | I | 35.9 | Very low | 35.5 | Very low | 127 Ų | 127 | 144.7 Ų | 144.7 | 65% | 0.651 | 80% | 0.798 | S | S | * | * | | | trans | 32.9 | 138.5 | 140.4 | 27.6 | -176.7 | 0 | 0 | 0 | 120 | | |
| 204 | N | 32.3 | Very low | 34.9 | Very low | 137 Ų | 137 | 145 Ų | 145 | 73% | 0.733 | 80% | 0.804 | S | S | * | * | | | cis | -163.6 | 160.1 | 21.3 | -91.8 | -51 | 0 | 0 | 0 | 108 | | |
| 205 | E | 35 | Very low | 34.6 | Very low | 183 Ų | 183 | 145.3 Ų | 145.3 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | | | trans | 151.7 | 96.9 | 132.2 | -79 | -165.5 | 175.5 | 0 | 0 | 114.7 | | |
| 206 | R | 28.1 | Very low | 34.4 | Very low | 226 Ų | 226 | 146.1 Ų | 146.1 | 85% | 0.853 | 81% | 0.806 | S | S | * | * | | | | 58.9 | 101.4 | 120.7 | -153 | -178.8 | -170 | 167.4 | 2.2 | 119.3 | | |
| 207 | L | 34.6 | Very low | 33.9 | Very low | 168 Ų | 168 | 142.6 Ų | 142.6 | 88% | 0.88 | 80% | 0.8 | S | S | * | * | | | | -164.7 | 125.2 | 111.9 | -126.1 | 84.4 | 0 | 0 | 0 | 111 | | |
| 208 | S | 29.4 | Very low | 33.6 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 75% | 0.748 | 80% | 0.799 | S | S | * | * | | | trans | -104.3 | 131.6 | 176.5 | 166.3 | 0 | 0 | 0 | 0 | 109 | | |
| 209 | T | 30.4 | Very low | 33.6 | Very low | 127 Ų | 127 | 140.8 Ų | 140.8 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | | | trans | -166.6 | 111.1 | 137.2 | -10 | 0 | 0 | 0 | 0 | 113.8 | | |
| 210 | R | 31 | Very low | 33.6 | Very low | 230 Ų | 230 | 141.4 Ų | 141.4 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | | | | 68.9 | 108.3 | 124.7 | -163 | 173.5 | -171.5 | 177.3 | 1.7 | 122.5 | | |
| 211 | A | 31.1 | Very low | 33.7 | Very low | 86 Ų | 86 | 134.5 Ų | 134.5 | 71% | 0.711 | 79% | 0.789 | S | S | * | * | | | trans | 11.9 | 133.5 | 135.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | | |
| 212 | S | 30.6 | Very low | 33.8 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | | | | 176.8 | 155.2 | 83.8 | -91.9 | 0 | 0 | 0 | 0 | 112.7 | | |
| 213 | P | 49.4 | Very low | 34.3 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | | | trans | -102.9 | 161.7 | -178.5 | 38.8 | -30.9 | 0 | 0 | 0 | 113.5 | | |
| 214 | T | 33.3 | Very low | 34.2 | Very low | 148 Ų | 148 | 136.8 Ų | 136.8 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | | | trans | -153.5 | 143.7 | 158.6 | -56.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 215 | T | 35.6 | Very low | 34.4 | Very low | 122 Ų | 122 | 141.9 Ų | 141.9 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | | | trans | -104.9 | 169.3 | -164.8 | -44.3 | 0 | 0 | 0 | 0 | 112 | | |
| 216 | V | 34 | Very low | 34.5 | Very low | 133 Ų | 133 | 139.8 Ų | 139.8 | 81% | 0.806 | 82% | 0.818 | S | S | * | * | | | trans | 98.6 | 116.2 | 149.1 | -163.8 | 0 | 0 | 0 | 0 | 118.1 | | |
| 217 | A | 33.1 | Very low | 34.7 | Very low | 94 Ų | 94 | 134.3 Ų | 134.3 | 78% | 0.777 | 81% | 0.814 | S | S | * | * | | | | -179.5 | 128.1 | 105.6 | 0 | 0 | 0 | 0 | 0 | 113 | | |
| 218 | T | 34.8 | Very low | 35 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 77% | 0.773 | 81% | 0.812 | S | S | * | * | | | trans | -91.1 | 144.7 | 173.6 | -56.4 | 0 | 0 | 0 | 0 | 110.1 | | |
| 219 | T | 37.1 | Very low | 35.2 | Very low | 144 Ų | 144 | 140 Ų | 140 | 88% | 0.883 | 82% | 0.815 | S | S | * | * | | | trans | -151.2 | 137.6 | 153 | -24.6 | 0 | 0 | 0 | 0 | 111.9 | | |
| 220 | T | 36.3 | Very low | 35.2 | Very low | 130 Ų | 130 | 139.6 Ų | 139.6 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | | | trans | -118.1 | 156.4 | -168.8 | -29.8 | 0 | 0 | 0 | 0 | 110.2 | | |
| 221 | G | 33.2 | Very low | 35.5 | Very low | 65 Ų | 65 | 137.3 Ų | 137.3 | 67% | 0.67 | 81% | 0.809 | S | S | * | * | | | trans | 100.7 | 146.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | | |
| 222 | T | 35.1 | Very low | 35.5 | Very low | 144 Ų | 144 | 138.6 Ų | 138.6 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | | | cis | -167.3 | 141.6 | 6.6 | 21.5 | 0 | 0 | 0 | 0 | 106.5 | | |
| 223 | T | 40.3 | Very low | 35.5 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 92% | 0.92 | 81% | 0.809 | S | S | * | * | | | trans | -88.3 | 128 | 172.5 | 42.2 | 0 | 0 | 0 | 0 | 110.4 | | |
| 224 | S | 34.3 | Very low | 34.7 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 87% | 0.867 | 81% | 0.808 | S | S | * | * | | | trans | -121.5 | 158.1 | 174.7 | 67.9 | 0 | 0 | 0 | 0 | 111.8 | | |
| 225 | R | 35.6 | Very low | 34.8 | Very low | 245 Ų | 245 | 139.5 Ų | 139.5 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | | | trans | -94 | 161.2 | -151.5 | -63.4 | 175.3 | 176 | 162 | -2.3 | 114.8 | | |
| 226 | V | 36.5 | Very low | 34.7 | Very low | 138 Ų | 138 | 138.6 Ų | 138.6 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | | | trans | -13.3 | 133.3 | 153 | -179 | 0 | 0 | 0 | 0 | 117.1 | | |
| 227 | S | 33.1 | Very low | 34.7 | Very low | 112 Ų | 112 | 138.2 Ų | 138.2 | 78% | 0.783 | 80% | 0.804 | S | S | * | * | | | trans | -147.1 | 121 | 152.9 | -175.8 | 0 | 0 | 0 | 0 | 110.5 | | |
| 228 | E | 40 | Very low | 34.7 | Very low | 177 Ų | 177 | 142.8 Ų | 142.8 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | | | trans | -73.2 | 142.9 | 167.9 | -69.8 | 175.9 | 141.6 | 0 | 0 | 110.8 | | |
| 229 | R | 33.9 | Very low | 34.5 | Very low | 217 Ų | 217 | 141.7 Ų | 141.7 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | | | trans | -150.2 | 111.4 | 157.2 | -127.1 | 178 | -170.4 | 134.4 | 0.5 | 112.3 | | |
| 230 | T | 30.2 | Very low | 34.2 | Very low | 118 Ų | 118 | 144.5 Ų | 144.5 | 72% | 0.724 | 81% | 0.806 | S | S | * | * | | | trans | -60.3 | 134.7 | 167.3 | -54.5 | 0 | 0 | 0 | 0 | 111.9 | | |
| 231 | F | 37.5 | Very low | 33.9 | Very low | 182 Ų | 182 | 144.1 Ų | 144.1 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | | | trans | -135.5 | 124.3 | 155.8 | -76.3 | -77.3 | 0 | 0 | 0 | 110.6 | | |
| 232 | T | 31.5 | Very low | 33.7 | Very low | 114 Ų | 114 | 146.4 Ų | 146.4 | 70% | 0.699 | 81% | 0.81 | S | S | * | * | | | trans | -89.6 | 170.5 | 171 | 41.9 | 0 | 0 | 0 | 0 | 110.6 | | |
| 233 | V | 30.6 | Very low | 33.5 | Very low | 133 Ų | 133 | 145.1 Ų | 145.1 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | | | trans | 85.6 | 117.7 | 170.7 | -160.8 | 0 | 0 | 0 | 0 | 112.4 | | |
| 234 | V | 32 | Very low | 33.1 | Very low | 119 Ų | 119 | 147.7 Ų | 147.7 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | | | | -159.1 | 127.2 | 67.9 | 171 | 0 | 0 | 0 | 0 | 109.8 | | |
| 235 | T | 35.2 | Very low | 32.9 | Very low | 143 Ų | 143 | 147.2 Ų | 147.2 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | | | trans | -92.7 | 115.9 | 157.7 | -48.3 | 0 | 0 | 0 | 0 | 107 | | |
| 236 | S | 33.8 | Very low | 32.7 | Very low | 103 Ų | 103 | 141.2 Ų | 141.2 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | | | trans | -125.8 | 108.7 | 170.9 | -175.8 | 0 | 0 | 0 | 0 | 110.1 | | |
| 237 | T | 33.9 | Very low | 32.8 | Very low | 125 Ų | 125 | 142.5 Ų | 142.5 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | | | trans | -84.7 | 118.5 | 163.5 | 46.8 | 0 | 0 | 0 | 0 | 108.5 | | |
| 238 | Q | 33.4 | Very low | 32.8 | Very low | 189 Ų | 189 | 142.4 Ų | 142.4 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -157.8 | 133.3 | 143.5 | -138.1 | 170 | 3.1 | 0 | 0 | 115.1 | | |
| 239 | S | 30.1 | Very low | 32.5 | Very low | 103 Ų | 103 | 143.8 Ų | 143.8 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | | | trans | -77.7 | 133.9 | 179.3 | 45.8 | 0 | 0 | 0 | 0 | 114.3 | | |
| 240 | K | 32.8 | Very low | 33.1 | Very low | 203 Ų | 203 | 139.1 Ų | 139.1 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | | | trans | 18.4 | 116.6 | 130.5 | -162.7 | 171.8 | -174.1 | 176.3 | 0 | 118.5 | | |
| 241 | S | 29.2 | Very low | 33.3 | Very low | 122 Ų | 122 | 142.7 Ų | 142.7 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | | | trans | -159.4 | 159.2 | 147 | -171.4 | 0 | 0 | 0 | 0 | 111.7 | | |
| 242 | T | 29.6 | Very low | 33.8 | Very low | 114 Ų | 114 | 140.5 Ų | 140.5 | 70% | 0.699 | 80% | 0.804 | S | S | * | * | | | trans | -104.1 | 156.4 | -150.1 | -43.1 | 0 | 0 | 0 | 0 | 113 | | |
| 243 | T | 30.1 | Very low | 34.5 | Very low | 116 Ų | 116 | 139.7 Ų | 139.7 | 71% | 0.712 | 81% | 0.808 | S | S | * | * | | | trans | 85.5 | 107.2 | 152.5 | -14.3 | 0 | 0 | 0 | 0 | 119 | | |
| 244 | K | 32.8 | Very low | 35.3 | Very low | 205 Ų | 205 | 142.3 Ų | 142.3 | 89% | 0.891 | 81% | 0.809 | S | S | * | * | | | | 172.8 | 147.6 | 101.1 | -86.8 | -175.9 | -174.4 | -179.1 | 0 | 110.9 | | |
| 245 | S | 29.9 | Very low | 36.2 | Very low | 113 Ų | 113 | 141.7 Ų | 141.7 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | | | trans | -83.5 | 141.5 | -171.4 | 137.3 | 0 | 0 | 0 | 0 | 113.1 | | |
| 246 | S | 31.5 | Very low | 37.2 | Very low | 120 Ų | 120 | 141 Ų | 141 | 84% | 0.839 | 81% | 0.805 | S | S | * | * | | | trans | -157 | 138.1 | 141.6 | 63 | 0 | 0 | 0 | 0 | 112.1 | | |
| 247 | I | 38.9 | Very low | 37.8 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 84% | 0.841 | 81% | 0.809 | S | S | * | * | | | trans | -66.9 | 135.1 | -172.1 | -71.2 | 148.6 | 0 | 0 | 0 | 113.9 | | |
| 248 | S | 31.1 | Very low | 38.8 | Very low | 111 Ų | 111 | 145.3 Ų | 145.3 | 78% | 0.776 | 81% | 0.814 | S | S | * | * | | | trans | -172.4 | 114.6 | 133.1 | 58.6 | 0 | 0 | 0 | 0 | 113.3 | | |
| 249 | K | 34.7 | Very low | 39.2 | Very low | 206 Ų | 206 | 147 Ų | 147 | 90% | 0.896 | 81% | 0.814 | S | S | * | * | | | trans | 28.4 | 154.1 | 148.9 | -78.7 | -177.8 | -179.8 | 178.8 | 0 | 123.9 | | |
| 250 | P | 45.6 | Very low | 40.2 | Very low | 119 Ų | 119 | 144.3 Ų | 144.3 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | | | trans | -97.9 | 140.4 | -152.9 | 37.3 | -29 | 0 | 0 | 0 | 112.9 | | |
| 251 | E | 35.2 | Very low | 41 | Very low | 193 Ų | 193 | 142.3 Ų | 142.3 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | | | trans | -126.8 | 118.2 | 164.7 | -163.6 | 154.1 | 179.7 | 0 | 0 | 110.8 | A253 | E251-A253 PolarHBondContact O-N 3.5Š|
| 252 | T | 48.1 | Very low | 42.3 | Very low | 136 Ų | 136 | 142 Ų | 142 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | | | trans | -63.2 | 105 | 179.7 | -62.2 | 0 | 0 | 0 | 0 | 110.7 | | |
| 253 | A | 45.3 | Very low | 43.6 | Very low | 96 Ų | 96 | 140.9 Ų | 140.9 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | | | trans | -114 | 114.6 | 163.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | E251 | E251-A253 PolarHBondContact O-N 3.5Š|
| 254 | K | 47.3 | Very low | 44.9 | Very low | 189 Ų | 189 | 138 Ų | 138 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | | | trans | -50.8 | 152.6 | 175.6 | -81.5 | 171.8 | 173.5 | 170.4 | 0 | 112.4 | | |
| 255 | P | 52.7 | Low | 46.4 | Very low | 106 Ų | 106 | 134.8 Ų | 134.8 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | | | trans | -68.6 | 145.1 | 174.6 | 30 | -34.2 | 0 | 0 | 0 | 110.8 | K257 | P255-K257 PolarHBondContact O-N 3.35Å; P255-K257 VanDerWaalsContact O-N 3.14Å |
| 256 | P | 55.8 | Low | 48.4 | Very low | 127 Ų | 127 | 131.5 Ų | 131.5 | 83% | 0.825 | 76% | 0.755 | S | S | * | * | | | trans | -65.3 | 115.5 | 166 | 26.8 | -30.2 | 0 | 0 | 0 | 108.5 | | |
| 257 | K | 44.9 | Very low | 51 | Low | 184 Ų | 184 | 129.5 Ų | 129.5 | 80% | 0.8 | 74% | 0.737 | S | S | * | * | | | trans | -69.2 | 129.3 | 168.2 | -73 | 176.1 | 177.1 | 179.5 | 0 | 108.6 | P255 Y259 | P255-K257 PolarHBondContact O-N 3.35Å; P255-K257 VanDerWaalsContact O-N 3.14Å; K257-Y259 PolarHBondContact O-N 2.89Å |
| 258 | P | 54.9 | Low | 53.1 | Low | 135 Ų | 135 | 127.7 Ų | 127.7 | 88% | 0.877 | 73% | 0.725 | S | S | * | * | | | trans | -77.7 | 101.3 | 164.9 | 30.3 | -28.8 | 0 | 0 | 0 | 108.2 | | |
| 259 | Y | 41.8 | Very low | 55.7 | Low | 224 Ų | 224 | 127.9 Ų | 127.9 | 88% | 0.878 | 71% | 0.714 | S | S | * | * | | | trans | -120 | 120.9 | 173.2 | -154.9 | -91.8 | 0 | 0 | 0 | 107.2 | K257 | K257-Y259 PolarHBondContact O-N 2.89Š|
| 260 | G | 52.8 | Low | 58.1 | Low | 48 Ų | 48 | 123 Ų | 123 | 50% | 0.495 | 70% | 0.697 | S | S | . | * | S | Bend | trans | 152.1 | -76.2 | 162.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | | |
| 261 | D | 48.3 | Very low | 60.3 | Low | 161 Ų | 161 | 121.6 Ų | 121.6 | 86% | 0.861 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -120.1 | 39.3 | -141.9 | -60.6 | -30.9 | 0 | 0 | 0 | 116.2 | | |
| 262 | T | 56.3 | Low | 63 | Low | 116 Ų | 116 | 115.4 Ų | 115.4 | 71% | 0.712 | 66% | 0.657 | S | S | * | * | | | trans | -131.3 | 20.6 | 173.2 | 53.1 | 0 | 0 | 0 | 0 | 117.9 | | |
| 263 | P | 56.9 | Low | 65.1 | Low | 89 Ų | 89 | 113.3 Ų | 113.3 | 58% | 0.578 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -81.9 | -32.1 | 167.7 | 29.5 | -29.5 | 0 | 0 | 0 | 113 | V267 | P263-V267 WeakPolarHBondContact O-CB 3.35Å; P263-V267 WeakPolarHBondContact O-CG2 3.06Å; P263-V267 PolarHBondContact O-N 2.9Å |
| 264 | G | 59.1 | Low | 67.5 | Low | 57 Ų | 57 | 111.8 Ų | 111.8 | 59% | 0.588 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -73.8 | -39.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | H268 | G264-H268 PolarHBondContact O-N 2.86Å; G264-H268 VanDerWaalsContact O-N 3.15Å |
| 265 | L | 63 | Low | 69.7 | Low | 137 Ų | 137 | 106.8 Ų | 106.8 | 72% | 0.717 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74 | -37.5 | -177.8 | -162.5 | 69 | 0 | 0 | 0 | 111.9 | Q269 | L265-Q269 WeakPolarHBondContact O-CB 3.35Å; L265-Q269 PolarHBondContact O-N 3.46Å; L265-Q269 VanDerWaalsContact O-N 3.08Å |
| 266 | A | 72.8 | Confident | 71.7 | Confident | 44 Ų | 44 | 105.1 Ų | 105.1 | 36% | 0.364 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -70.2 | -38.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | Q269 I270 | A266-Q269 PolarHBondContact O-N 2.95Å; A266-I270 WeakPolarHBondContact O-CB 3.11Å; A266-I270 WeakPolarHBondContact O-CD1 3.15Å; A266-I270 WeakPolarHBondContact O-CG1 3.34Å; A266-I270 PolarHBondContact O-N 2.92Å |
| 267 | V | 86.5 | Confident | 73.5 | Confident | 77 Ų | 77 | 103.7 Ų | 103.7 | 47% | 0.467 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.2 | -44 | 177.7 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | P263 Q269 I270 I271 | P263-V267 WeakPolarHBondContact O-CB 3.35Å; P263-V267 WeakPolarHBondContact O-CG2 3.06Å; P263-V267 PolarHBondContact O-N 2.9Å; V267-Q269 VanDerWaalsContact C-N 3.28Å; V267-Q269 PolarHBondContact O-N 2.82Å; V267-I270 PolarHBondContact O-N 2.88Å; V267-I271 HydrophobicContact CG1-CD1 3.57Å; V267-I271 HydrophobicContact CG1-CG1 4.26Å; V267-I271 WeakPolarHBondContact O-CB 3.32Å; V267-I271 WeakPolarHBondContact O-CG1 3.45Å; V267-I271 PolarHBondContact O-N 2.85Å |
| 268 | H | 81.2 | Confident | 75.9 | Confident | 126 Ų | 126 | 100.1 Ų | 100.1 | 58% | 0.583 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.7 | -37.8 | 175 | -169.9 | -93.8 | 0 | 0 | 0 | 111.6 | G264 I271 T272 | G264-H268 PolarHBondContact O-N 2.86Å; G264-H268 VanDerWaalsContact O-N 3.15Å; H268-I271 PolarHBondContact O-N 3.23Å; H268-T272 WeakPolarHBondContact O-CB 3.5Å; H268-T272 VanDerWaalsContact O-CG2 3.26Å; H268-T272 WeakPolarHBondContact O-CG2 3.32Å; H268-T272 PolarHBondContact O-N 3.34Å; H268-T272 PolarHBondContact O-OG1 3.48Å |
| 269 | Q | 85.6 | Confident | 77.7 | Confident | 116 Ų | 116 | 99.3 Ų | 99.3 | 54% | 0.542 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.3 | -40.3 | 175.1 | -167.9 | 173.9 | 1.1 | 0 | 0 | 112.4 | L265 A266 V267 T272 I273 | L265-Q269 WeakPolarHBondContact O-CB 3.35Å; L265-Q269 PolarHBondContact O-N 3.46Å; L265-Q269 VanDerWaalsContact O-N 3.08Å; A266-Q269 PolarHBondContact O-N 2.95Å; V267-Q269 VanDerWaalsContact C-N 3.28Å; V267-Q269 PolarHBondContact O-N 2.82Å; Q269-T272 WeakPolarHBondContact CA-OG1 3.21Å; Q269-T272 PolarHBondContact O-OG1 3.47Å; Q269-I273 HydrophobicContact CG-CD1 3.85Å; Q269-I273 VanDerWaalsContact O-CB 3.31Å; Q269-I273 WeakPolarHBondContact O-CB 3.46Å; Q269-I273 WeakPolarHBondContact O-CD1 3.47Å; Q269-I273 WeakPolarHBondContact O-CG1 3.21Å; Q269-I273 PolarHBondContact O-N 3.44Å |
| 270 | I | 87.1 | Confident | 80.3 | Confident | 104 Ų | 104 | 92.5 Ų | 92.5 | 53% | 0.533 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -66.6 | -43.5 | 175.4 | -67.7 | 160.4 | 0 | 0 | 0 | 110.5 | A266 V267 I273 T274 | A266-I270 WeakPolarHBondContact O-CB 3.11Å; A266-I270 WeakPolarHBondContact O-CD1 3.15Å; A266-I270 WeakPolarHBondContact O-CG1 3.34Å; A266-I270 PolarHBondContact O-N 2.92Å; V267-I270 PolarHBondContact O-N 2.88Å; I270-I273 PolarHBondContact O-N 2.79Å; I270-T274 HydrophobicContact CG2-CG2 4.39Å; I270-T274 WeakPolarHBondContact O-CB 3.4Å; I270-T274 VanDerWaalsContact O-CG2 3.24Å; I270-T274 WeakPolarHBondContact O-CG2 3.31Å; I270-T274 PolarHBondContact O-N 3.25Å; I270-T274 PolarHBondContact O-OG1 3.45Å |
| 271 | I | 90.6 | Very high | 82.3 | Confident | 89 Ų | 89 | 94.1 Ų | 94.1 | 46% | 0.456 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 178 | -67 | 167.2 | 0 | 0 | 0 | 110.7 | V267 H268 T274 V275 | V267-I271 HydrophobicContact CG1-CD1 3.57Å; V267-I271 HydrophobicContact CG1-CG1 4.26Å; V267-I271 WeakPolarHBondContact O-CB 3.32Å; V267-I271 WeakPolarHBondContact O-CG1 3.45Å; V267-I271 PolarHBondContact O-N 2.85Å; H268-I271 PolarHBondContact O-N 3.23Å; I271-T274 VanDerWaalsContact CA-OG1 3.3Å; I271-T274 WeakPolarHBondContact CA-OG1 3.19Å; I271-T274 PolarHBondContact O-N 3.02Å; I271-T274 PolarHBondContact O-OG1 3.39Å; I271-V275 HydrophobicContact CG2-CG2 4.32Å; I271-V275 WeakPolarHBondContact O-CB 3.39Å; I271-V275 VanDerWaalsContact O-CG2 3.26Å; I271-V275 WeakPolarHBondContact O-CG2 3.3Å; I271-V275 PolarHBondContact O-N 3.15Å |
| 272 | T | 91.6 | Very high | 84.5 | Confident | 62 Ų | 62 | 88.4 Ų | 88.4 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 177.8 | 48.9 | 0 | 0 | 0 | 0 | 112.8 | H268 Q269 T274 S276 | H268-T272 WeakPolarHBondContact O-CB 3.5Å; H268-T272 VanDerWaalsContact O-CG2 3.26Å; H268-T272 WeakPolarHBondContact O-CG2 3.32Å; H268-T272 PolarHBondContact O-N 3.34Å; H268-T272 PolarHBondContact O-OG1 3.48Å; Q269-T272 WeakPolarHBondContact CA-OG1 3.21Å; Q269-T272 PolarHBondContact O-OG1 3.47Å; T272-T274 VanDerWaalsContact C-N 3.34Å; T272-T274 PolarHBondContact O-N 2.74Å; T272-S276 WeakPolarHBondContact O-CB 3.24Å; T272-S276 PolarHBondContact O-N 2.78Å |
| 273 | I | 92.5 | Very high | 86.2 | Confident | 93 Ų | 93 | 85.2 Ų | 85.2 | 48% | 0.477 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | 174.8 | -70.7 | 167 | 0 | 0 | 0 | 110.4 | Q269 I270 S276 L277 | Q269-I273 HydrophobicContact CG-CD1 3.85Å; Q269-I273 VanDerWaalsContact O-CB 3.31Å; Q269-I273 WeakPolarHBondContact O-CB 3.46Å; Q269-I273 WeakPolarHBondContact O-CD1 3.47Å; Q269-I273 WeakPolarHBondContact O-CG1 3.21Å; Q269-I273 PolarHBondContact O-N 3.44Å; I270-I273 PolarHBondContact O-N 2.79Å; I273-S276 PolarHBondContact O-N 2.8Å; I273-L277 WeakPolarHBondContact O-CB 3.38Å; I273-L277 PolarHBondContact O-N 3.44Å |
| 274 | T | 94.9 | Very high | 87.9 | Confident | 64 Ų | 64 | 85.7 Ų | 85.7 | 39% | 0.393 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.3 | -44.6 | -179.6 | 49.2 | 0 | 0 | 0 | 0 | 112.4 | I270 I271 T272 S276 L277 I278 | I270-T274 HydrophobicContact CG2-CG2 4.39Å; I270-T274 WeakPolarHBondContact O-CB 3.4Å; I270-T274 VanDerWaalsContact O-CG2 3.24Å; I270-T274 WeakPolarHBondContact O-CG2 3.31Å; I270-T274 PolarHBondContact O-N 3.25Å; I270-T274 PolarHBondContact O-OG1 3.45Å; I271-T274 VanDerWaalsContact CA-OG1 3.3Å; I271-T274 WeakPolarHBondContact CA-OG1 3.19Å; I271-T274 PolarHBondContact O-N 3.02Å; I271-T274 PolarHBondContact O-OG1 3.39Å; T272-T274 VanDerWaalsContact C-N 3.34Å; T272-T274 PolarHBondContact O-N 2.74Å; T274-S276 PolarHBondContact O-N 2.82Å; T274-L277 PolarHBondContact O-N 2.87Å; T274-I278 WeakPolarHBondContact O-CB 3.31Å; T274-I278 WeakPolarHBondContact O-CD1 3.46Å; T274-I278 WeakPolarHBondContact O-CG1 3.26Å; T274-I278 PolarHBondContact O-N 3.08Å |
| 275 | V | 95.4 | Very high | 89.5 | Confident | 84 Ų | 84 | 87.5 Ų | 87.5 | 51% | 0.509 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 175.2 | 173.7 | 0 | 0 | 0 | 0 | 110.9 | I271 L277 I278 M279 | I271-V275 HydrophobicContact CG2-CG2 4.32Å; I271-V275 WeakPolarHBondContact O-CB 3.39Å; I271-V275 VanDerWaalsContact O-CG2 3.26Å; I271-V275 WeakPolarHBondContact O-CG2 3.3Å; I271-V275 PolarHBondContact O-N 3.15Å; V275-L277 PolarHBondContact O-N 3.47Å; V275-I278 PolarHBondContact O-N 2.87Å; V275-M279 WeakPolarHBondContact O-CG 3.21Å; V275-M279 PolarHBondContact O-N 3.45Å |
| 276 | S | 93.6 | Very high | 90.7 | Very high | 70 Ų | 70 | 84.6 Ų | 84.6 | 49% | 0.49 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 175.8 | -178.7 | 0 | 0 | 0 | 0 | 111.8 | T272 I273 T274 M279 V280 | T272-S276 WeakPolarHBondContact O-CB 3.24Å; T272-S276 PolarHBondContact O-N 2.78Å; I273-S276 PolarHBondContact O-N 2.8Å; T274-S276 PolarHBondContact O-N 2.82Å; S276-M279 PolarHBondContact O-N 3.31Å; S276-V280 WeakPolarHBondContact O-CG2 3.24Å; S276-V280 PolarHBondContact O-N 2.91Å |
| 277 | L | 94.4 | Very high | 91.3 | Very high | 98 Ų | 98 | 85.4 Ų | 85.4 | 51% | 0.513 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.4 | -42 | 179.3 | -177.8 | 136.9 | 0 | 0 | 0 | 112.2 | I273 T274 V275 M279 V280 I281 | I273-L277 WeakPolarHBondContact O-CB 3.38Å; I273-L277 PolarHBondContact O-N 3.44Å; T274-L277 PolarHBondContact O-N 2.87Å; V275-L277 PolarHBondContact O-N 3.47Å; L277-M279 VanDerWaalsContact C-N 3.32Å; L277-M279 PolarHBondContact O-N 2.83Å; L277-V280 PolarHBondContact O-N 3.21Å; L277-I281 HydrophobicContact CD2-CD1 3.52Å; L277-I281 HydrophobicContact CG-CD1 4.1Å; L277-I281 VanDerWaalsContact O-CG1 3.32Å; L277-I281 WeakPolarHBondContact O-CG1 3.44Å; L277-I281 PolarHBondContact O-N 2.87Å |
| 278 | I | 95.1 | Very high | 91.2 | Very high | 108 Ų | 108 | 86 Ų | 86 | 55% | 0.554 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.6 | -43.3 | 175.2 | -68.8 | 164.1 | 0 | 0 | 0 | 110.3 | T274 V275 V280 I281 A282 | T274-I278 WeakPolarHBondContact O-CB 3.31Å; T274-I278 WeakPolarHBondContact O-CD1 3.46Å; T274-I278 WeakPolarHBondContact O-CG1 3.26Å; T274-I278 PolarHBondContact O-N 3.08Å; V275-I278 PolarHBondContact O-N 2.87Å; I278-V280 PolarHBondContact O-N 2.73Å; I278-I281 PolarHBondContact O-N 3.4Å; I278-A282 WeakPolarHBondContact O-CB 3.3Å; I278-A282 PolarHBondContact O-N 2.89Å |
| 279 | M | 91.9 | Very high | 91.5 | Very high | 119 Ų | 119 | 84 Ų | 84 | 59% | 0.586 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.5 | -42.7 | 176.8 | -77.6 | -54 | -37.6 | 0 | 0 | 112.7 | V275 S276 L277 A282 A283 | V275-M279 WeakPolarHBondContact O-CG 3.21Å; V275-M279 PolarHBondContact O-N 3.45Å; S276-M279 PolarHBondContact O-N 3.31Å; L277-M279 VanDerWaalsContact C-N 3.32Å; L277-M279 PolarHBondContact O-N 2.83Å; M279-A282 PolarHBondContact O-N 3.36Å; M279-A283 WeakPolarHBondContact O-CB 3.16Å; M279-A283 PolarHBondContact O-N 2.97Å |
| 280 | V | 96.4 | Very high | 91.1 | Very high | 80 Ų | 80 | 83.7 Ų | 83.7 | 49% | 0.485 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 177 | 172.2 | 0 | 0 | 0 | 0 | 111 | S276 L277 I278 A283 L284 | S276-V280 WeakPolarHBondContact O-CG2 3.24Å; S276-V280 PolarHBondContact O-N 2.91Å; L277-V280 PolarHBondContact O-N 3.21Å; I278-V280 PolarHBondContact O-N 2.73Å; V280-A283 PolarHBondContact O-N 3.29Å; V280-L284 HydrophobicContact CG1-CD1 4.07Å; V280-L284 HydrophobicContact CG1-CG 4.43Å; V280-L284 WeakPolarHBondContact O-CB 3.12Å; V280-L284 VanDerWaalsContact O-CG 3.3Å; V280-L284 WeakPolarHBondContact O-CG 3.25Å; V280-L284 PolarHBondContact O-N 3.39Å |
| 281 | I | 95.3 | Very high | 90.5 | Very high | 82 Ų | 82 | 86.1 Ų | 86.1 | 42% | 0.421 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -43.2 | 177 | -67.8 | 170.2 | 0 | 0 | 0 | 110.9 | L277 I278 A283 L284 I285 | L277-I281 HydrophobicContact CD2-CD1 3.52Å; L277-I281 HydrophobicContact CG-CD1 4.1Å; L277-I281 VanDerWaalsContact O-CG1 3.32Å; L277-I281 WeakPolarHBondContact O-CG1 3.44Å; L277-I281 PolarHBondContact O-N 2.87Å; I278-I281 PolarHBondContact O-N 3.4Å; I281-A283 VanDerWaalsContact C-N 3.33Å; I281-A283 PolarHBondContact O-N 2.99Å; I281-L284 PolarHBondContact O-N 3.38Å; I281-I285 HydrophobicContact CG2-CD1 3.65Å; I281-I285 HydrophobicContact CG2-CG1 4.24Å; I281-I285 VanDerWaalsContact O-CG1 3.31Å; I281-I285 WeakPolarHBondContact O-CG1 3.15Å; I281-I285 PolarHBondContact O-N 3.42Å |
| 282 | A | 93.6 | Very high | 89.5 | Confident | 42 Ų | 42 | 86.3 Ų | 86.3 | 35% | 0.347 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.5 | -41.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I278 M279 I285 T286 | I278-A282 WeakPolarHBondContact O-CB 3.3Å; I278-A282 PolarHBondContact O-N 2.89Å; M279-A282 PolarHBondContact O-N 3.36Å; A282-I285 PolarHBondContact O-N 2.88Å; A282-T286 WeakPolarHBondContact O-CB 3.26Å; A282-T286 VanDerWaalsContact O-CG2 3.25Å; A282-T286 WeakPolarHBondContact O-CG2 3.33Å; A282-T286 PolarHBondContact O-N 3.49Å; A282-T286 PolarHBondContact O-OG1 3.49Å |
| 283 | A | 92.9 | Very high | 87.9 | Confident | 48 Ų | 48 | 87 Ų | 87 | 40% | 0.397 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | M279 V280 I281 T286 T287 | M279-A283 WeakPolarHBondContact O-CB 3.16Å; M279-A283 PolarHBondContact O-N 2.97Å; V280-A283 PolarHBondContact O-N 3.29Å; I281-A283 VanDerWaalsContact C-N 3.33Å; I281-A283 PolarHBondContact O-N 2.99Å; A283-T286 WeakPolarHBondContact CA-OG1 3.17Å; A283-T286 PolarHBondContact O-OG1 2.77Å; A283-T286 VanDerWaalsContact O-OG1 3.08Å; A283-T287 VanDerWaalsContact O-CB 3.27Å; A283-T287 WeakPolarHBondContact O-CB 3.4Å; A283-T287 WeakPolarHBondContact O-CG2 3.35Å; A283-T287 PolarHBondContact O-N 3.45Å; A283-T287 PolarHBondContact O-OG1 3.37Å |
| 284 | L | 92.8 | Very high | 86.2 | Confident | 99 Ų | 99 | 86.9 Ų | 86.9 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.2 | -45.3 | 175.9 | -71.5 | 173.7 | 0 | 0 | 0 | 111.7 | V280 I281 T287 L288 | V280-L284 HydrophobicContact CG1-CD1 4.07Å; V280-L284 HydrophobicContact CG1-CG 4.43Å; V280-L284 WeakPolarHBondContact O-CB 3.12Å; V280-L284 VanDerWaalsContact O-CG 3.3Å; V280-L284 WeakPolarHBondContact O-CG 3.25Å; V280-L284 PolarHBondContact O-N 3.39Å; I281-L284 PolarHBondContact O-N 3.38Å; L284-T287 WeakPolarHBondContact CA-OG1 3.35Å; L284-T287 PolarHBondContact O-N 2.91Å; L284-T287 PolarHBondContact O-OG1 2.79Å; L284-L288 VanDerWaalsContact O-CB 3.25Å; L284-L288 WeakPolarHBondContact O-CB 3.25Å; L284-L288 WeakPolarHBondContact O-CG 3.37Å; L284-L288 PolarHBondContact O-N 3.48Å |
| 285 | I | 92.3 | Very high | 84.2 | Confident | 96 Ų | 96 | 87.1 Ų | 87.1 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 177.9 | -65.8 | 169.2 | 0 | 0 | 0 | 110.3 | I281 A282 T287 L288 V289 | I281-I285 HydrophobicContact CG2-CD1 3.65Å; I281-I285 HydrophobicContact CG2-CG1 4.24Å; I281-I285 VanDerWaalsContact O-CG1 3.31Å; I281-I285 WeakPolarHBondContact O-CG1 3.15Å; I281-I285 PolarHBondContact O-N 3.42Å; A282-I285 PolarHBondContact O-N 2.88Å; I285-T287 PolarHBondContact O-N 2.87Å; I285-L288 PolarHBondContact O-N 3.37Å; I285-V289 HydrophobicContact CG2-CG2 4.24Å; I285-V289 WeakPolarHBondContact O-CB 3.41Å; I285-V289 VanDerWaalsContact O-CG2 3.24Å; I285-V289 WeakPolarHBondContact O-CG2 3.27Å; I285-V289 PolarHBondContact O-N 3.24Å |
| 286 | T | 89.3 | Confident | 82.1 | Confident | 76 Ų | 76 | 91 Ų | 91 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.6 | -39.8 | 178.5 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | A282 A283 V289 L290 | A282-T286 WeakPolarHBondContact O-CB 3.26Å; A282-T286 VanDerWaalsContact O-CG2 3.25Å; A282-T286 WeakPolarHBondContact O-CG2 3.33Å; A282-T286 PolarHBondContact O-N 3.49Å; A282-T286 PolarHBondContact O-OG1 3.49Å; A283-T286 WeakPolarHBondContact CA-OG1 3.17Å; A283-T286 PolarHBondContact O-OG1 2.77Å; A283-T286 VanDerWaalsContact O-OG1 3.08Å; T286-V289 PolarHBondContact O-N 3.45Å; T286-L290 VanDerWaalsContact O-CB 3.27Å; T286-L290 WeakPolarHBondContact O-CB 3.4Å; T286-L290 WeakPolarHBondContact O-CD1 3.42Å; T286-L290 WeakPolarHBondContact O-CG 3.24Å; T286-L290 PolarHBondContact O-N 2.74Å |
| 287 | T | 85.3 | Confident | 80 | Confident | 61 Ų | 61 | 91.2 Ų | 91.2 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -70.5 | -31.7 | 174.5 | 56.3 | 0 | 0 | 0 | 0 | 112.9 | A283 L284 I285 K291 | A283-T287 VanDerWaalsContact O-CB 3.27Å; A283-T287 WeakPolarHBondContact O-CB 3.4Å; A283-T287 WeakPolarHBondContact O-CG2 3.35Å; A283-T287 PolarHBondContact O-N 3.45Å; A283-T287 PolarHBondContact O-OG1 3.37Å; L284-T287 WeakPolarHBondContact CA-OG1 3.35Å; L284-T287 PolarHBondContact O-N 2.91Å; L284-T287 PolarHBondContact O-OG1 2.79Å; I285-T287 PolarHBondContact O-N 2.87Å; T287-K291 WeakPolarHBondContact O-CB 3.42Å; T287-K291 VanDerWaalsContact O-CG 3.24Å; T287-K291 WeakPolarHBondContact O-CG 3.34Å; T287-K291 PolarHBondContact O-N 3.22Å |
| 288 | L | 84.2 | Confident | 78 | Confident | 89 Ų | 89 | 89.2 Ų | 89.2 | 47% | 0.466 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.9 | -42.7 | 170.8 | -74.6 | 170 | 0 | 0 | 0 | 110.9 | L284 I285 K291 N292 | L284-L288 VanDerWaalsContact O-CB 3.25Å; L284-L288 WeakPolarHBondContact O-CB 3.25Å; L284-L288 WeakPolarHBondContact O-CG 3.37Å; L284-L288 PolarHBondContact O-N 3.48Å; I285-L288 PolarHBondContact O-N 3.37Å; L288-K291 PolarHBondContact O-N 2.81Å; L288-N292 WeakPolarHBondContact O-CB 3.31Å; L288-N292 VanDerWaalsContact O-CG 3.25Å; L288-N292 PolarHBondContact O-N 3.36Å; L288-N292 PolarHBondContact O-ND2 2.8Å |
| 289 | V | 86.1 | Confident | 76 | Confident | 83 Ų | 83 | 91.4 Ų | 91.4 | 50% | 0.503 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 110.2 | I285 T286 N292 C293 | I285-V289 HydrophobicContact CG2-CG2 4.24Å; I285-V289 WeakPolarHBondContact O-CB 3.41Å; I285-V289 VanDerWaalsContact O-CG2 3.24Å; I285-V289 WeakPolarHBondContact O-CG2 3.27Å; I285-V289 PolarHBondContact O-N 3.24Å; T286-V289 PolarHBondContact O-N 3.45Å; V289-N292 PolarHBondContact O-N 3.23Å; V289-C293 WeakPolarHBondContact O-CB 3.17Å; V289-C293 PolarHBondContact O-N 3.18Å; V289-C293 PolarHBondContact O-SG 3.47Å |
| 290 | L | 77.3 | Confident | 74.1 | Confident | 111 Ų | 111 | 88.4 Ų | 88.4 | 58% | 0.581 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.6 | -46.5 | 174.6 | -74 | 160.7 | 0 | 0 | 0 | 111.4 | T286 N292 C293 C294 | T286-L290 VanDerWaalsContact O-CB 3.27Å; T286-L290 WeakPolarHBondContact O-CB 3.4Å; T286-L290 WeakPolarHBondContact O-CD1 3.42Å; T286-L290 WeakPolarHBondContact O-CG 3.24Å; T286-L290 PolarHBondContact O-N 2.74Å; L290-N292 PolarHBondContact O-N 3.27Å; L290-C293 PolarHBondContact O-N 3.38Å; L290-C294 WeakPolarHBondContact O-CB 2.88Å; L290-C294 PolarHBondContact O-N 3.19Å; L290-C294 PolarHBondContact O-SG 3.27Å |
| 291 | K | 75.3 | Confident | 72 | Confident | 154 Ų | 154 | 93.4 Ų | 93.4 | 67% | 0.67 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -64.4 | -39.1 | 176.8 | -80.5 | 176.3 | 169.4 | 173.7 | 0 | 112.4 | T287 L288 C294 A295 | T287-K291 WeakPolarHBondContact O-CB 3.42Å; T287-K291 VanDerWaalsContact O-CG 3.24Å; T287-K291 WeakPolarHBondContact O-CG 3.34Å; T287-K291 PolarHBondContact O-N 3.22Å; L288-K291 PolarHBondContact O-N 2.81Å; K291-C294 PolarHBondContact O-N 3.49Å; K291-A295 WeakPolarHBondContact O-CB 3.43Å; K291-A295 PolarHBondContact O-N 3Å |
| 292 | N | 69.4 | Low | 70 | Confident | 94 Ų | 94 | 98.2 Ų | 98.2 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -74 | -36.4 | 176.5 | -74.9 | -55.2 | 0 | 0 | 0 | 111.8 | L288 V289 L290 C294 A295 Q296 | L288-N292 WeakPolarHBondContact O-CB 3.31Å; L288-N292 VanDerWaalsContact O-CG 3.25Å; L288-N292 PolarHBondContact O-N 3.36Å; L288-N292 PolarHBondContact O-ND2 2.8Å; V289-N292 PolarHBondContact O-N 3.23Å; L290-N292 PolarHBondContact O-N 3.27Å; N292-C294 VanDerWaalsContact C-N 3.32Å; N292-C294 PolarHBondContact O-N 3.43Å; N292-A295 PolarHBondContact O-N 3.33Å; N292-Q296 WeakPolarHBondContact O-CB 3.15Å; N292-Q296 PolarHBondContact O-N 3.3Å |
| 293 | C | 58.9 | Low | 67.9 | Low | 76 Ų | 76 | 102.8 Ų | 102.8 | 51% | 0.514 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.8 | -41.1 | 170 | -80.4 | 0 | 0 | 0 | 0 | 110.9 | V289 L290 S297 | V289-C293 WeakPolarHBondContact O-CB 3.17Å; V289-C293 PolarHBondContact O-N 3.18Å; V289-C293 PolarHBondContact O-SG 3.47Å; L290-C293 PolarHBondContact O-N 3.38Å; C293-S297 WeakPolarHBondContact O-CA 3.27Å; C293-S297 WeakPolarHBondContact O-CB 3.06Å; C293-S297 PolarHBondContact O-N 3.08Å |
| 294 | C | 56.1 | Low | 66.1 | Low | 91 Ų | 91 | 103.8 Ų | 103.8 | 62% | 0.615 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.6 | -39.8 | 176.5 | -67.5 | 0 | 0 | 0 | 0 | 112.7 | L290 K291 N292 G298 | L290-C294 WeakPolarHBondContact O-CB 2.88Å; L290-C294 PolarHBondContact O-N 3.19Å; L290-C294 PolarHBondContact O-SG 3.27Å; K291-C294 PolarHBondContact O-N 3.49Å; N292-C294 VanDerWaalsContact C-N 3.32Å; N292-C294 PolarHBondContact O-N 3.43Å; C294-G298 PolarHBondContact O-N 3.48Å |
| 295 | A | 52.2 | Low | 64.1 | Low | 69 Ų | 69 | 105.3 Ų | 105.3 | 57% | 0.57 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.9 | -35.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K291 N292 | K291-A295 WeakPolarHBondContact O-CB 3.43Å; K291-A295 PolarHBondContact O-N 3Å; N292-A295 PolarHBondContact O-N 3.33Å |
| 296 | Q | 51.8 | Low | 62.3 | Low | 164 Ų | 164 | 108.6 Ų | 108.6 | 77% | 0.766 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -81.6 | -31.1 | 177.9 | -167.2 | 159.2 | -11.7 | 0 | 0 | 112.6 | N292 | N292-Q296 WeakPolarHBondContact O-CB 3.15Å; N292-Q296 PolarHBondContact O-N 3.3Å |
| 297 | S | 49.6 | Very low | 60.5 | Low | 76 Ų | 76 | 115.4 Ų | 115.4 | 53% | 0.531 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -75.2 | -32.7 | 172.4 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | C293 | C293-S297 WeakPolarHBondContact O-CA 3.27Å; C293-S297 WeakPolarHBondContact O-CB 3.06Å; C293-S297 PolarHBondContact O-N 3.08Å |
| 298 | G | 52.6 | Low | 58.7 | Low | 55 Ų | 55 | 119.3 Ų | 119.3 | 57% | 0.567 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -70.7 | -29.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | C294 | C294-G298 PolarHBondContact O-N 3.48Å |
| 299 | N | 52.5 | Low | 57.3 | Low | 154 Ų | 154 | 120.3 Ų | 120.3 | 82% | 0.824 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -8.4 | -176 | -153.1 | 36.4 | 0 | 0 | 0 | 114.2 | | |
| 300 | G | 51.5 | Low | 55.6 | Low | 57 Ų | 57 | 122.7 Ų | 122.7 | 59% | 0.588 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -104.3 | -3.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | | |
| 301 | R | 52.9 | Low | 54.3 | Low | 185 Ų | 185 | 125 Ų | 125 | 70% | 0.698 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -101.6 | -4.5 | -166.5 | -128.6 | 178.2 | -172.4 | -110.7 | 5.5 | 115.9 | | |
| 302 | H | 52.9 | Low | 53 | Low | 183 Ų | 183 | 124.9 Ų | 124.9 | 85% | 0.847 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -88.6 | -12.8 | 177.6 | -113.5 | -57.9 | 0 | 0 | 0 | 114.9 | | |
| 303 | N | 50.9 | Low | 52 | Low | 138 Ų | 138 | 127.2 Ų | 127.2 | 74% | 0.738 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -112.9 | 13.8 | -174.8 | -134.8 | -32 | 0 | 0 | 0 | 114.3 | | |
| 304 | S | 54.2 | Low | 51.7 | Low | 68 Ų | 68 | 130.8 Ų | 130.8 | 48% | 0.476 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -105.4 | -23.7 | 175.3 | -171 | 0 | 0 | 0 | 0 | 112.6 | Q306 K308 | S304-Q306 VanDerWaalsContact C-N 3.33Å; S304-Q306 PolarHBondContact O-N 3.08Å; S304-K308 WeakPolarHBondContact O-CB 3.3Å; S304-K308 PolarHBondContact O-N 3.34Å |
| 305 | H | 51.8 | Low | 51.6 | Low | 131 Ų | 131 | 131.2 Ų | 131.2 | 61% | 0.606 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -70.1 | -26.2 | 176.4 | -91.9 | -49.1 | 0 | 0 | 0 | 113.7 | I309 | H305-I309 VanDerWaalsContact O-CD1 3.3Å; H305-I309 WeakPolarHBondContact O-CD1 3.5Å; H305-I309 WeakPolarHBondContact O-CG1 3.35Å |
| 306 | Q | 52.7 | Low | 51.3 | Low | 165 Ų | 165 | 133.2 Ų | 133.2 | 77% | 0.771 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -83.2 | -23.3 | 178.7 | -115 | -175.2 | -11.7 | 0 | 0 | 114.1 | S304 | S304-Q306 VanDerWaalsContact C-N 3.33Å; S304-Q306 PolarHBondContact O-N 3.08Å |
| 307 | R | 52.3 | Low | 51.5 | Low | 220 Ų | 220 | 133.3 Ų | 133.3 | 83% | 0.83 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -96 | -11.8 | 178.6 | -149.6 | 177.2 | -172.7 | -146.2 | -0.5 | 113.8 | | |
| 308 | K | 48.5 | Very low | 51.4 | Low | 143 Ų | 143 | 136.5 Ų | 136.5 | 62% | 0.622 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -98.3 | -15 | 177.4 | -125.8 | 178.5 | -179.6 | -171.2 | 0 | 114.5 | S304 | S304-K308 WeakPolarHBondContact O-CB 3.3Å; S304-K308 PolarHBondContact O-N 3.34Å |
| 309 | I | 55.1 | Low | 51.3 | Low | 110 Ų | 110 | 141.2 Ų | 141.2 | 56% | 0.564 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -71.5 | -37.9 | 170.8 | -74.9 | 168.4 | 0 | 0 | 0 | 110.9 | H305 Q311 E313 | H305-I309 VanDerWaalsContact O-CD1 3.3Å; H305-I309 WeakPolarHBondContact O-CD1 3.5Å; H305-I309 WeakPolarHBondContact O-CG1 3.35Å; I309-Q311 VanDerWaalsContact C-N 3.31Å; I309-Q311 PolarHBondContact O-N 3.46Å; I309-E313 PolarHBondContact O-N 3.02Å |
| 310 | H | 50.2 | Low | 50.9 | Low | 133 Ų | 133 | 140.1 Ų | 140.1 | 62% | 0.616 | 70% | 0.704 | S | S | * | * | H | α-helix | trans | -76 | -14.6 | -178.4 | -157.2 | -64 | 0 | 0 | 0 | 114.2 | | |
| 311 | Q | 48.8 | Very low | 50.7 | Low | 160 Ų | 160 | 145 Ų | 145 | 75% | 0.748 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -103.7 | -8.7 | 179.4 | -142.9 | 178.4 | 26 | 0 | 0 | 113.2 | I309 | I309-Q311 VanDerWaalsContact C-N 3.31Å; I309-Q311 PolarHBondContact O-N 3.46Å |
| 312 | Q | 48.7 | Very low | 50.1 | Low | 151 Ų | 151 | 145.1 Ų | 145.1 | 71% | 0.706 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -96.2 | -10.5 | 172.1 | -165.1 | 172 | -7.8 | 0 | 0 | 112.1 | | |
| 313 | E | 48.9 | Very low | 49.6 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 66% | 0.664 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -17.1 | 177.8 | -161.7 | 160.9 | -171.6 | 0 | 0 | 113.4 | I309 | I309-E313 PolarHBondContact O-N 3.02Š|
| 314 | E | 52 | Low | 49.1 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 71% | 0.71 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -0.2 | 179.5 | -65.1 | 179.9 | -178.4 | 0 | 0 | 114 | | |
| 315 | S | 53.9 | Low | 48.4 | Very low | 100 Ų | 100 | 143.6 Ų | 143.6 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -109.1 | -3.5 | -178.2 | -175.1 | 0 | 0 | 0 | 0 | 114.8 | | |
| 316 | C | 46.4 | Very low | 48.1 | Very low | 110 Ų | 110 | 148.4 Ų | 148.4 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | | | trans | -121.1 | 48.7 | 175.9 | -66.5 | 0 | 0 | 0 | 0 | 111.1 | | |
| 317 | Q | 54.2 | Low | 47.3 | Very low | 167 Ų | 167 | 147 Ų | 147 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | | | trans | -98.5 | 70.3 | 165.6 | -161.6 | 76.3 | 31.8 | 0 | 0 | 109.9 | | |
| 318 | N | 48.2 | Very low | 46.8 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 77% | 0.765 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -173.1 | 141.2 | 154.3 | -133.4 | -64.4 | 0 | 0 | 0 | 111.2 | | |
| 319 | L | 50.1 | Low | 47 | Very low | 153 Ų | 153 | 140.5 Ų | 140.5 | 80% | 0.801 | 76% | 0.76 | S | S | * | * | S | Bend | trans | 76.8 | 66.5 | -176.6 | -58.4 | 109.6 | 0 | 0 | 0 | 116.3 | | |
| 320 | T | 44.7 | Very low | 46.8 | Very low | 132 Ų | 132 | 144.9 Ų | 144.9 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | | | trans | -160.9 | 65.5 | 131 | 17.3 | 0 | 0 | 0 | 0 | 108.9 | F322 | T320-F322 PolarHBondContact O-N 3.39Š|
| 321 | D | 46.3 | Very low | 46.8 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | | | trans | -70.1 | 81.3 | 150.5 | -93.7 | -27.7 | 0 | 0 | 0 | 107.5 | | |
| 322 | F | 41.8 | Very low | 46.5 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 82% | 0.816 | 78% | 0.782 | S | S | * | * | | | trans | -139 | 113 | 151.3 | -75.7 | -70.9 | 0 | 0 | 0 | 107.9 | T320 | T320-F322 PolarHBondContact O-N 3.39Š|
| 323 | T | 41.4 | Very low | 46.7 | Very low | 132 Ų | 132 | 143.6 Ų | 143.6 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | | | trans | -34.4 | 125.8 | 175.4 | 11.7 | 0 | 0 | 0 | 0 | 113.6 | A325 | T323-A325 PolarHBondContact O-N 3.04Š|
| 324 | P | 40.5 | Very low | 46.6 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | | | trans | -69.2 | 104.6 | 169.6 | -12.2 | 26.4 | 0 | 0 | 0 | 109.2 | R326 | P324-R326 PolarHBondContact O-N 3.23Å; P324-R326 VanDerWaalsContact O-N 3.14Å |
| 325 | A | 39.5 | Very low | 46.5 | Very low | 100 Ų | 100 | 143.4 Ų | 143.4 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | | | trans | -66.8 | 109.5 | 164.5 | 0 | 0 | 0 | 0 | 0 | 108.1 | T323 | T323-A325 PolarHBondContact O-N 3.04Š|
| 326 | R | 45.9 | Very low | 46.2 | Very low | 232 Ų | 232 | 142.9 Ų | 142.9 | 88% | 0.875 | 79% | 0.79 | S | S | * | * | | | trans | -50.6 | 145.4 | 159.9 | -76.4 | 177.5 | 165.5 | 91.3 | -1.4 | 109 | P324 | P324-R326 PolarHBondContact O-N 3.23Å; P324-R326 VanDerWaalsContact O-N 3.14Å |
| 327 | V | 36.7 | Very low | 46 | Very low | 136 Ų | 136 | 148.5 Ų | 148.5 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | | | trans | 153.3 | 147.9 | 145 | 161.9 | 0 | 0 | 0 | 0 | 109.3 | | |
| 328 | P | 42 | Very low | 45.9 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | | | | -122.3 | 174.7 | -92.3 | 14.6 | 14 | 0 | 0 | 0 | 111.6 | K330 | P328-K330 PolarHBondContact O-N 2.93Š|
| 329 | S | 50.7 | Low | 45.9 | Very low | 118 Ų | 118 | 147.2 Ų | 147.2 | 83% | 0.825 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -61.4 | 100.8 | 171.8 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | | |
| 330 | K | 51.1 | Low | 45.8 | Very low | 201 Ų | 201 | 145.2 Ų | 145.2 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | | | trans | 156.6 | 81.2 | 149.2 | -98.8 | -177.3 | 165.4 | 179.7 | 0 | 109.8 | P328 | P328-K330 PolarHBondContact O-N 2.93Š|
| 331 | V | 50.6 | Low | 46.1 | Very low | 129 Ų | 129 | 146 Ų | 146 | 78% | 0.782 | 79% | 0.793 | S | S | * | * | | | trans | -145.5 | 121.3 | 150.5 | -173.2 | 0 | 0 | 0 | 0 | 107.3 | | |
| 332 | D | 42.1 | Very low | 46.1 | Very low | 136 Ų | 136 | 147.1 Ų | 147.1 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | | | trans | -63.1 | 143.1 | -174.6 | -76.9 | -50.5 | 0 | 0 | 0 | 113.2 | F334 T335 | D332-F334 PolarHBondContact O-N 3.49Å; D332-T335 PolarHBondContact O-N 3.19Å |
| 333 | I | 53.5 | Low | 45.9 | Very low | 152 Ų | 152 | 144 Ų | 144 | 78% | 0.779 | 79% | 0.793 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -6.4 | -176.2 | -70.1 | 163.7 | 0 | 0 | 0 | 114.1 | | |
| 334 | F | 47.3 | Very low | 45.9 | Very low | 190 Ų | 190 | 143 Ų | 143 | 83% | 0.833 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -0.5 | -176.2 | -70.2 | -76.4 | 0 | 0 | 0 | 115.7 | D332 | D332-F334 PolarHBondContact O-N 3.49Š|
| 335 | T | 48.7 | Very low | 46.2 | Very low | 100 Ų | 100 | 145.1 Ų | 145.1 | 61% | 0.613 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -101.6 | -10.4 | 177.5 | -45.2 | 0 | 0 | 0 | 0 | 113.6 | D332 Y337 | D332-T335 PolarHBondContact O-N 3.19Å; T335-Y337 PolarHBondContact O-N 3Å; T335-Y337 VanDerWaalsContact O-N 3.12Å |
| 336 | A | 47.5 | Very low | 46.7 | Very low | 89 Ų | 89 | 148.5 Ų | 148.5 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.3 | -2.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | | |
| 337 | Y | 43.5 | Very low | 46.4 | Very low | 229 Ų | 229 | 143.6 Ų | 143.6 | 90% | 0.898 | 79% | 0.789 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | 13.8 | -176.7 | -112.5 | -82.1 | 0 | 0 | 0 | 115.1 | T335 | T335-Y337 PolarHBondContact O-N 3Å; T335-Y337 VanDerWaalsContact O-N 3.12Å |
| 338 | N | 50.8 | Low | 46.6 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 65% | 0.647 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -125.1 | 2.6 | -177.5 | -148.2 | 3.2 | 0 | 0 | 0 | 116.3 | | |
| 339 | D | 49.2 | Very low | 46.6 | Very low | 161 Ų | 161 | 149.7 Ų | 149.7 | 86% | 0.861 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -111.4 | 9 | -179.3 | -84 | -17.2 | 0 | 0 | 0 | 114.8 | | |
| 340 | S | 48.9 | Very low | 46 | Very low | 111 Ų | 111 | 151.1 Ų | 151.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -108.1 | 13.8 | 175.9 | -157.4 | 0 | 0 | 0 | 0 | 114.5 | | |
| 341 | L | 50.5 | Low | 45.7 | Very low | 149 Ų | 149 | 145.9 Ų | 145.9 | 78% | 0.78 | 80% | 0.796 | S | S | * | * | S | Bend | trans | -92.2 | 11.3 | 176.2 | -75.3 | 172.4 | 0 | 0 | 0 | 114.2 | | |
| 342 | Q | 46.8 | Very low | 45.3 | Very low | 184 Ų | 184 | 145.6 Ų | 145.6 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | | | trans | -129.4 | 64.3 | 175 | -73.3 | 177.1 | 8.3 | 0 | 0 | 111.6 | | |
| 343 | C | 36.1 | Very low | 45.2 | Very low | 120 Ų | 120 | 144.5 Ų | 144.5 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | | | trans | -132.2 | 95.7 | 150.3 | -96.4 | 0 | 0 | 0 | 0 | 108.2 | | |
| 344 | S | 41.6 | Very low | 44.8 | Very low | 110 Ų | 110 | 144.1 Ų | 144.1 | 77% | 0.769 | 79% | 0.793 | S | S | * | * | | | trans | -2.4 | 122.8 | 150 | 48.3 | 0 | 0 | 0 | 0 | 116.5 | | |
| 345 | H | 47.1 | Very low | 44.2 | Very low | 172 Ų | 172 | 145.8 Ų | 145.8 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | S | Bend | trans | 13 | 132.6 | 143.3 | -113.5 | -104.7 | 0 | 0 | 0 | 118.2 | | |
| 346 | E | 50.1 | Low | 43.8 | Very low | 170 Ų | 170 | 146 Ų | 146 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | | | trans | 82.7 | 84.2 | 167.4 | -65.6 | 163.7 | 176.4 | 0 | 0 | 116.7 | | |
| 347 | C | 40.5 | Very low | 43.6 | Very low | 129 Ų | 129 | 149.1 Ų | 149.1 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | | | | -159.4 | 92.3 | 123.2 | -113 | 0 | 0 | 0 | 0 | 111 | | |
| 348 | V | 41.1 | Very low | 43.9 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | | | trans | 36.9 | 112.7 | 141.4 | -171.2 | 0 | 0 | 0 | 0 | 118.6 | | |
| 349 | R | 41.4 | Very low | 43.5 | Very low | 232 Ų | 232 | 148.4 Ų | 148.4 | 88% | 0.875 | 80% | 0.804 | S | S | * | * | | | trans | -54.1 | 142.4 | 170 | -63.1 | -179.5 | 163.2 | 163.2 | -3.7 | 113.5 | | |
| 350 | T | 37.8 | Very low | 43.4 | Very low | 149 Ų | 149 | 148.1 Ų | 148.1 | 91% | 0.914 | 80% | 0.801 | S | S | * | * | | | trans | -116.7 | 118.7 | 140.3 | 25.9 | 0 | 0 | 0 | 0 | 108.3 | | |
| 351 | A | 45.5 | Very low | 43.3 | Very low | 90 Ų | 90 | 150.9 Ų | 150.9 | 74% | 0.744 | 80% | 0.802 | S | S | * | * | | | trans | -84.9 | 139.2 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | | |
| 352 | V | 40.5 | Very low | 42.6 | Very low | 124 Ų | 124 | 153.1 Ų | 153.1 | 75% | 0.752 | 81% | 0.808 | S | S | * | * | | | trans | -59.9 | 126.8 | 163.8 | 175.9 | 0 | 0 | 0 | 0 | 108.4 | I354 | V352-I354 PolarHBondContact O-N 3.39Š|
| 353 | P | 41.5 | Very low | 42.3 | Very low | 113 Ų | 113 | 150.8 Ų | 150.8 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | | | trans | -74.5 | 104.3 | 176.5 | 27.9 | -30.1 | 0 | 0 | 0 | 110 | | |
| 354 | I | 44.4 | Very low | 42.8 | Very low | 143 Ų | 143 | 150.4 Ų | 150.4 | 73% | 0.733 | 80% | 0.802 | S | S | * | * | | | trans | -78.3 | 118.7 | 157.8 | -61.8 | 174.6 | 0 | 0 | 0 | 105.8 | V352 T356 | V352-I354 PolarHBondContact O-N 3.39Å; I354-T356 PolarHBondContact O-N 2.9Å |
| 355 | Y | 34.8 | Very low | 42.7 | Very low | 226 Ų | 226 | 151.7 Ų | 151.7 | 89% | 0.886 | 81% | 0.805 | S | S | * | * | | | trans | -72.1 | 114.3 | 172.4 | -101.8 | -91.8 | 0 | 0 | 0 | 109.1 | | |
| 356 | T | 40.2 | Very low | 42 | Very low | 103 Ų | 103 | 154 Ų | 154 | 63% | 0.632 | 81% | 0.808 | S | S | * | * | | | trans | -83.8 | 132.6 | 173.3 | 45.4 | 0 | 0 | 0 | 0 | 110.8 | I354 E358 | I354-T356 PolarHBondContact O-N 2.9Å; T356-E358 WeakPolarHBondContact CB-OE1 3.32Å; T356-E358 PolarHBondContact O-N 3.14Å |
| 357 | D | 43.8 | Very low | 41.3 | Very low | 156 Ų | 156 | 155.9 Ų | 155.9 | 83% | 0.834 | 81% | 0.814 | S | S | * | * | | | trans | -90.9 | 80.2 | -176.1 | -172.8 | 17 | 0 | 0 | 0 | 109.4 | | |
| 358 | E | 49.6 | Very low | 41.3 | Very low | 146 Ų | 146 | 156.1 Ų | 156.1 | 68% | 0.682 | 81% | 0.812 | S | S | * | * | | | trans | -166.6 | 76.9 | 179.3 | 37.8 | -128.1 | 143.1 | 0 | 0 | 114.3 | T356 | T356-E358 WeakPolarHBondContact CB-OE1 3.32Å; T356-E358 PolarHBondContact O-N 3.14Å |
| 359 | M | 41.4 | Very low | 41.1 | Very low | 189 Ų | 189 | 154.6 Ų | 154.6 | 93% | 0.931 | 81% | 0.814 | S | S | * | * | | | trans | -143.3 | 36.6 | 155.7 | -75.4 | -164 | 70.9 | 0 | 0 | 112.8 | Q361 | M359-Q361 PolarHBondContact O-N 3.17Š|
| 360 | I | 48.8 | Very low | 40.8 | Very low | 154 Ų | 154 | 152.6 Ų | 152.6 | 79% | 0.79 | 81% | 0.808 | S | S | * | * | | | trans | -77.7 | 93.9 | 156 | -57.8 | 174.3 | 0 | 0 | 0 | 107.1 | | |
| 361 | Q | 46.5 | Very low | 40.6 | Very low | 170 Ų | 170 | 153.3 Ų | 153.3 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | | | trans | 163 | 110.6 | 148.4 | -93.6 | 163.1 | 69.4 | 0 | 0 | 109 | M359 | M359-Q361 PolarHBondContact O-N 3.17Š|
| 362 | Q | 35.7 | Very low | 40.1 | Very low | 195 Ų | 195 | 152.1 Ų | 152.1 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | | | trans | 169.3 | 104.6 | 131.4 | -89.8 | 163.1 | 19.3 | 0 | 0 | 111.5 | | |
| 363 | T | 40.1 | Very low | 39.7 | Very low | 136 Ų | 136 | 152.5 Ų | 152.5 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | | | trans | -73.3 | 147.9 | 161.5 | 37.3 | 0 | 0 | 0 | 0 | 111.9 | | |
| 364 | P | 45.5 | Very low | 39.4 | Very low | 111 Ų | 111 | 159 Ų | 159 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | | | trans | -113.9 | 133.2 | 151.9 | 29.8 | -17.1 | 0 | 0 | 0 | 113.1 | | |
| 365 | V | 40.3 | Very low | 39.2 | Very low | 138 Ų | 138 | 157.5 Ų | 157.5 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 132.6 | 179.6 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | | |
| 366 | Y | 33.3 | Very low | 39.1 | Very low | 219 Ų | 219 | 151.7 Ų | 151.7 | 86% | 0.859 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -102.1 | 128.9 | 167.7 | -88.2 | -88.1 | 0 | 0 | 0 | 112 | | |
| 367 | K | 35.5 | Very low | 39.1 | Very low | 210 Ų | 210 | 152 Ų | 152 | 91% | 0.913 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 130 | -175.2 | -160.4 | 178.4 | -175.1 | -177.9 | 0 | 111 | | |
| 368 | T | 39.4 | Very low | 39 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 82% | 0.822 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 125.7 | 179.9 | 52.2 | 0 | 0 | 0 | 0 | 111.9 | | |
| 369 | A | 36.8 | Very low | 38.5 | Very low | 109 Ų | 109 | 151.4 Ų | 151.4 | 90% | 0.901 | 81% | 0.808 | S | S | * | * | | | trans | -120.2 | 106.4 | 158 | 0 | 0 | 0 | 0 | 0 | 108.3 | | |
| 370 | Y | 35.8 | Very low | 38.7 | Very low | 189 Ų | 189 | 153.6 Ų | 153.6 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | | | trans | -93.4 | 124.8 | -177.1 | 175.5 | -92 | 0 | 0 | 0 | 109.5 | | |
| 371 | N | 33.9 | Very low | 38.4 | Very low | 165 Ų | 165 | 154.9 Ų | 154.9 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | | | trans | -161.5 | 120.2 | 149.6 | -122.6 | -22.1 | 0 | 0 | 0 | 111.5 | | |
| 372 | G | 33.8 | Very low | 38.2 | Very low | 65 Ų | 65 | 153.7 Ų | 153.7 | 67% | 0.67 | 81% | 0.807 | S | S | * | * | | | trans | 110.3 | 62.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 119.3 | | |
| 373 | N | 33.4 | Very low | 38.4 | Very low | 132 Ų | 132 | 152.4 Ų | 152.4 | 71% | 0.706 | 81% | 0.805 | S | S | * | * | | | trans | 22.9 | 109.1 | 144.9 | -59.6 | -3 | 0 | 0 | 0 | 121.2 | | |
| 374 | R | 35.5 | Very low | 38.5 | Very low | 249 Ų | 249 | 151.2 Ų | 151.2 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | | | | -179.5 | 160 | 126.1 | -106.3 | -172.6 | 173 | 167.3 | -1 | 111.8 | | |
| 375 | P | 38.3 | Very low | 38.1 | Very low | 111 Ų | 111 | 152.3 Ų | 152.3 | 72% | 0.721 | 80% | 0.804 | S | S | * | * | | | trans | -83.2 | 155.8 | -134 | 33.8 | -37.8 | 0 | 0 | 0 | 116.6 | | |
| 376 | S | 33.6 | Very low | 38.3 | Very low | 105 Ų | 105 | 149.6 Ų | 149.6 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | | | trans | -21.8 | 119.6 | 172.5 | 47.9 | 0 | 0 | 0 | 0 | 118.8 | | |
| 377 | P | 39.4 | Very low | 38.5 | Very low | 110 Ų | 110 | 148.8 Ų | 148.8 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | | | trans | -84.2 | 122.8 | 152 | 32.7 | -24 | 0 | 0 | 0 | 108.5 | E379 | P377-E379 PolarHBondContact O-N 3.12Š|
| 378 | T | 42.2 | Very low | 38.6 | Very low | 144 Ų | 144 | 145.2 Ų | 145.2 | 88% | 0.883 | 79% | 0.793 | S | S | * | * | | | trans | -72.8 | 86.3 | 165.9 | -59.6 | 0 | 0 | 0 | 0 | 107.3 | | |
| 379 | E | 40.4 | Very low | 38.6 | Very low | 144 Ų | 144 | 143.7 Ų | 143.7 | 67% | 0.673 | 79% | 0.788 | S | S | * | * | | | trans | -108.4 | 95.7 | 171.7 | -169.1 | 175.3 | -178.3 | 0 | 0 | 108.3 | P377 Q381 | P377-E379 PolarHBondContact O-N 3.12Å; E379-Q381 PolarHBondContact O-N 3.03Å |
| 380 | R | 45.5 | Very low | 39.1 | Very low | 235 Ų | 235 | 147.7 Ų | 147.7 | 89% | 0.887 | 79% | 0.788 | S | S | * | * | | | trans | -72 | 101 | 155 | -78.9 | -174.4 | 173 | 179.9 | -2 | 107.1 | | |
| 381 | Q | 41.2 | Very low | 39.5 | Very low | 181 Ų | 181 | 146.5 Ų | 146.5 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | | | trans | 29.6 | 114.5 | 137.4 | -69.4 | 171.1 | -8.8 | 0 | 0 | 117.8 | E379 | E379-Q381 PolarHBondContact O-N 3.03Š|
| 382 | L | 42.2 | Very low | 39.8 | Very low | 145 Ų | 145 | 148.2 Ų | 148.2 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | | | trans | -54.6 | 161.1 | 159.7 | -63.9 | 113 | 0 | 0 | 0 | 113.4 | | |
| 383 | I | 39.4 | Very low | 39.9 | Very low | 169 Ų | 169 | 152.8 Ų | 152.8 | 87% | 0.867 | 78% | 0.782 | S | S | * | * | | | | -170.8 | 151.3 | 126.9 | -94.4 | 158.7 | 0 | 0 | 0 | 109.3 | | |
| 384 | P | 42.3 | Very low | 40.3 | Very low | 110 Ų | 110 | 155.9 Ų | 155.9 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | | | trans | -100.4 | 152 | -132.4 | 37.6 | -32.9 | 0 | 0 | 0 | 114.1 | A386 | P384-A386 PolarHBondContact O-N 3.19Å; P384-A386 VanDerWaalsContact O-N 3.17Å |
| 385 | V | 38.5 | Very low | 40.7 | Very low | 134 Ų | 134 | 150.6 Ų | 150.6 | 81% | 0.812 | 78% | 0.782 | S | S | * | * | | | trans | -73.5 | 104.1 | 167.7 | -177.9 | 0 | 0 | 0 | 0 | 107.8 | F387 | V385-F387 PolarHBondContact O-N 2.95Š|
| 386 | A | 43.1 | Very low | 40.7 | Very low | 81 Ų | 81 | 150.4 Ų | 150.4 | 67% | 0.669 | 78% | 0.783 | S | S | * | * | | | trans | -63.3 | 116.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | P384 V388 | P384-A386 PolarHBondContact O-N 3.19Å; P384-A386 VanDerWaalsContact O-N 3.17Å; A386-V388 PolarHBondContact O-N 3.03Å |
| 387 | F | 38.9 | Very low | 40.9 | Very low | 202 Ų | 202 | 155.5 Ų | 155.5 | 89% | 0.886 | 82% | 0.816 | S | S | * | * | | | trans | -60.9 | 101.9 | 163.2 | -80.1 | -95.4 | 0 | 0 | 0 | 108.4 | V385 S389 | V385-F387 PolarHBondContact O-N 2.95Å; F387-S389 VanDerWaalsContact C-N 3.34Å; F387-S389 PolarHBondContact O-N 3.07Å |
| 388 | V | 37.6 | Very low | 40.9 | Very low | 135 Ų | 135 | 157.8 Ų | 157.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | | | trans | -80 | 92.1 | 162.8 | 177.5 | 0 | 0 | 0 | 0 | 106.2 | A386 E390 | A386-V388 PolarHBondContact O-N 3.03Å; V388-E390 PolarHBondContact O-N 3.29Å |
| 389 | S | 39.2 | Very low | 40.9 | Very low | 103 Ų | 103 | 158.5 Ų | 158.5 | 72% | 0.72 | 82% | 0.818 | S | S | * | * | | | trans | -68.7 | 124.7 | 164.1 | 49 | 0 | 0 | 0 | 0 | 108.7 | F387 K391 | F387-S389 VanDerWaalsContact C-N 3.34Å; F387-S389 PolarHBondContact O-N 3.07Å; S389-K391 VanDerWaalsContact C-N 3.35Å; S389-K391 PolarHBondContact O-N 3.42Å |
| 390 | E | 47.4 | Very low | 40.9 | Very low | 193 Ų | 193 | 159.3 Ų | 159.3 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | | | trans | -61.3 | 91.3 | 166.9 | -64.7 | 176 | 157 | 0 | 0 | 109.7 | V388 | V388-E390 PolarHBondContact O-N 3.29Š|
| 391 | K | 44.1 | Very low | 40.6 | Very low | 163 Ų | 163 | 154.8 Ų | 154.8 | 71% | 0.709 | 82% | 0.822 | S | S | * | * | | | trans | -171.6 | 129.1 | 148.8 | -131.1 | 168.7 | 178.2 | 173.5 | 0 | 111.8 | S389 | S389-K391 VanDerWaalsContact C-N 3.35Å; S389-K391 PolarHBondContact O-N 3.42Å |
| 392 | W | 39.2 | Very low | 40.6 | Very low | 201 Ų | 201 | 153.2 Ų | 153.2 | 76% | 0.761 | 82% | 0.821 | S | S | * | * | | | trans | 112.8 | 131.5 | 151.6 | -59 | 105.8 | 0 | 0 | 0 | 118.5 | | |
| 393 | F | 36.2 | Very low | 40.5 | Very low | 161 Ų | 161 | 153.7 Ų | 153.7 | 71% | 0.706 | 83% | 0.825 | S | S | * | * | | | trans | 83.8 | 83.7 | 163.4 | -69.8 | -75.9 | 0 | 0 | 0 | 118.7 | I395 | F393-I395 HydrophobicContact CB-CG1 4.36Å; F393-I395 HydrophobicContact CD1-CG1 4.44Å; F393-I395 PolarHBondContact O-N 3.22Å |
| 394 | E | 41.7 | Very low | 40.6 | Very low | 197 Ų | 197 | 152.6 Ų | 152.6 | 92% | 0.921 | 82% | 0.822 | S | S | * | * | | | | -37.1 | 118.3 | 123.9 | -74.9 | 174.8 | 145.9 | 0 | 0 | 110.9 | | |
| 395 | I | 45.1 | Very low | 40.4 | Very low | 139 Ų | 139 | 155.9 Ų | 155.9 | 71% | 0.713 | 83% | 0.83 | S | S | * | * | | | trans | -135.6 | 105.1 | 149.6 | -59.1 | 178.7 | 0 | 0 | 0 | 107.6 | F393 | F393-I395 HydrophobicContact CB-CG1 4.36Å; F393-I395 HydrophobicContact CD1-CG1 4.44Å; F393-I395 PolarHBondContact O-N 3.22Å |
| 396 | S | 37.6 | Very low | 40.6 | Very low | 107 Ų | 107 | 157.8 Ų | 157.8 | 75% | 0.748 | 83% | 0.832 | S | S | * | * | | | trans | 30.2 | 125.6 | 139.9 | -46.9 | 0 | 0 | 0 | 0 | 121.5 | | |
| 397 | C | 37.1 | Very low | 40.4 | Very low | 211 Ų | 211 | 164.7 Ų | 164.7 | 100% | 1.426 | 85% | 0.846 | S | S | * | * | | | | -155.9 | 0 | 124.7 | -97.5 | 0 | 0 | 0 | 0 | 109.8 | | |