| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.4 | Very low | 29.2 | Very low | 249 Ų | 249 | 149.1 Ų | 149.1 | 100% | 1.227 | 82% | 0.817 | S | S | * | * | 0 | 118.2 | 0 | -68.8 | 175.5 | 172.3 | 0 | 0 | 106.1 | |||||
| 2 | A | 31.8 | Very low | 29 | Very low | 86 Ų | 86 | 153.9 Ų | 153.9 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | cis | -153.4 | 147 | 15.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 3 | T | 29.7 | Very low | 28.9 | Very low | 125 Ų | 125 | 156.5 Ų | 156.5 | 77% | 0.767 | 83% | 0.827 | S | S | * | * | trans | 40.5 | 132 | 143.9 | 56.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 4 | K | 32.1 | Very low | 28.8 | Very low | 186 Ų | 186 | 154.8 Ų | 154.8 | 81% | 0.809 | 82% | 0.819 | S | S | * | * | cis | -172.2 | 140.9 | 34.6 | -119.5 | 162.6 | -177 | -179.3 | 0 | 109.5 | ||||
| 5 | N | 28.9 | Very low | 28.9 | Very low | 157 Ų | 157 | 159.5 Ų | 159.5 | 84% | 0.84 | 82% | 0.821 | S | S | * | * | trans | 26 | 145.7 | 135.8 | -70.6 | 4.3 | 0 | 0 | 0 | 120.4 | ||||
| 6 | C | 28.2 | Very low | 28.9 | Very low | 107 Ų | 107 | 164.4 Ų | 164.4 | 72% | 0.723 | 83% | 0.826 | S | S | * | * | cis | -175.4 | 135.8 | 1.8 | 171.7 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 7 | S | 28 | Very low | 28.9 | Very low | 101 Ų | 101 | 165.1 Ų | 165.1 | 71% | 0.706 | 83% | 0.826 | S | S | * | * | trans | 33.3 | 120.2 | 144.5 | -44.9 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 8 | Q | 28.2 | Very low | 28.9 | Very low | 181 Ų | 181 | 163.7 Ų | 163.7 | 85% | 0.846 | 83% | 0.828 | S | S | * | * | trans | 7.9 | 129.6 | 131.5 | -61.2 | 173 | -18 | 0 | 0 | 119.1 | ||||
| 9 | N | 25.7 | Very low | 28.8 | Very low | 145 Ų | 145 | 163.5 Ų | 163.5 | 78% | 0.775 | 83% | 0.829 | S | S | * | * | -178.1 | 152.5 | 98.3 | -120.9 | -10.5 | 0 | 0 | 0 | 115.3 | |||||
| 10 | T | 26.4 | Very low | 28.8 | Very low | 117 Ų | 117 | 161.5 Ų | 161.5 | 72% | 0.718 | 83% | 0.829 | S | S | * | * | trans | 76.1 | 108 | 149.6 | 54.3 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 11 | E | 28.2 | Very low | 28.8 | Very low | 186 Ų | 186 | 158.8 Ų | 158.8 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | trans | 21 | 127.9 | 132.9 | -65.4 | -178 | 154.5 | 0 | 0 | 121.6 | ||||
| 12 | K | 26.7 | Very low | 28.7 | Very low | 207 Ų | 207 | 152.6 Ų | 152.6 | 90% | 0.9 | 80% | 0.801 | S | S | * | * | -161.5 | 131.5 | 117.3 | -110.9 | 172.3 | -175.9 | 177.9 | 0 | 112.5 | |||||
| 13 | H | 26.9 | Very low | 28.7 | Very low | 187 Ų | 187 | 157.8 Ų | 157.8 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | trans | -55.7 | 130.4 | 177.8 | -98.6 | -91.2 | 0 | 0 | 0 | 113.3 | ||||
| 14 | D | 27.6 | Very low | 28.6 | Very low | 133 Ų | 133 | 159.7 Ų | 159.7 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | -110.2 | 154.9 | 167.5 | -151.2 | -8.4 | 0 | 0 | 0 | 110.8 | ||||
| 15 | R | 31 | Very low | 28.5 | Very low | 226 Ų | 226 | 157 Ų | 157 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -43.2 | 133.3 | -167.6 | -68 | 155.7 | 166.3 | 162.9 | -4.6 | 115.5 | ||||
| 16 | R | 28.8 | Very low | 28.6 | Very low | 237 Ų | 237 | 158.3 Ų | 158.3 | 89% | 0.894 | 82% | 0.816 | S | S | * | * | trans | -100.7 | 106.7 | 164.1 | -82.4 | -176.6 | 177.6 | 171.9 | -0 | 110.1 | ||||
| 17 | E | 28.5 | Very low | 28.8 | Very low | 176 Ų | 176 | 162 Ų | 162 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -66 | 139.2 | 161.5 | -70.6 | 172.4 | 149.3 | 0 | 0 | 110.1 | N19 | E17-N19 PolarHBondContact O-N 3.25Š| ||
| 18 | T | 29.6 | Very low | 29 | Very low | 141 Ų | 141 | 166.9 Ų | 166.9 | 87% | 0.865 | 83% | 0.831 | S | S | * | * | trans | -79.9 | 108.2 | 177.7 | 33.9 | 0 | 0 | 0 | 0 | 110.4 | C20 | T18-C20 PolarHBondContact O-N 3.46Š| ||
| 19 | N | 27.3 | Very low | 29.5 | Very low | 160 Ų | 160 | 163.6 Ų | 163.6 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | trans | -79.8 | 112 | 174.1 | -82.5 | -36.2 | 0 | 0 | 0 | 111.1 | E17 S21 | E17-N19 PolarHBondContact O-N 3.25Å; N19-S21 PolarHBondContact O-N 3.4Å | ||
| 20 | C | 28.1 | Very low | 29.9 | Very low | 122 Ų | 122 | 164.5 Ų | 164.5 | 82% | 0.824 | 83% | 0.831 | S | S | * | * | trans | -67.4 | 117 | 162.4 | -92.1 | 0 | 0 | 0 | 0 | 110 | T18 V22 | T18-C20 PolarHBondContact O-N 3.46Å; C20-V22 PolarHBondContact O-N 3.21Å; C20-V22 VanDerWaalsContact O-N 3.14Å | ||
| 21 | S | 28 | Very low | 30.7 | Very low | 105 Ų | 105 | 163.4 Ų | 163.4 | 73% | 0.734 | 83% | 0.833 | S | S | * | * | trans | -73.8 | 100.1 | 172.5 | 56.2 | 0 | 0 | 0 | 0 | 110.7 | N19 | N19-S21 PolarHBondContact O-N 3.4Š| ||
| 22 | V | 34.1 | Very low | 31.5 | Very low | 120 Ų | 120 | 162.4 Ų | 162.4 | 73% | 0.727 | 83% | 0.834 | S | S | * | * | trans | -84.4 | 120.4 | 170.2 | 177.9 | 0 | 0 | 0 | 0 | 108.8 | C20 L24 | C20-V22 PolarHBondContact O-N 3.21Å; C20-V22 VanDerWaalsContact O-N 3.14Å; V22-L24 PolarHBondContact O-N 3.37Å | ||
| 23 | F | 30.3 | Very low | 32.2 | Very low | 194 Ų | 194 | 159.5 Ų | 159.5 | 85% | 0.851 | 82% | 0.823 | S | S | * | * | trans | -68 | 113.7 | 171.3 | -71.8 | -92.9 | 0 | 0 | 0 | 109.6 | C25 | F23-C25 PolarHBondContact O-N 2.76Š| ||
| 24 | L | 29.2 | Very low | 33.1 | Very low | 166 Ų | 166 | 156 Ų | 156 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | trans | -79 | 102.7 | 172.2 | -77.3 | 155.1 | 0 | 0 | 0 | 109.4 | V22 | V22-L24 PolarHBondContact O-N 3.37Š| ||
| 25 | C | 29.1 | Very low | 34.2 | Very low | 130 Ų | 130 | 155.4 Ų | 155.4 | 88% | 0.878 | 82% | 0.818 | S | S | * | * | trans | -79.1 | 120.5 | 156.4 | -87.1 | 0 | 0 | 0 | 0 | 108.3 | F23 E27 | F23-C25 PolarHBondContact O-N 2.76Å; C25-E27 PolarHBondContact O-N 3.17Å | ||
| 26 | H | 30.7 | Very low | 35.3 | Very low | 184 Ų | 184 | 148.1 Ų | 148.1 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | -92.5 | 95.2 | 179.2 | -153.6 | 56.9 | 0 | 0 | 0 | 109.4 | ||||
| 27 | E | 32.7 | Very low | 36.7 | Very low | 184 Ų | 184 | 142.7 Ų | 142.7 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -126.9 | 131.5 | 159.8 | -85.2 | -175.1 | 153.1 | 0 | 0 | 108.6 | C25 | C25-E27 PolarHBondContact O-N 3.17Š| ||
| 28 | K | 32.8 | Very low | 39.1 | Very low | 203 Ų | 203 | 137.8 Ų | 137.8 | 88% | 0.883 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 131.8 | -176.2 | -79.1 | 177.7 | 173.8 | 176.6 | 0 | 110.5 | ||
| 29 | P | 37.2 | Very low | 41.3 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 124.7 | 176.6 | 32 | -28.7 | 0 | 0 | 0 | 110.3 | A31 | P29-A31 PolarHBondContact O-N 3.46Š|
| 30 | D | 35 | Very low | 44.1 | Very low | 165 Ų | 165 | 129.2 Ų | 129.2 | 88% | 0.882 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -67 | 122 | 154.1 | -84 | -30.3 | 0 | 0 | 0 | 108 | N32 | D30-N32 PolarHBondContact O-N 2.85Š|
| 31 | A | 42.8 | Very low | 47 | Very low | 93 Ų | 93 | 127.7 Ų | 127.7 | 77% | 0.769 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 92.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | P29 | P29-A31 PolarHBondContact O-N 3.46Š|
| 32 | N | 45.2 | Very low | 50 | Low | 165 Ų | 165 | 124.7 Ų | 124.7 | 88% | 0.882 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -179.6 | 22.9 | 148.2 | -97.3 | -8.6 | 0 | 0 | 0 | 117 | D30 | D30-N32 PolarHBondContact O-N 2.85Š|
| 33 | Q | 42.4 | Very low | 52.9 | Low | 147 Ų | 147 | 119.2 Ų | 119.2 | 69% | 0.687 | 65% | 0.647 | S | S | * | * | S | Bend | trans | -124.5 | 138.6 | 169.5 | -87.8 | 179 | -0.6 | 0 | 0 | 112.1 | V35 | Q33-V35 PolarHBondContact O-N 2.81Å; Q33-V35 VanDerWaalsContact O-N 3.16Å |
| 34 | P | 44.5 | Very low | 55.8 | Low | 114 Ų | 114 | 112 Ų | 112 | 74% | 0.74 | 62% | 0.616 | S | S | * | * | trans | -62.7 | 121.9 | 171.3 | 26.7 | -30.7 | 0 | 0 | 0 | 107.8 | I36 | P34-I36 VanDerWaalsContact C-N 3.32Å; P34-I36 PolarHBondContact O-N 2.66Å | ||
| 35 | V | 51.3 | Low | 58.8 | Low | 120 Ų | 120 | 108.8 Ų | 108.8 | 73% | 0.727 | 59% | 0.592 | S | S | * | * | trans | -67.4 | 93 | 177.3 | -178.7 | 0 | 0 | 0 | 0 | 107.5 | Q33 C37 | Q33-V35 PolarHBondContact O-N 2.81Å; Q33-V35 VanDerWaalsContact O-N 3.16Å; V35-C37 PolarHBondContact O-N 3.1Å; V35-C37 VanDerWaalsContact O-N 3.14Å | ||
| 36 | I | 54 | Low | 61.9 | Low | 72 Ų | 72 | 102.6 Ų | 102.6 | 37% | 0.369 | 55% | 0.55 | S | S | . | . | trans | -74 | 103.2 | 171 | -60.4 | 176.8 | 0 | 0 | 0 | 106.5 | P34 N38 F41 F42 | P34-I36 VanDerWaalsContact C-N 3.32Å; P34-I36 PolarHBondContact O-N 2.66Å; I36-N38 WeakPolarHBondContact CG2-O 3.48Å; I36-N38 PolarHBondContact O-N 3.25Å; I36-F41 HydrophobicContact CG2-CB 3.39Å; I36-F41 HydrophobicContact CG2-CD1 4.08Å; I36-F41 HydrophobicContact CG2-CG 3.78Å; I36-F42 HydrophobicContact CD1-CD2 4.28Å; I36-F42 HydrophobicContact CD1-CE2 3.33Å; I36-F42 HydrophobicContact CD1-CZ 3.55Å | ||
| 37 | C | 58.8 | Low | 64.9 | Low | 124 Ų | 124 | 95.4 Ų | 95.4 | 84% | 0.838 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -65.2 | -7 | -175.7 | -60.9 | 0 | 0 | 0 | 0 | 114.7 | V35 | V35-C37 PolarHBondContact O-N 3.1Å; V35-C37 VanDerWaalsContact O-N 3.14Å |
| 38 | N | 77.5 | Confident | 67.8 | Low | 73 Ų | 73 | 93 Ų | 93 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | trans | -119.3 | 113 | 173.6 | 178.9 | 1.2 | 0 | 0 | 0 | 109.9 | I36 D40 F41 | I36-N38 WeakPolarHBondContact CG2-O 3.48Å; I36-N38 PolarHBondContact O-N 3.25Å; N38-D40 PolarHBondContact O-N 2.66Å; N38-D40 PolarHBondContact OD1-N 3.16Å; N38-F41 HydrophobicContact CB-CB 4.19Å; N38-F41 VanDerWaalsContact O-CB 3.28Å; N38-F41 WeakPolarHBondContact O-CB 3.45Å; N38-F41 PolarHBondContact O-N 2.93Å | ||
| 39 | P | 76.9 | Confident | 70.7 | Confident | 105 Ų | 105 | 87.8 Ų | 87.8 | 68% | 0.682 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -16.1 | -179.7 | 28 | -36.1 | 0 | 0 | 0 | 113.5 | ||
| 40 | D | 85.3 | Confident | 73.5 | Confident | 15 Ų | 15 | 85.6 Ų | 85.6 | 8% | 0.08 | 46% | 0.462 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | 13.4 | 179.4 | -64.7 | -6.1 | 0 | 0 | 0 | 112 | N38 F42 V43 E44 A303 K308 | N38-D40 PolarHBondContact O-N 2.66Å; N38-D40 PolarHBondContact OD1-N 3.16Å; D40-F42 PolarHBondContact O-N 2.93Å; D40-V43 WeakPolarHBondContact O-CB 3.12Å; D40-V43 PolarHBondContact O-N 3.35Å; D40-E44 PolarHBondContact O-N 3.46Å; D40-A303 PolarHBondContact OD2-N 3.37Å; D40-K308 WeakPolarHBondContact OD1-CE 3.33Å; D40-K308 IonicContact OD1-NZ 3.65Å; D40-K308 PolarHBondContact OD1-NZ 3.31Å |
| 41 | F | 89.6 | Confident | 76.3 | Confident | 90 Ų | 90 | 81 Ų | 81 | 40% | 0.395 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -52.2 | -51.2 | -177.6 | 174.4 | -99.9 | 0 | 0 | 0 | 113.4 | I36 N38 V43 E44 R45 | I36-F41 HydrophobicContact CG2-CB 3.39Å; I36-F41 HydrophobicContact CG2-CD1 4.08Å; I36-F41 HydrophobicContact CG2-CG 3.78Å; N38-F41 HydrophobicContact CB-CB 4.19Å; N38-F41 VanDerWaalsContact O-CB 3.28Å; N38-F41 WeakPolarHBondContact O-CB 3.45Å; N38-F41 PolarHBondContact O-N 2.93Å; F41-V43 PolarHBondContact O-N 2.93Å; F41-E44 PolarHBondContact O-N 3.49Å; F41-R45 WeakPolarHBondContact O-CB 3.42Å; F41-R45 PolarHBondContact O-N 3.43Å |
| 42 | F | 91.5 | Very high | 78.7 | Confident | 43 Ų | 43 | 83.3 Ų | 83.3 | 19% | 0.189 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -64.2 | -31.5 | 180 | -69.8 | -68.1 | 0 | 0 | 0 | 112.2 | I36 D40 F46 A311 R312 Y315 | I36-F42 HydrophobicContact CD1-CD2 4.28Å; I36-F42 HydrophobicContact CD1-CE2 3.33Å; I36-F42 HydrophobicContact CD1-CZ 3.55Å; D40-F42 PolarHBondContact O-N 2.93Å; F42-F46 WeakPolarHBondContact O-CB 3.39Å; F42-F46 PolarHBondContact O-N 2.87Å; F42-A311 HydrophobicContact CB-CB 4.05Å; F42-R312 HydrophobicContact CD2-CB 4.18Å; F42-R312 HydrophobicContact CD2-CG 4.37Å; F42-R312 HydrophobicContact CE2-CG 4.31Å; F42-Y315 AromaticContact CD1-CD2 3.81Å; F42-Y315 HydrophobicContact CD1-CD2 3.81Å; F42-Y315 HydrophobicContact CD1-CG 4.26Å |
| 43 | V | 93.3 | Very high | 81.1 | Confident | 5 Ų | 5 | 79 Ų | 79 | 3% | 0.03 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -69.6 | -49.1 | 178.7 | -179.4 | 0 | 0 | 0 | 0 | 110.4 | D40 F41 R45 F46 R47 F54 M226 A303 I307 K308 A311 | D40-V43 WeakPolarHBondContact O-CB 3.12Å; D40-V43 PolarHBondContact O-N 3.35Å; F41-V43 PolarHBondContact O-N 2.93Å; V43-R45 VanDerWaalsContact C-N 3.33Å; V43-R45 PolarHBondContact O-N 3.41Å; V43-F46 PolarHBondContact O-N 3.48Å; V43-R47 WeakPolarHBondContact O-CB 3.33Å; V43-R47 PolarHBondContact O-N 3.34Å; V43-F54 HydrophobicContact CG1-CE2 3.85Å; V43-F54 HydrophobicContact CG1-CZ 4.23Å; V43-M226 HydrophobicContact CG1-SD 4.16Å; V43-A303 HydrophobicContact CB-CB 4.42Å; V43-A303 HydrophobicContact CG1-CB 4.07Å; V43-A303 HydrophobicContact CG2-CB 3.97Å; V43-I307 HydrophobicContact CG1-CG2 4.06Å; V43-I307 HydrophobicContact CG2-CG2 4.26Å; V43-K308 HydrophobicContact CG2-CB 4.31Å; V43-K308 HydrophobicContact CG2-CG 3.98Å; V43-A311 HydrophobicContact CG2-CB 4.1Å |
| 44 | E | 92.2 | Very high | 83.6 | Confident | 43 Ų | 43 | 72.2 Ų | 72.2 | 20% | 0.201 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -65.3 | -40 | 177.7 | -63.8 | -66.5 | 173.7 | 0 | 0 | 110.6 | D40 F41 F46 R47 H48 R233 | D40-E44 PolarHBondContact O-N 3.46Å; F41-E44 PolarHBondContact O-N 3.49Å; E44-F46 PolarHBondContact O-N 2.96Å; E44-R47 WeakPolarHBondContact O-CB 3.23Å; E44-R47 PolarHBondContact O-N 3.17Å; E44-R47 IonicContact OE2-NH1 2.8Å; E44-R47 PolarHBondContact OE2-NH1 3.05Å; E44-H48 PolarHBondContact O-CD2 2.9Å; E44-H48 PolarHBondContact O-N 2.97Å; E44-R233 IonicContact OE1-CZ 3.96Å; E44-R233 IonicContact OE1-NH1 2.66Å; E44-R233 PolarHBondContact OE1-NH1 3.11Å; E44-R233 IonicContact OE1-NH2 3.85Å |
| 45 | R | 92.3 | Very high | 86.1 | Confident | 97 Ų | 97 | 67.9 Ų | 67.9 | 37% | 0.366 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.4 | -48.4 | 172.9 | -172.5 | -177 | 176.4 | -175.4 | -5.3 | 112 | F41 V43 R47 H48 E49 Y315 | F41-R45 WeakPolarHBondContact O-CB 3.42Å; F41-R45 PolarHBondContact O-N 3.43Å; V43-R45 VanDerWaalsContact C-N 3.33Å; V43-R45 PolarHBondContact O-N 3.41Å; R45-R47 VanDerWaalsContact C-N 3.31Å; R45-R47 PolarHBondContact O-N 2.9Å; R45-H48 PolarHBondContact O-N 3.12Å; R45-H48 VanDerWaalsContact O-N 3.17Å; R45-E49 HydrophobicContact CG-CG 4.35Å; R45-E49 WeakPolarHBondContact CG-OE1 3.3Å; R45-E49 IonicContact CZ-OE1 3.5Å; R45-E49 IonicContact CZ-OE2 3.42Å; R45-E49 IonicContact NE-OE1 3.74Å; R45-E49 PolarHBondContact NE-OE1 3.5Å; R45-E49 IonicContact NE-OE2 2.76Å; R45-E49 PolarHBondContact NE-OE2 3.3Å; R45-E49 IonicContact NH2-OE1 2.9Å; R45-E49 PolarHBondContact NH2-OE1 3.32Å; R45-E49 IonicContact NH2-OE2 3.17Å; R45-E49 PolarHBondContact O-N 3.12Å; R45-Y315 HydrophobicContact CB-CE2 4.37Å; R45-Y315 HydrophobicContact CG-CE2 4.17Å |
| 46 | F | 94.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.5 | -40.8 | 179.3 | -172.5 | -129.8 | 0 | 0 | 0 | 111.9 | F42 V43 E44 H48 H50 I53 F54 L57 Y310 A311 F314 Y315 | F42-F46 WeakPolarHBondContact O-CB 3.39Å; F42-F46 PolarHBondContact O-N 2.87Å; V43-F46 PolarHBondContact O-N 3.48Å; E44-F46 PolarHBondContact O-N 2.96Å; F46-H48 VanDerWaalsContact C-N 3.33Å; F46-H48 PolarHBondContact O-N 2.87Å; F46-H50 HydrophobicContact CD2-CB 4.02Å; F46-H50 AromaticContact CD2-CD2 3.97Å; F46-H50 HydrophobicContact CE2-CB 3.76Å; F46-H50 HydrophobicContact CZ-CB 4.48Å; F46-H50 CarbonylContact O-C 3.43Å; F46-H50 WeakPolarHBondContact O-CA 3.46Å; F46-H50 PolarHBondContact O-N 3.34Å; F46-I53 HydrophobicContact CE2-CG2 4.49Å; F46-I53 HydrophobicContact CZ-CB 4.08Å; F46-I53 HydrophobicContact CZ-CG2 3.73Å; F46-F54 HydrophobicContact CD1-CB 4.12Å; F46-F54 AromaticContact CD1-CD2 3.64Å; F46-F54 HydrophobicContact CD1-CD2 3.64Å; F46-F54 HydrophobicContact CD1-CG 4.36Å; F46-F54 HydrophobicContact CE1-CB 4.07Å; F46-F54 HydrophobicContact CE1-CD2 4.1Å; F46-L57 HydrophobicContact CE1-CD2 4.17Å; F46-Y310 HydrophobicContact CE1-CD1 4.1Å; F46-Y310 AromaticContact CE1-CE1 3.83Å; F46-Y310 HydrophobicContact CE1-CE1 3.83Å; F46-Y310 HydrophobicContact CZ-CD1 4.45Å; F46-Y310 AromaticContact CZ-CE1 3.78Å; F46-Y310 HydrophobicContact CZ-CE1 3.78Å; F46-A311 HydrophobicContact CB-CB 4.13Å; F46-A311 HydrophobicContact CD1-CB 4.39Å; F46-A311 HydrophobicContact CG-CB 4.45Å; F46-F314 AromaticContact CD2-CD1 3.87Å; F46-F314 HydrophobicContact CD2-CD1 3.87Å; F46-F314 HydrophobicContact CD2-CE1 4.06Å; F46-F314 HydrophobicContact CD2-CG 4.16Å; F46-F314 HydrophobicContact CD2-CZ 4.47Å; F46-F314 AromaticContact CE2-CD1 3.88Å; F46-F314 HydrophobicContact CE2-CD1 3.88Å; F46-F314 AromaticContact CE2-CD2 3.83Å; F46-F314 HydrophobicContact CE2-CD2 3.83Å; F46-F314 AromaticContact CE2-CE1 3.88Å; F46-F314 HydrophobicContact CE2-CE1 3.88Å; F46-F314 AromaticContact CE2-CE2 3.82Å; F46-F314 HydrophobicContact CE2-CE2 3.82Å; F46-F314 AromaticContact CE2-CG 3.86Å; F46-F314 HydrophobicContact CE2-CG 3.86Å; F46-F314 AromaticContact CE2-CZ 3.85Å; F46-F314 HydrophobicContact CE2-CZ 3.85Å; F46-F314 HydrophobicContact CZ-CD2 4.37Å; F46-F314 HydrophobicContact CZ-CE2 4.49Å; F46-Y315 WeakPolarHBondContact CA-OH 3.45Å; F46-Y315 HydrophobicContact CB-CE2 3.94Å; F46-Y315 HydrophobicContact CD2-CE2 4.31Å |
| 47 | R | 93.9 | Very high | 90.1 | Very high | 34 Ų | 34 | 65.1 Ų | 65.1 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61.7 | -37.2 | 175.3 | 179.2 | 179.3 | -176.7 | -154.2 | -1.5 | 113.2 | V43 E44 R45 P51 F54 M226 L228 | V43-R47 WeakPolarHBondContact O-CB 3.33Å; V43-R47 PolarHBondContact O-N 3.34Å; E44-R47 WeakPolarHBondContact O-CB 3.23Å; E44-R47 PolarHBondContact O-N 3.17Å; E44-R47 IonicContact OE2-NH1 2.8Å; E44-R47 PolarHBondContact OE2-NH1 3.05Å; R45-R47 VanDerWaalsContact C-N 3.31Å; R45-R47 PolarHBondContact O-N 2.9Å; R47-P51 WeakPolarHBondContact O-CA 3.43Å; R47-F54 HydrophobicContact CB-CD1 3.84Å; R47-F54 HydrophobicContact CB-CD2 4.24Å; R47-F54 HydrophobicContact CB-CE1 3.88Å; R47-F54 HydrophobicContact CB-CE2 4.27Å; R47-F54 HydrophobicContact CB-CG 4Å; R47-F54 HydrophobicContact CB-CZ 4.07Å; R47-F54 HydrophobicContact CG-CD1 3.67Å; R47-F54 HydrophobicContact CG-CE1 3.62Å; R47-F54 HydrophobicContact CG-CG 4.32Å; R47-F54 HydrophobicContact CG-CZ 4.24Å; R47-M226 PolarHBondContact NE-O 3.24Å; R47-M226 PolarHBondContact NH2-O 3.5Å; R47-L228 PolarHBondContact NH2-O 3.36Å |
| 48 | H | 92.3 | Very high | 91.9 | Very high | 134 Ų | 134 | 59.2 Ų | 59.2 | 62% | 0.62 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -80.9 | -42.6 | -179.9 | -75.5 | -64.6 | 0 | 0 | 0 | 113.3 | E44 R45 F46 | E44-H48 PolarHBondContact O-CD2 2.9Å; E44-H48 PolarHBondContact O-N 2.97Å; R45-H48 PolarHBondContact O-N 3.12Å; R45-H48 VanDerWaalsContact O-N 3.17Å; F46-H48 VanDerWaalsContact C-N 3.33Å; F46-H48 PolarHBondContact O-N 2.87Å |
| 49 | E | 94.9 | Very high | 92.8 | Very high | 92 Ų | 92 | 56.7 Ų | 56.7 | 43% | 0.43 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -80.2 | -34.3 | -177.3 | -67.8 | 179.3 | -175.9 | 0 | 0 | 112.6 | R45 Y315 | R45-E49 HydrophobicContact CG-CG 4.35Å; R45-E49 WeakPolarHBondContact CG-OE1 3.3Å; R45-E49 IonicContact CZ-OE1 3.5Å; R45-E49 IonicContact CZ-OE2 3.42Å; R45-E49 IonicContact NE-OE1 3.74Å; R45-E49 PolarHBondContact NE-OE1 3.5Å; R45-E49 IonicContact NE-OE2 2.76Å; R45-E49 PolarHBondContact NE-OE2 3.3Å; R45-E49 IonicContact NH2-OE1 2.9Å; R45-E49 PolarHBondContact NH2-OE1 3.32Å; R45-E49 IonicContact NH2-OE2 3.17Å; R45-E49 PolarHBondContact O-N 3.12Å; E49-Y315 WeakPolarHBondContact OE2-CE1 3.39Å; E49-Y315 VanDerWaalsContact OE2-CZ 3.27Å; E49-Y315 PolarHBondContact OE2-OH 3.45Å |
| 50 | H | 95.3 | Very high | 93.7 | Very high | 66 Ų | 66 | 55 Ų | 55 | 31% | 0.306 | 27% | 0.274 | S | S | . | . | trans | -131.3 | 62 | -176.3 | -60.7 | -66.4 | 0 | 0 | 0 | 112.3 | F46 Q52 I53 F54 F314 | F46-H50 HydrophobicContact CD2-CB 4.02Å; F46-H50 AromaticContact CD2-CD2 3.97Å; F46-H50 HydrophobicContact CE2-CB 3.76Å; F46-H50 HydrophobicContact CZ-CB 4.48Å; F46-H50 CarbonylContact O-C 3.43Å; F46-H50 WeakPolarHBondContact O-CA 3.46Å; F46-H50 PolarHBondContact O-N 3.34Å; H50-Q52 VanDerWaalsContact C-N 3.33Å; H50-Q52 PolarHBondContact O-N 3.44Å; H50-I53 HydrophobicContact CB-CB 4.32Å; H50-I53 HydrophobicContact CB-CD1 4.23Å; H50-I53 HydrophobicContact CB-CG1 4.44Å; H50-I53 PolarHBondContact O-N 2.98Å; H50-F54 WeakPolarHBondContact O-CB 3.39Å; H50-F54 PolarHBondContact O-N 2.98Å; H50-F314 AromaticContact CD2-CE1 3.39Å; H50-F314 WeakPolarHBondContact CD2-CE1 3.39Å; H50-F314 AromaticContact CD2-CZ 3.59Å; H50-F314 AromaticContact NE2-CE1 3.45Å; H50-F314 WeakPolarHBondContact NE2-CE1 3.43Å; H50-F314 AromaticContact NE2-CZ 3.63Å | ||
| 51 | P | 93.9 | Very high | 94.1 | Very high | 70 Ų | 70 | 54.8 Ų | 54.8 | 46% | 0.455 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.4 | -35.3 | -170.7 | 23.4 | -34.4 | 0 | 0 | 0 | 114 | R47 A55 | R47-P51 WeakPolarHBondContact O-CA 3.43Å; P51-A55 VanDerWaalsContact O-CB 3.28Å; P51-A55 WeakPolarHBondContact O-CB 3.38Å; P51-A55 PolarHBondContact O-N 2.79Å |
| 52 | Q | 93.8 | Very high | 94.3 | Very high | 140 Ų | 140 | 50.6 Ų | 50.6 | 65% | 0.654 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -71 | -48.8 | 179.9 | -59.9 | -61.3 | -5.6 | 0 | 0 | 111.7 | H50 F54 A55 D56 | H50-Q52 VanDerWaalsContact C-N 3.33Å; H50-Q52 PolarHBondContact O-N 3.44Å; Q52-F54 VanDerWaalsContact C-N 3.26Å; Q52-F54 PolarHBondContact O-N 3.34Å; Q52-A55 PolarHBondContact O-N 3.02Å; Q52-A55 VanDerWaalsContact O-N 3.12Å; Q52-D56 PolarHBondContact O-N 3.39Å |
| 53 | I | 95.3 | Very high | 94.4 | Very high | 74 Ų | 74 | 51.7 Ų | 51.7 | 38% | 0.379 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.6 | -40.1 | 177.8 | -51.4 | 178.3 | 0 | 0 | 0 | 110.1 | F46 H50 L57 | F46-I53 HydrophobicContact CE2-CG2 4.49Å; F46-I53 HydrophobicContact CZ-CB 4.08Å; F46-I53 HydrophobicContact CZ-CG2 3.73Å; H50-I53 HydrophobicContact CB-CB 4.32Å; H50-I53 HydrophobicContact CB-CD1 4.23Å; H50-I53 HydrophobicContact CB-CG1 4.44Å; H50-I53 PolarHBondContact O-N 2.98Å; I53-L57 WeakPolarHBondContact O-CB 3.35Å; I53-L57 PolarHBondContact O-N 3.49Å |
| 54 | F | 95.6 | Very high | 94.3 | Very high | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.026 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62 | -47.2 | 174.1 | 179.2 | -102.6 | 0 | 0 | 0 | 112.1 | V43 F46 R47 H50 Q52 L57 V58 M226 I307 | V43-F54 HydrophobicContact CG1-CE2 3.85Å; V43-F54 HydrophobicContact CG1-CZ 4.23Å; F46-F54 HydrophobicContact CD1-CB 4.12Å; F46-F54 AromaticContact CD1-CD2 3.64Å; F46-F54 HydrophobicContact CD1-CD2 3.64Å; F46-F54 HydrophobicContact CD1-CG 4.36Å; F46-F54 HydrophobicContact CE1-CB 4.07Å; F46-F54 HydrophobicContact CE1-CD2 4.1Å; R47-F54 HydrophobicContact CB-CD1 3.84Å; R47-F54 HydrophobicContact CB-CD2 4.24Å; R47-F54 HydrophobicContact CB-CE1 3.88Å; R47-F54 HydrophobicContact CB-CE2 4.27Å; R47-F54 HydrophobicContact CB-CG 4Å; R47-F54 HydrophobicContact CB-CZ 4.07Å; R47-F54 HydrophobicContact CG-CD1 3.67Å; R47-F54 HydrophobicContact CG-CE1 3.62Å; R47-F54 HydrophobicContact CG-CG 4.32Å; R47-F54 HydrophobicContact CG-CZ 4.24Å; H50-F54 WeakPolarHBondContact O-CB 3.39Å; H50-F54 PolarHBondContact O-N 2.98Å; Q52-F54 VanDerWaalsContact C-N 3.26Å; Q52-F54 PolarHBondContact O-N 3.34Å; F54-L57 PolarHBondContact O-N 3.49Å; F54-V58 HydrophobicContact CD1-CG2 4.34Å; F54-V58 HydrophobicContact CD2-CG2 4.34Å; F54-V58 HydrophobicContact CE1-CG2 3.96Å; F54-V58 HydrophobicContact CE2-CG2 3.97Å; F54-V58 HydrophobicContact CZ-CG2 3.79Å; F54-V58 VanDerWaalsContact O-CG2 3.31Å; F54-V58 WeakPolarHBondContact O-CG2 3.35Å; F54-V58 PolarHBondContact O-N 2.95Å; F54-M226 HydrophobicContact CE1-CB 4.12Å; F54-M226 HydrophobicContact CE2-SD 4.44Å; F54-M226 HydrophobicContact CZ-CB 3.87Å; F54-M226 HydrophobicContact CZ-CG 4.28Å; F54-M226 HydrophobicContact CZ-SD 3.92Å; F54-I307 HydrophobicContact CE2-CG2 4.37Å |
| 55 | A | 95.1 | Very high | 94.1 | Very high | 23 Ų | 23 | 56.7 Ų | 56.7 | 19% | 0.19 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61 | -46 | 178 | 0 | 0 | 0 | 0 | 0 | 111.3 | P51 Q52 L57 V58 L59 L227 | P51-A55 VanDerWaalsContact O-CB 3.28Å; P51-A55 WeakPolarHBondContact O-CB 3.38Å; P51-A55 PolarHBondContact O-N 2.79Å; Q52-A55 PolarHBondContact O-N 3.02Å; Q52-A55 VanDerWaalsContact O-N 3.12Å; A55-L57 PolarHBondContact O-N 3.39Å; A55-V58 PolarHBondContact O-N 3.5Å; A55-L59 VanDerWaalsContact O-CB 3.26Å; A55-L59 WeakPolarHBondContact O-CB 3.28Å; A55-L59 WeakPolarHBondContact O-CD1 3.35Å; A55-L59 WeakPolarHBondContact O-CG 3.32Å; A55-L59 PolarHBondContact O-N 3.31Å; A55-L227 HydrophobicContact CB-CD2 4.44Å |
| 56 | D | 95.1 | Very high | 94.1 | Very high | 102 Ų | 102 | 52.4 Ų | 52.4 | 55% | 0.545 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 177.8 | -69.9 | -20.5 | 0 | 0 | 0 | 111.9 | Q52 L59 S60 | Q52-D56 PolarHBondContact O-N 3.39Å; D56-L59 PolarHBondContact O-N 2.96Å; D56-S60 WeakPolarHBondContact O-CB 3.4Å; D56-S60 PolarHBondContact O-N 3.45Å |
| 57 | L | 96.1 | Very high | 93.8 | Very high | 32 Ų | 32 | 58.8 Ų | 58.8 | 17% | 0.168 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -58.6 | -50.9 | 174.3 | 175.2 | 67 | 0 | 0 | 0 | 110.7 | F46 I53 F54 A55 N61 I307 Y310 | F46-L57 HydrophobicContact CE1-CD2 4.17Å; I53-L57 WeakPolarHBondContact O-CB 3.35Å; I53-L57 PolarHBondContact O-N 3.49Å; F54-L57 PolarHBondContact O-N 3.49Å; A55-L57 PolarHBondContact O-N 3.39Å; L57-N61 PolarHBondContact O-N 3.24Å; L57-N61 VanDerWaalsContact O-N 3.16Å; L57-N61 PolarHBondContact O-ND2 3.2Å; L57-I307 HydrophobicContact CD1-CD1 4.31Å; L57-I307 HydrophobicContact CD2-CD1 3.73Å; L57-I307 HydrophobicContact CG-CD1 3.75Å; L57-Y310 HydrophobicContact CD2-CD1 3.46Å; L57-Y310 VanDerWaalsContact CD2-CD1 3.46Å; L57-Y310 HydrophobicContact CD2-CE1 3.83Å; L57-Y310 HydrophobicContact CD2-CG 3.94Å |
| 58 | V | 96.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.3 | -44.2 | -178.4 | 173.7 | 0 | 0 | 0 | 0 | 111 | F54 A55 N61 I62 L223 M226 L227 | F54-V58 HydrophobicContact CD1-CG2 4.34Å; F54-V58 HydrophobicContact CD2-CG2 4.34Å; F54-V58 HydrophobicContact CE1-CG2 3.96Å; F54-V58 HydrophobicContact CE2-CG2 3.97Å; F54-V58 HydrophobicContact CZ-CG2 3.79Å; F54-V58 VanDerWaalsContact O-CG2 3.31Å; F54-V58 WeakPolarHBondContact O-CG2 3.35Å; F54-V58 PolarHBondContact O-N 2.95Å; A55-V58 PolarHBondContact O-N 3.5Å; V58-N61 WeakPolarHBondContact O-CB 3.42Å; V58-N61 PolarHBondContact O-N 3.21Å; V58-N61 VanDerWaalsContact O-N 3.16Å; V58-I62 HydrophobicContact CG1-CD1 3.96Å; V58-I62 HydrophobicContact CG1-CG1 4.46Å; V58-I62 WeakPolarHBondContact O-CG1 3.24Å; V58-I62 PolarHBondContact O-N 3.34Å; V58-L223 HydrophobicContact CG1-CB 4.06Å; V58-L223 HydrophobicContact CG1-CD2 4.17Å; V58-L223 VanDerWaalsContact CG1-O 3.26Å; V58-L223 WeakPolarHBondContact CG1-O 3.32Å; V58-M226 HydrophobicContact CG1-CE 4.49Å; V58-M226 HydrophobicContact CG2-CB 4.45Å; V58-M226 HydrophobicContact CG2-CE 4.02Å; V58-L227 HydrophobicContact CB-CD2 3.92Å; V58-L227 HydrophobicContact CB-CG 4.46Å; V58-L227 HydrophobicContact CG1-CD1 4.11Å; V58-L227 HydrophobicContact CG1-CD2 3.68Å; V58-L227 HydrophobicContact CG1-CG 3.67Å |
| 59 | L | 95.4 | Very high | 93.4 | Very high | 19 Ų | 19 | 54.3 Ų | 54.3 | 10% | 0.099 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63 | -43.6 | 178.3 | -74.2 | 166.5 | 0 | 0 | 0 | 112 | A55 D56 N61 I62 T63 F73 L76 T77 L227 | A55-L59 VanDerWaalsContact O-CB 3.26Å; A55-L59 WeakPolarHBondContact O-CB 3.28Å; A55-L59 WeakPolarHBondContact O-CD1 3.35Å; A55-L59 WeakPolarHBondContact O-CG 3.32Å; A55-L59 PolarHBondContact O-N 3.31Å; D56-L59 PolarHBondContact O-N 2.96Å; L59-N61 PolarHBondContact O-N 3.09Å; L59-I62 PolarHBondContact O-N 3.33Å; L59-I62 VanDerWaalsContact O-N 3.1Å; L59-T63 WeakPolarHBondContact O-CG2 3.44Å; L59-T63 PolarHBondContact O-N 2.95Å; L59-T63 PolarHBondContact O-OG1 3.28Å; L59-F73 HydrophobicContact CD2-CE2 4.38Å; L59-L76 HydrophobicContact CD2-CD2 3.81Å; L59-L76 HydrophobicContact CD2-CG 3.93Å; L59-T77 HydrophobicContact CD1-CG2 3.9Å; L59-T77 HydrophobicContact CD2-CG2 4.27Å; L59-L227 HydrophobicContact CD2-CD1 3.65Å; L59-L227 HydrophobicContact CG-CD1 4.09Å |
| 60 | S | 94.8 | Very high | 93.1 | Very high | 71 Ų | 71 | 52.8 Ų | 52.8 | 50% | 0.497 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.9 | -35 | 174.2 | 178.6 | 0 | 0 | 0 | 0 | 112.2 | D56 T63 | D56-S60 WeakPolarHBondContact O-CB 3.4Å; D56-S60 PolarHBondContact O-N 3.45Å; S60-T63 PolarHBondContact O-OG1 3.41Å; S60-T63 VanDerWaalsContact O-OG1 3.09Å |
| 61 | N | 94.9 | Very high | 92.7 | Very high | 10 Ų | 10 | 53.8 Ų | 53.8 | 5% | 0.053 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.4 | -39.2 | 174.1 | -78 | -82.3 | 0 | 0 | 0 | 112.5 | L57 V58 L59 R64 L65 L223 Y306 | L57-N61 PolarHBondContact O-N 3.24Å; L57-N61 VanDerWaalsContact O-N 3.16Å; L57-N61 PolarHBondContact O-ND2 3.2Å; V58-N61 WeakPolarHBondContact O-CB 3.42Å; V58-N61 PolarHBondContact O-N 3.21Å; V58-N61 VanDerWaalsContact O-N 3.16Å; L59-N61 PolarHBondContact O-N 3.09Å; N61-R64 VanDerWaalsContact CG-NH2 3.26Å; N61-R64 PolarHBondContact O-N 3.04Å; N61-R64 VanDerWaalsContact OD1-CZ 3.24Å; N61-R64 PolarHBondContact OD1-NH1 3.42Å; N61-R64 PolarHBondContact OD1-NH2 2.98Å; N61-L65 WeakPolarHBondContact O-CG 3.38Å; N61-L65 PolarHBondContact O-N 3.16Å; N61-L223 HydrophobicContact CB-CD1 3.68Å; N61-L223 HydrophobicContact CB-CD2 3.83Å; N61-L223 HydrophobicContact CB-CG 4.42Å; N61-Y306 HydrophobicContact CB-CE2 4.31Å; N61-Y306 VanDerWaalsContact CG-CE2 3.46Å; N61-Y306 WeakPolarHBondContact OD1-CE2 3.27Å; N61-Y306 PolarHBondContact OD1-OH 3.38Å |
| 62 | I | 94.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.9 | -45.9 | 176.7 | -69.7 | 170.9 | 0 | 0 | 0 | 110.9 | V58 L59 R64 L65 I66 L76 L223 L224 L227 | V58-I62 HydrophobicContact CG1-CD1 3.96Å; V58-I62 HydrophobicContact CG1-CG1 4.46Å; V58-I62 WeakPolarHBondContact O-CG1 3.24Å; V58-I62 PolarHBondContact O-N 3.34Å; L59-I62 PolarHBondContact O-N 3.33Å; L59-I62 VanDerWaalsContact O-N 3.1Å; I62-R64 PolarHBondContact O-N 2.98Å; I62-L65 PolarHBondContact O-N 3.14Å; I62-I66 HydrophobicContact CG2-CD1 3.64Å; I62-I66 HydrophobicContact CG2-CG1 3.66Å; I62-I66 WeakPolarHBondContact O-CG1 3.28Å; I62-I66 PolarHBondContact O-N 3.49Å; I62-L76 HydrophobicContact CG2-CD2 4.14Å; I62-L223 HydrophobicContact CD1-CB 4.04Å; I62-L223 HydrophobicContact CG1-CB 3.58Å; I62-L223 HydrophobicContact CG1-CD1 4.09Å; I62-L223 HydrophobicContact CG1-CG 4.45Å; I62-L224 HydrophobicContact CD1-CD1 4.41Å; I62-L227 HydrophobicContact CD1-CD1 3.54Å; I62-L227 HydrophobicContact CD1-CG 4.38Å |
| 63 | T | 92.1 | Very high | 92.4 | Very high | 65 Ų | 65 | 48.3 Ų | 48.3 | 40% | 0.399 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.6 | -20.6 | -178.2 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | L59 S60 I66 F73 | L59-T63 WeakPolarHBondContact O-CG2 3.44Å; L59-T63 PolarHBondContact O-N 2.95Å; L59-T63 PolarHBondContact O-OG1 3.28Å; S60-T63 PolarHBondContact O-OG1 3.41Å; S60-T63 VanDerWaalsContact O-OG1 3.09Å; T63-I66 CarbonylContact C-O 3.59Å; T63-F73 HydrophobicContact CG2-CD2 3.61Å; T63-F73 HydrophobicContact CG2-CE2 3.24Å; T63-F73 HydrophobicContact CG2-CZ 4.07Å |
| 64 | R | 91.2 | Very high | 92.1 | Very high | 139 Ų | 139 | 45.5 Ų | 45.5 | 53% | 0.525 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -75.4 | -32.7 | 169.6 | -164.4 | -161.9 | -43.8 | 102.4 | 7.5 | 112.2 | N61 I62 | N61-R64 VanDerWaalsContact CG-NH2 3.26Å; N61-R64 PolarHBondContact O-N 3.04Å; N61-R64 VanDerWaalsContact OD1-CZ 3.24Å; N61-R64 PolarHBondContact OD1-NH1 3.42Å; N61-R64 PolarHBondContact OD1-NH2 2.98Å; I62-R64 PolarHBondContact O-N 2.98Å |
| 65 | L | 89.5 | Confident | 91.8 | Very high | 14 Ų | 14 | 45.4 Ų | 45.4 | 7% | 0.073 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -85.3 | -39.1 | -175.8 | -66.7 | 179 | 0 | 0 | 0 | 112.3 | N61 I62 L199 R216 E219 A220 L223 | N61-L65 WeakPolarHBondContact O-CG 3.38Å; N61-L65 PolarHBondContact O-N 3.16Å; I62-L65 PolarHBondContact O-N 3.14Å; L65-L199 WeakPolarHBondContact O-CD2 3.31Å; L65-R216 HydrophobicContact CD2-CG 3.96Å; L65-R216 PolarHBondContact O-NE 3.19Å; L65-R216 PolarHBondContact O-NH2 2.87Å; L65-E219 HydrophobicContact CD1-CB 4.22Å; L65-E219 HydrophobicContact CD1-CG 3.85Å; L65-A220 HydrophobicContact CB-CB 4.38Å; L65-A220 HydrophobicContact CD1-CB 3.93Å; L65-L223 HydrophobicContact CD1-CD1 3.46Å; L65-L223 VanDerWaalsContact CD1-CD1 3.46Å |
| 66 | I | 90.7 | Very high | 91.6 | Very high | 7 Ų | 7 | 44.6 Ų | 44.6 | 4% | 0.036 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -126.7 | 139.8 | -179.6 | 56.2 | 170.9 | 0 | 0 | 0 | 110.9 | I62 T63 L68 A192 K195 I196 L199 | I62-I66 HydrophobicContact CG2-CD1 3.64Å; I62-I66 HydrophobicContact CG2-CG1 3.66Å; I62-I66 WeakPolarHBondContact O-CG1 3.28Å; I62-I66 PolarHBondContact O-N 3.49Å; T63-I66 CarbonylContact C-O 3.59Å; I66-L68 HydrophobicContact CD1-CD1 3.73Å; I66-L68 HydrophobicContact CD1-CD2 4.38Å; I66-L68 HydrophobicContact CD1-CG 3.95Å; I66-L68 HydrophobicContact CG1-CD1 4.25Å; I66-L68 HydrophobicContact CG1-CG 4.25Å; I66-A192 HydrophobicContact CD1-CB 3.89Å; I66-K195 HydrophobicContact CB-CB 4.06Å; I66-K195 HydrophobicContact CD1-CB 4.23Å; I66-K195 HydrophobicContact CG2-CB 4.15Å; I66-I196 HydrophobicContact CD1-CG1 4.17Å; I66-I196 HydrophobicContact CG2-CG1 3.84Å; I66-L199 HydrophobicContact CG2-CD1 3.77Å; I66-L199 HydrophobicContact CG2-CD2 4.03Å; I66-L199 HydrophobicContact CG2-CG 3.99Å |
| 67 | D | 89 | Confident | 91.4 | Very high | 135 Ų | 135 | 41.6 Ų | 41.6 | 72% | 0.722 | 24% | 0.236 | S | C | * | . | trans | -86 | 113.6 | 172.7 | -172.3 | 13.8 | 0 | 0 | 0 | 109.7 | ||||
| 68 | L | 88.2 | Confident | 90.8 | Very high | 17 Ų | 17 | 42.3 Ų | 42.3 | 9% | 0.089 | 25% | 0.251 | C | S | . | . | trans | -116.2 | 115.4 | 176.3 | -72.8 | 171.3 | 0 | 0 | 0 | 108.8 | I66 E72 F73 L76 H191 A192 K195 | I66-L68 HydrophobicContact CD1-CD1 3.73Å; I66-L68 HydrophobicContact CD1-CD2 4.38Å; I66-L68 HydrophobicContact CD1-CG 3.95Å; I66-L68 HydrophobicContact CG1-CD1 4.25Å; I66-L68 HydrophobicContact CG1-CG 4.25Å; L68-E72 HydrophobicContact CB-CB 4.42Å; L68-E72 HydrophobicContact CD2-CB 4.02Å; L68-F73 HydrophobicContact CB-CB 4.15Å; L68-L76 HydrophobicContact CD1-CD2 3.65Å; L68-H191 HydrophobicContact CD2-CB 4.23Å; L68-A192 HydrophobicContact CD1-CB 4.35Å; L68-K195 HydrophobicContact CD2-CB 4.47Å; L68-K195 HydrophobicContact CD2-CG 3.74Å | ||
| 69 | P | 90.1 | Very high | 90.2 | Very high | 56 Ų | 56 | 49.6 Ų | 49.6 | 36% | 0.364 | 29% | 0.286 | S | S | . | . | trans | -50.8 | 152.1 | 169.1 | -26 | 34.2 | 0 | 0 | 0 | 112.1 | D71 E72 F73 | P69-D71 WeakPolarHBondContact CB-OD1 3.17Å; P69-D71 PolarHBondContact O-N 2.91Å; P69-E72 HydrophobicContact CB-CG 4.39Å; P69-E72 VanDerWaalsContact CD-OE2 3.32Å; P69-E72 WeakPolarHBondContact CD-OE2 3.29Å; P69-E72 HydrophobicContact CG-CG 4.38Å; P69-E72 WeakPolarHBondContact O-CA 3.41Å; P69-E72 PolarHBondContact O-N 3.33Å; P69-F73 PolarHBondContact O-N 3.03Å | ||
| 70 | G | 87.8 | Confident | 89.5 | Confident | 60 Ų | 60 | 50.6 Ų | 50.6 | 62% | 0.619 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -55.7 | -30.4 | -170.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | A74 | G70-A74 WeakPolarHBondContact O-CB 3.47Å; G70-A74 PolarHBondContact O-N 2.86Å |
| 71 | D | 87.4 | Confident | 88.5 | Confident | 87 Ų | 87 | 53.1 Ų | 53.1 | 47% | 0.465 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -77.2 | -37.9 | 174 | 62.3 | -40.4 | 0 | 0 | 0 | 113.2 | P69 Q75 | P69-D71 WeakPolarHBondContact CB-OD1 3.17Å; P69-D71 PolarHBondContact O-N 2.91Å; D71-Q75 WeakPolarHBondContact O-CG 3.34Å; D71-Q75 PolarHBondContact O-N 3Å |
| 72 | E | 89.7 | Confident | 87.2 | Confident | 33 Ų | 33 | 54.7 Ų | 54.7 | 15% | 0.154 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -67.4 | -38 | 172.8 | -58.3 | -170.2 | 166.1 | 0 | 0 | 111.3 | L68 P69 Q75 L76 H191 | L68-E72 HydrophobicContact CB-CB 4.42Å; L68-E72 HydrophobicContact CD2-CB 4.02Å; P69-E72 HydrophobicContact CB-CG 4.39Å; P69-E72 VanDerWaalsContact CD-OE2 3.32Å; P69-E72 WeakPolarHBondContact CD-OE2 3.29Å; P69-E72 HydrophobicContact CG-CG 4.38Å; P69-E72 WeakPolarHBondContact O-CA 3.41Å; P69-E72 PolarHBondContact O-N 3.33Å; E72-Q75 WeakPolarHBondContact O-CB 3.39Å; E72-Q75 PolarHBondContact O-N 2.87Å; E72-L76 PolarHBondContact O-N 3.48Å; E72-L76 VanDerWaalsContact O-N 3.07Å; E72-H191 HydrophobicContact CB-CB 3.97Å; E72-H191 HydrophobicContact CG-CB 4.11Å; E72-H191 IonicContact OE1-CE1 3.71Å; E72-H191 PolarHBondContact OE1-CE1 3.16Å; E72-H191 IonicContact OE1-CG 2.63Å; E72-H191 IonicContact OE1-ND1 3.95Å; E72-H191 PolarHBondContact OE1-ND1 2.83Å; E72-H191 IonicContact OE2-CG 2.87Å; E72-H191 IonicContact OE2-ND1 2.88Å |
| 73 | F | 91.6 | Very high | 85.7 | Confident | 62 Ų | 62 | 61.9 Ų | 61.9 | 27% | 0.272 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.1 | -45.4 | 174.1 | -177.3 | -104.8 | 0 | 0 | 0 | 111.7 | L59 T63 L68 P69 Q75 L76 T77 | L59-F73 HydrophobicContact CD2-CE2 4.38Å; T63-F73 HydrophobicContact CG2-CD2 3.61Å; T63-F73 HydrophobicContact CG2-CE2 3.24Å; T63-F73 HydrophobicContact CG2-CZ 4.07Å; L68-F73 HydrophobicContact CB-CB 4.15Å; P69-F73 PolarHBondContact O-N 3.03Å; F73-Q75 PolarHBondContact O-N 3.46Å; F73-L76 WeakPolarHBondContact O-CB 3.31Å; F73-L76 PolarHBondContact O-N 2.95Å; F73-T77 HydrophobicContact CD1-CG2 4.29Å; F73-T77 HydrophobicContact CE1-CG2 3.79Å; F73-T77 HydrophobicContact CE2-CG2 4.13Å; F73-T77 HydrophobicContact CZ-CG2 3.7Å; F73-T77 PolarHBondContact O-N 3.33Å |
| 74 | A | 88.9 | Confident | 84.2 | Confident | 16 Ų | 16 | 59.8 Ų | 59.8 | 13% | 0.132 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.4 | -26.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | G70 T77 G78 E79 S80 | G70-A74 WeakPolarHBondContact O-CB 3.47Å; G70-A74 PolarHBondContact O-N 2.86Å; A74-T77 PolarHBondContact O-OG1 2.92Å; A74-G78 PolarHBondContact O-N 2.96Å; A74-E79 HydrophobicContact CB-CB 4.3Å; A74-E79 PolarHBondContact O-N 2.95Å; A74-S80 VanDerWaalsContact C-OG 3.23Å; A74-S80 PolarHBondContact O-N 3.34Å; A74-S80 PolarHBondContact O-OG 3.39Å |
| 75 | Q | 89.7 | Confident | 82.5 | Confident | 4 Ų | 4 | 55.5 Ų | 55.5 | 2% | 0.019 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.2 | -46.2 | 170.1 | -73.8 | 177.4 | 38.9 | 0 | 0 | 110.9 | D71 E72 F73 T77 G78 S80 R188 H191 | D71-Q75 WeakPolarHBondContact O-CG 3.34Å; D71-Q75 PolarHBondContact O-N 3Å; E72-Q75 WeakPolarHBondContact O-CB 3.39Å; E72-Q75 PolarHBondContact O-N 2.87Å; F73-Q75 PolarHBondContact O-N 3.46Å; Q75-T77 VanDerWaalsContact C-N 3.31Å; Q75-T77 PolarHBondContact O-N 3.41Å; Q75-G78 PolarHBondContact O-N 3.46Å; Q75-S80 WeakPolarHBondContact CA-OG 3.32Å; Q75-S80 WeakPolarHBondContact CG-OG 3.19Å; Q75-S80 PolarHBondContact N-OG 3.32Å; Q75-S80 VanDerWaalsContact N-OG 3.14Å; Q75-R188 WeakPolarHBondContact O-CB 3.48Å; Q75-H191 PolarHBondContact OE1-CD2 3.46Å |
| 76 | L | 90.8 | Very high | 80.4 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.6 | -42.6 | 178.5 | 178.8 | 63.6 | 0 | 0 | 0 | 112.2 | L59 I62 L68 E72 F73 G78 H189 A192 L224 | L59-L76 HydrophobicContact CD2-CD2 3.81Å; L59-L76 HydrophobicContact CD2-CG 3.93Å; I62-L76 HydrophobicContact CG2-CD2 4.14Å; L68-L76 HydrophobicContact CD1-CD2 3.65Å; E72-L76 PolarHBondContact O-N 3.48Å; E72-L76 VanDerWaalsContact O-N 3.07Å; F73-L76 WeakPolarHBondContact O-CB 3.31Å; F73-L76 PolarHBondContact O-N 2.95Å; L76-G78 VanDerWaalsContact C-N 3.26Å; L76-G78 PolarHBondContact O-N 3.02Å; L76-H189 VanDerWaalsContact CD1-CD2 3.47Å; L76-H189 WeakPolarHBondContact CD1-CD2 3.44Å; L76-A192 HydrophobicContact CD1-CB 4.29Å; L76-L224 HydrophobicContact CD1-CD1 3.86Å |
| 77 | T | 89.9 | Confident | 77.9 | Confident | 38 Ų | 38 | 63 Ų | 63 | 23% | 0.233 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -74.7 | -15.2 | 177.8 | 63.8 | 0 | 0 | 0 | 0 | 113.4 | L59 F73 A74 Q75 E79 | L59-T77 HydrophobicContact CD1-CG2 3.9Å; L59-T77 HydrophobicContact CD2-CG2 4.27Å; F73-T77 HydrophobicContact CD1-CG2 4.29Å; F73-T77 HydrophobicContact CE1-CG2 3.79Å; F73-T77 HydrophobicContact CE2-CG2 4.13Å; F73-T77 HydrophobicContact CZ-CG2 3.7Å; F73-T77 PolarHBondContact O-N 3.33Å; A74-T77 PolarHBondContact O-OG1 2.92Å; Q75-T77 VanDerWaalsContact C-N 3.31Å; Q75-T77 PolarHBondContact O-N 3.41Å; T77-E79 WeakPolarHBondContact OG1-CG 3.31Å; T77-E79 PolarHBondContact OG1-OE1 3.37Å |
| 78 | G | 84.8 | Confident | 75.7 | Confident | 47 Ų | 47 | 63.9 Ų | 63.9 | 49% | 0.485 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83 | 8.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | A74 Q75 L76 S80 | A74-G78 PolarHBondContact O-N 2.96Å; Q75-G78 PolarHBondContact O-N 3.46Å; L76-G78 VanDerWaalsContact C-N 3.26Å; L76-G78 PolarHBondContact O-N 3.02Å; G78-S80 VanDerWaalsContact C-N 3.29Å |
| 79 | E | 83.9 | Confident | 73.3 | Confident | 154 Ų | 154 | 65.6 Ų | 65.6 | 72% | 0.72 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -70 | -26.4 | 174 | -73.5 | 168.1 | -134.8 | 0 | 0 | 112.7 | A74 T77 | A74-E79 HydrophobicContact CB-CB 4.3Å; A74-E79 PolarHBondContact O-N 2.95Å; T77-E79 WeakPolarHBondContact OG1-CG 3.31Å; T77-E79 PolarHBondContact OG1-OE1 3.37Å |
| 80 | S | 80.3 | Confident | 70.7 | Confident | 39 Ų | 39 | 72.9 Ų | 72.9 | 27% | 0.273 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -125 | 146.1 | 177.5 | 72.4 | 0 | 0 | 0 | 0 | 112.2 | A74 Q75 G78 | A74-S80 VanDerWaalsContact C-OG 3.23Å; A74-S80 PolarHBondContact O-N 3.34Å; A74-S80 PolarHBondContact O-OG 3.39Å; Q75-S80 WeakPolarHBondContact CA-OG 3.32Å; Q75-S80 WeakPolarHBondContact CG-OG 3.19Å; Q75-S80 PolarHBondContact N-OG 3.32Å; Q75-S80 VanDerWaalsContact N-OG 3.14Å; G78-S80 VanDerWaalsContact C-N 3.29Å |
| 81 | V | 73.4 | Confident | 68.4 | Low | 124 Ų | 124 | 77.5 Ų | 77.5 | 75% | 0.752 | 44% | 0.444 | S | S | * | . | trans | -66.2 | 135.7 | 176.9 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | K83 | V81-K83 PolarHBondContact O-N 2.95Š| ||
| 82 | P | 67.2 | Low | 66.2 | Low | 44 Ų | 44 | 85.2 Ų | 85.2 | 29% | 0.286 | 47% | 0.466 | S | S | . | . | trans | -53.9 | 112.3 | 179.2 | -25.7 | 33.3 | 0 | 0 | 0 | 111.8 | V84 H187 | P82-V84 HydrophobicContact CB-CG1 4.13Å; P82-V84 PolarHBondContact O-N 3.38Å; P82-V84 VanDerWaalsContact O-N 3.11Å; P82-H187 HydrophobicContact CB-CB 4.04Å; P82-H187 HydrophobicContact CG-CB 3.87Å | ||
| 83 | K | 63.1 | Low | 63.7 | Low | 153 Ų | 153 | 87.2 Ų | 87.2 | 67% | 0.665 | 48% | 0.484 | S | S | * | . | trans | -85.9 | 70.1 | 170.4 | -69 | -179.9 | -176.5 | 168.9 | 0 | 108.5 | V81 | V81-K83 PolarHBondContact O-N 2.95Š| ||
| 84 | V | 60.2 | Low | 61.2 | Low | 20 Ų | 20 | 91.8 Ų | 91.8 | 12% | 0.121 | 50% | 0.504 | C | S | . | . | trans | -68.7 | 148.5 | 172.2 | -65 | 0 | 0 | 0 | 0 | 108.6 | P82 T86 P271 V274 | P82-V84 HydrophobicContact CB-CG1 4.13Å; P82-V84 PolarHBondContact O-N 3.38Å; P82-V84 VanDerWaalsContact O-N 3.11Å; V84-T86 VanDerWaalsContact C-N 3.32Å; V84-T86 PolarHBondContact O-N 3.23Å; V84-T86 PolarHBondContact O-OG1 3.46Å; V84-P271 HydrophobicContact CB-CB 3.62Å; V84-P271 HydrophobicContact CB-CG 3.95Å; V84-P271 HydrophobicContact CG1-CB 3.5Å; V84-P271 VanDerWaalsContact CG1-CB 3.5Å; V84-P271 HydrophobicContact CG1-CG 3.56Å; V84-P271 HydrophobicContact CG2-CB 4.06Å; V84-V274 HydrophobicContact CB-CG2 4.14Å; V84-V274 HydrophobicContact CG2-CG2 4.05Å | ||
| 85 | P | 55.4 | Low | 58.4 | Low | 49 Ų | 49 | 98.6 Ų | 98.6 | 32% | 0.318 | 54% | 0.538 | S | S | . | . | trans | -54.7 | 100 | -177.6 | 17.8 | -28.7 | 0 | 0 | 0 | 108.9 | V274 L279 | P85-V274 HydrophobicContact CG-CG1 3.98Å; P85-V274 WeakPolarHBondContact O-CG2 3.41Å; P85-L279 HydrophobicContact CG-CD2 4.23Å | ||
| 86 | T | 46.1 | Very low | 56.2 | Low | 112 Ų | 112 | 106.3 Ų | 106.3 | 69% | 0.687 | 57% | 0.572 | S | S | * | * | trans | -94.1 | 119.7 | -175.7 | -50.2 | 0 | 0 | 0 | 0 | 104.5 | V84 T88 | V84-T86 VanDerWaalsContact C-N 3.32Å; V84-T86 PolarHBondContact O-N 3.23Å; V84-T86 PolarHBondContact O-OG1 3.46Å; T86-T88 PolarHBondContact O-N 3.16Å; T86-T88 VanDerWaalsContact O-N 3.09Å | ||
| 87 | S | 39.4 | Very low | 53.6 | Low | 68 Ų | 68 | 115.5 Ų | 115.5 | 48% | 0.476 | 61% | 0.606 | S | S | . | * | trans | -48.3 | 123.1 | 168.9 | 64.7 | 0 | 0 | 0 | 0 | 108.3 | G89 | S87-G89 PolarHBondContact O-N 2.86Š| ||
| 88 | T | 42.2 | Very low | 51.1 | Low | 152 Ų | 152 | 123.4 Ų | 123.4 | 93% | 0.933 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -55.3 | 103.8 | 172.1 | 41.6 | 0 | 0 | 0 | 0 | 109.2 | T86 | T86-T88 PolarHBondContact O-N 3.16Å; T86-T88 VanDerWaalsContact O-N 3.09Å |
| 89 | G | 37 | Very low | 48.7 | Very low | 54 Ų | 54 | 129.3 Ų | 129.3 | 56% | 0.557 | 65% | 0.645 | S | S | * | * | S | Bend | trans | 169.9 | 105.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | S87 | S87-G89 PolarHBondContact O-N 2.86Š|
| 90 | F | 36.9 | Very low | 46.6 | Very low | 208 Ų | 208 | 131.5 Ų | 131.5 | 91% | 0.912 | 65% | 0.652 | S | S | * | * | S | Bend | trans | 16.6 | 106.4 | 160.4 | -73.7 | -95.7 | 0 | 0 | 0 | 117.2 | R92 | F90-R92 PolarHBondContact O-N 3.49Š|
| 91 | L | 38.4 | Very low | 44.7 | Very low | 158 Ų | 158 | 136.6 Ų | 136.6 | 83% | 0.827 | 67% | 0.671 | S | S | * | * | trans | 24.1 | 83.6 | 155.1 | -63 | 174 | 0 | 0 | 0 | 115.4 | S93 | L91-S93 PolarHBondContact O-N 2.78Š| ||
| 92 | R | 41.8 | Very low | 43.3 | Very low | 249 Ų | 249 | 140.3 Ų | 140.3 | 94% | 0.94 | 68% | 0.677 | S | S | * | * | trans | -89.6 | 51.7 | 150.2 | -118 | -173.6 | -157.7 | -178.7 | 8.6 | 109.9 | F90 | F90-R92 PolarHBondContact O-N 3.49Š| ||
| 93 | S | 36.3 | Very low | 42.6 | Very low | 74 Ų | 74 | 139.5 Ų | 139.5 | 52% | 0.517 | 68% | 0.677 | S | S | . | * | trans | -90.3 | 120.1 | 164.9 | -154.3 | 0 | 0 | 0 | 0 | 107.2 | L91 | L91-S93 PolarHBondContact O-N 2.78Š| ||
| 94 | F | 40.1 | Very low | 42.9 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 70% | 0.697 | 68% | 0.678 | S | S | * | * | trans | 55.3 | 93.2 | 169.9 | -58.6 | -80.8 | 0 | 0 | 0 | 117.5 | ||||
| 95 | N | 29.2 | Very low | 44.1 | Very low | 159 Ų | 159 | 137.1 Ų | 137.1 | 85% | 0.85 | 68% | 0.675 | S | S | * | * | -136.1 | 83.4 | 120 | -85.2 | -45 | 0 | 0 | 0 | 107.3 | R97 | N95-R97 PolarHBondContact O-N 2.97Š| |||
| 96 | F | 42.8 | Very low | 45.7 | Very low | 165 Ų | 165 | 135.4 Ų | 135.4 | 72% | 0.724 | 66% | 0.662 | S | S | * | * | trans | -51.3 | 96.6 | 138.8 | -97.5 | -94.1 | 0 | 0 | 0 | 104.2 | K98 | F96-K98 PolarHBondContact O-N 2.98Š| ||
| 97 | R | 37.8 | Very low | 47.6 | Very low | 200 Ų | 200 | 131.7 Ų | 131.7 | 76% | 0.755 | 65% | 0.647 | S | S | * | * | trans | -53.2 | 104.8 | 156 | -91.4 | 177.7 | 147.1 | 179.1 | -8.4 | 102.8 | N95 R99 | N95-R97 PolarHBondContact O-N 2.97Å; R97-R99 PolarHBondContact O-N 3.34Å | ||
| 98 | K | 36.3 | Very low | 50 | Low | 204 Ų | 204 | 129.7 Ų | 129.7 | 89% | 0.887 | 63% | 0.634 | S | S | * | * | trans | -56.9 | 69.1 | 155.8 | -84.1 | -178.6 | 171.9 | 176 | 0 | 106.6 | F96 K100 | F96-K98 PolarHBondContact O-N 2.98Å; K98-K100 PolarHBondContact O-N 3.01Å | ||
| 99 | R | 36 | Very low | 52.3 | Low | 170 Ų | 170 | 126.9 Ų | 126.9 | 64% | 0.642 | 62% | 0.619 | S | S | * | * | trans | -75.4 | 97.7 | 145.4 | -88.1 | -165.1 | -93.2 | 150.3 | -8.6 | 103.1 | R97 E101 | R97-R99 PolarHBondContact O-N 3.34Å; R99-E101 IonicContact NH1-OE2 3.85Å; R99-E101 PolarHBondContact O-N 3.45Å | ||
| 100 | K | 39.1 | Very low | 55 | Low | 201 Ų | 201 | 125.9 Ų | 125.9 | 87% | 0.874 | 60% | 0.6 | S | S | * | * | trans | -64.9 | 66.8 | 163.3 | -167.6 | -175.9 | -174.7 | -176.7 | 0 | 106.5 | K98 | K98-K100 PolarHBondContact O-N 3.01Š| ||
| 101 | E | 38.9 | Very low | 57.6 | Low | 145 Ų | 145 | 118.9 Ų | 118.9 | 68% | 0.678 | 57% | 0.574 | S | S | * | * | trans | -99.6 | 117.7 | 166.1 | -85.6 | 177.5 | 156 | 0 | 0 | 106.1 | R99 G103 | R99-E101 IonicContact NH1-OE2 3.85Å; R99-E101 PolarHBondContact O-N 3.45Å; E101-G103 PolarHBondContact O-N 2.98Å | ||
| 102 | K | 44.2 | Very low | 60.1 | Low | 202 Ų | 202 | 118.9 Ų | 118.9 | 88% | 0.878 | 57% | 0.57 | S | S | * | * | trans | -65.4 | 79.8 | -179.9 | -67.2 | 169.3 | 171.4 | -179.9 | 0 | 109.3 | ||||
| 103 | G | 53.2 | Low | 62.3 | Low | 28 Ų | 28 | 113 Ų | 113 | 29% | 0.289 | 55% | 0.553 | S | S | . | * | trans | -108.9 | 114 | 160.4 | 0 | 0 | 0 | 0 | 0 | 107.7 | E101 I105 N152 | E101-G103 PolarHBondContact O-N 2.98Å; G103-I105 PolarHBondContact O-N 3.49Å; G103-N152 WeakPolarHBondContact CA-OD1 3.26Å | ||
| 104 | V | 69.2 | Low | 65 | Low | 111 Ų | 111 | 109.6 Ų | 109.6 | 67% | 0.673 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -72.2 | -16.3 | -177.6 | -175.4 | 0 | 0 | 0 | 0 | 111.1 | ||
| 105 | I | 84.9 | Confident | 67.5 | Low | 11 Ų | 11 | 102.8 Ų | 102.8 | 6% | 0.056 | 50% | 0.501 | C | S | . | . | S | Bend | trans | -126.8 | -49.3 | -166.5 | -54.2 | -175.9 | 0 | 0 | 0 | 113.1 | G103 G107 A108 Q117 L151 N152 F176 | G103-I105 PolarHBondContact O-N 3.49Å; I105-G107 PolarHBondContact O-N 2.94Å; I105-A108 PolarHBondContact O-N 3.5Å; I105-Q117 HydrophobicContact CD1-CB 3.61Å; I105-Q117 HydrophobicContact CD1-CG 3.39Å; I105-L151 WeakPolarHBondContact CD1-O 3.2Å; I105-N152 PolarHBondContact N-OD1 3.3Å; I105-F176 HydrophobicContact CG2-CD2 4.17Å; I105-F176 HydrophobicContact CG2-CE2 3.65Å |
| 106 | F | 89.4 | Confident | 70.5 | Confident | 13 Ų | 13 | 97.7 Ų | 97.7 | 6% | 0.057 | 48% | 0.481 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 126.8 | -177.5 | -75.9 | -98.2 | 0 | 0 | 0 | 111.6 | A108 R148 L151 N152 V175 F176 E179 | F106-A108 PolarHBondContact O-N 3.41Å; F106-R148 HydrophobicContact CD2-CG 3.96Å; F106-R148 HydrophobicContact CE1-CG 4.47Å; F106-R148 HydrophobicContact CE2-CG 3.83Å; F106-R148 HydrophobicContact CG-CG 4.34Å; F106-R148 HydrophobicContact CZ-CG 4.1Å; F106-L151 HydrophobicContact CE2-CB 4.02Å; F106-L151 HydrophobicContact CE2-CD1 4.02Å; F106-L151 HydrophobicContact CZ-CD1 4.03Å; F106-N152 WeakPolarHBondContact CD2-OD1 3.35Å; F106-N152 PolarHBondContact N-OD1 3.43Å; F106-V175 HydrophobicContact CD1-CG1 4.41Å; F106-V175 HydrophobicContact CE1-CG1 4.36Å; F106-F176 HydrophobicContact CD1-CB 4.15Å; F106-F176 HydrophobicContact CD1-CD2 4.3Å; F106-F176 HydrophobicContact CE1-CB 3.7Å; F106-F176 HydrophobicContact CE1-CD2 4.4Å; F106-F176 HydrophobicContact CZ-CB 4.34Å; F106-E179 WeakPolarHBondContact CB-OE2 3.49Å |
| 107 | G | 86.8 | Confident | 72.9 | Confident | 35 Ų | 35 | 91.2 Ų | 91.2 | 36% | 0.361 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | -4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | I105 E179 | I105-G107 PolarHBondContact O-N 2.94Å; G107-E179 WeakPolarHBondContact CA-O 3.38Å |
| 108 | A | 89.3 | Confident | 75.7 | Confident | 25 Ų | 25 | 81.7 Ų | 81.7 | 21% | 0.207 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -86.2 | 160.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I105 F106 P181 | I105-A108 PolarHBondContact O-N 3.5Å; F106-A108 PolarHBondContact O-N 3.41Å; A108-P181 WeakPolarHBondContact O-CD 3.25Å |
| 109 | P | 91.4 | Very high | 78.5 | Confident | 94 Ų | 94 | 73.9 Ų | 73.9 | 61% | 0.61 | 39% | 0.388 | S | S | * | . | trans | -54.3 | 150.4 | 167.4 | -23.2 | 34.3 | 0 | 0 | 0 | 111.5 | T111 P181 | P109-T111 PolarHBondContact O-N 3.04Å; P109-P181 HydrophobicContact CG-CG 4.39Å | ||
| 110 | L | 92.5 | Very high | 81.3 | Confident | 33 Ų | 33 | 67.6 Ų | 67.6 | 17% | 0.173 | 37% | 0.365 | C | S | . | . | trans | -68.4 | 114.1 | -178.6 | -174 | 65.1 | 0 | 0 | 0 | 110.7 | I115 F176 L180 L184 A231 N232 L235 | L110-I115 HydrophobicContact CD1-CD1 4.27Å; L110-I115 HydrophobicContact CD1-CG1 3.72Å; L110-I115 HydrophobicContact CD2-CD1 4.35Å; L110-I115 HydrophobicContact CG-CD1 4.15Å; L110-I115 HydrophobicContact CG-CG1 4.15Å; L110-F176 HydrophobicContact CD1-CE1 4.16Å; L110-F176 HydrophobicContact CD1-CZ 3.81Å; L110-L180 HydrophobicContact CB-CD2 4.3Å; L110-L180 HydrophobicContact CD1-CD2 4.29Å; L110-L184 HydrophobicContact CD2-CD1 4.13Å; L110-A231 HydrophobicContact CD2-CB 4.06Å; L110-A231 HydrophobicContact CG-CB 4.21Å; L110-N232 HydrophobicContact CD2-CB 4.49Å; L110-L235 HydrophobicContact CD1-CD2 3.73Å; L110-L235 HydrophobicContact CD2-CB 4.43Å; L110-L235 HydrophobicContact CD2-CD2 4.12Å | ||
| 111 | T | 91.9 | Very high | 84.1 | Confident | 60 Ų | 60 | 58 Ų | 58 | 37% | 0.368 | 32% | 0.324 | S | S | . | . | trans | -115.1 | 167.9 | 175.3 | 77.2 | 0 | 0 | 0 | 0 | 111.8 | P109 E113 G114 I115 | P109-T111 PolarHBondContact O-N 3.04Å; T111-E113 VanDerWaalsContact C-N 3.33Å; T111-E113 VanDerWaalsContact CB-OE2 3.27Å; T111-E113 WeakPolarHBondContact CB-OE2 3.5Å; T111-E113 PolarHBondContact O-N 2.97Å; T111-E113 PolarHBondContact OG1-OE2 3.35Å; T111-G114 PolarHBondContact O-N 3.33Å; T111-G114 PolarHBondContact OG1-N 3.03Å; T111-I115 WeakPolarHBondContact O-CG1 3.43Å; T111-I115 PolarHBondContact O-N 2.92Å | ||
| 112 | E | 90.3 | Very high | 86.9 | Confident | 159 Ų | 159 | 51.9 Ų | 51.9 | 74% | 0.743 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -63.6 | -38.2 | 177.5 | -65.3 | -175 | 175.9 | 0 | 0 | 112 | I115 A116 | E112-I115 PolarHBondContact O-N 3.06Å; E112-A116 PolarHBondContact O-N 3.17Å |
| 113 | E | 89.2 | Confident | 89.4 | Confident | 124 Ų | 124 | 47.5 Ų | 47.5 | 58% | 0.579 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.8 | -42.7 | 175.3 | -56.9 | 77.4 | -169.7 | 0 | 0 | 111.1 | T111 I115 A116 Q117 | T111-E113 VanDerWaalsContact C-N 3.33Å; T111-E113 VanDerWaalsContact CB-OE2 3.27Å; T111-E113 WeakPolarHBondContact CB-OE2 3.5Å; T111-E113 PolarHBondContact O-N 2.97Å; T111-E113 PolarHBondContact OG1-OE2 3.35Å; E113-I115 VanDerWaalsContact C-N 3.3Å; E113-I115 PolarHBondContact O-N 3.04Å; E113-A116 PolarHBondContact O-N 3.34Å; E113-Q117 WeakPolarHBondContact O-CG 3.31Å; E113-Q117 PolarHBondContact O-N 3.16Å; E113-Q117 VanDerWaalsContact O-N 3.08Å |
| 114 | G | 91.8 | Very high | 91.5 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T111 Q117 I118 | T111-G114 PolarHBondContact O-N 3.33Å; T111-G114 PolarHBondContact OG1-N 3.03Å; G114-Q117 PolarHBondContact O-N 3.49Å; G114-I118 VanDerWaalsContact O-CG1 3.25Å; G114-I118 WeakPolarHBondContact O-CG1 3.45Å; G114-I118 PolarHBondContact O-N 3.38Å; G114-I118 VanDerWaalsContact O-N 3.1Å |
| 115 | I | 93.6 | Very high | 92.8 | Very high | 16 Ų | 16 | 41.6 Ų | 41.6 | 8% | 0.082 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -62.2 | -46.5 | 174.5 | -67.6 | 168.4 | 0 | 0 | 0 | 110.5 | L110 T111 E112 E113 Q117 I118 C119 A231 L235 | L110-I115 HydrophobicContact CD1-CD1 4.27Å; L110-I115 HydrophobicContact CD1-CG1 3.72Å; L110-I115 HydrophobicContact CD2-CD1 4.35Å; L110-I115 HydrophobicContact CG-CD1 4.15Å; L110-I115 HydrophobicContact CG-CG1 4.15Å; T111-I115 WeakPolarHBondContact O-CG1 3.43Å; T111-I115 PolarHBondContact O-N 2.92Å; E112-I115 PolarHBondContact O-N 3.06Å; E113-I115 VanDerWaalsContact C-N 3.3Å; E113-I115 PolarHBondContact O-N 3.04Å; I115-Q117 VanDerWaalsContact C-N 3.3Å; I115-Q117 PolarHBondContact O-N 2.98Å; I115-I118 CarbonylContact O-C 3.58Å; I115-I118 PolarHBondContact O-N 3.44Å; I115-I118 VanDerWaalsContact O-N 3.15Å; I115-C119 PolarHBondContact O-N 3.18Å; I115-C119 PolarHBondContact O-SG 3.33Å; I115-A231 HydrophobicContact CD1-CB 3.84Å; I115-A231 WeakPolarHBondContact CD1-O 3.37Å; I115-L235 HydrophobicContact CD1-CB 4.45Å; I115-L235 HydrophobicContact CG1-CB 4.35Å |
| 116 | A | 92.8 | Very high | 93.4 | Very high | 53 Ų | 53 | 43.8 Ų | 43.8 | 44% | 0.438 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58 | -40.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | E112 E113 C119 | E112-A116 PolarHBondContact O-N 3.17Å; E113-A116 PolarHBondContact O-N 3.34Å; A116-C119 WeakPolarHBondContact O-CB 3.22Å; A116-C119 PolarHBondContact O-N 3.19Å |
| 117 | Q | 93.3 | Very high | 93.8 | Very high | 28 Ų | 28 | 48.5 Ų | 48.5 | 13% | 0.131 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.7 | -39.4 | 177.6 | -64.2 | -66 | -35.8 | 0 | 0 | 111.9 | I105 E113 G114 I115 C119 Q120 L151 G154 T155 | I105-Q117 HydrophobicContact CD1-CB 3.61Å; I105-Q117 HydrophobicContact CD1-CG 3.39Å; E113-Q117 WeakPolarHBondContact O-CG 3.31Å; E113-Q117 PolarHBondContact O-N 3.16Å; E113-Q117 VanDerWaalsContact O-N 3.08Å; G114-Q117 PolarHBondContact O-N 3.49Å; I115-Q117 VanDerWaalsContact C-N 3.3Å; I115-Q117 PolarHBondContact O-N 2.98Å; Q117-C119 VanDerWaalsContact C-N 3.31Å; Q117-C119 PolarHBondContact O-N 2.75Å; Q117-Q120 WeakPolarHBondContact O-CB 3.44Å; Q117-Q120 PolarHBondContact O-N 2.63Å; Q117-L151 HydrophobicContact CB-CD2 4.17Å; Q117-L151 WeakPolarHBondContact O-CD2 3.38Å; Q117-G154 PolarHBondContact NE2-O 3.5Å; Q117-G154 VanDerWaalsContact NE2-O 3.12Å; Q117-T155 PolarHBondContact OE1-O 3.46Å |
| 118 | I | 94.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.4 | -27.8 | 176.4 | -64.4 | -63.8 | 0 | 0 | 0 | 112.2 | G114 I115 Q120 L121 I122 L173 F176 L235 | G114-I118 VanDerWaalsContact O-CG1 3.25Å; G114-I118 WeakPolarHBondContact O-CG1 3.45Å; G114-I118 PolarHBondContact O-N 3.38Å; G114-I118 VanDerWaalsContact O-N 3.1Å; I115-I118 CarbonylContact O-C 3.58Å; I115-I118 PolarHBondContact O-N 3.44Å; I115-I118 VanDerWaalsContact O-N 3.15Å; I118-Q120 PolarHBondContact O-N 3.41Å; I118-L121 HydrophobicContact CD1-CD1 4.15Å; I118-L121 WeakPolarHBondContact O-CB 3.39Å; I118-L121 PolarHBondContact O-N 3.05Å; I118-L121 VanDerWaalsContact O-N 3.11Å; I118-I122 HydrophobicContact CG2-CD1 4.19Å; I118-I122 HydrophobicContact CG2-CG1 4.46Å; I118-I122 PolarHBondContact O-N 2.94Å; I118-L173 HydrophobicContact CG2-CD1 3.44Å; I118-L173 VanDerWaalsContact CG2-CD1 3.44Å; I118-F176 HydrophobicContact CB-CE1 4.44Å; I118-F176 HydrophobicContact CD1-CB 3.79Å; I118-F176 HydrophobicContact CD1-CD1 3.79Å; I118-F176 HydrophobicContact CD1-CD2 3.64Å; I118-F176 HydrophobicContact CD1-CE1 4.3Å; I118-F176 HydrophobicContact CD1-CE2 4.17Å; I118-F176 HydrophobicContact CD1-CG 3.43Å; I118-F176 VanDerWaalsContact CD1-CG 3.43Å; I118-F176 HydrophobicContact CD1-CZ 4.46Å; I118-F176 HydrophobicContact CG1-CD1 3.7Å; I118-F176 HydrophobicContact CG1-CD2 3.85Å; I118-F176 HydrophobicContact CG1-CE1 3.69Å; I118-F176 HydrophobicContact CG1-CE2 3.85Å; I118-F176 HydrophobicContact CG1-CG 3.77Å; I118-F176 HydrophobicContact CG1-CZ 3.76Å; I118-F176 HydrophobicContact CG2-CD1 4.22Å; I118-F176 HydrophobicContact CG2-CE1 4.37Å; I118-L235 HydrophobicContact CG2-CD1 4.16Å |
| 119 | C | 95.4 | Very high | 94.6 | Very high | 40 Ų | 40 | 48.1 Ų | 48.1 | 27% | 0.27 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -58.7 | -35.3 | 172.6 | -74.6 | 0 | 0 | 0 | 0 | 112.2 | I115 A116 Q117 L121 I122 E123 L238 | I115-C119 PolarHBondContact O-N 3.18Å; I115-C119 PolarHBondContact O-SG 3.33Å; A116-C119 WeakPolarHBondContact O-CB 3.22Å; A116-C119 PolarHBondContact O-N 3.19Å; Q117-C119 VanDerWaalsContact C-N 3.31Å; Q117-C119 PolarHBondContact O-N 2.75Å; C119-L121 VanDerWaalsContact C-N 3.3Å; C119-L121 PolarHBondContact O-N 3.04Å; C119-I122 PolarHBondContact O-N 3.01Å; C119-I122 VanDerWaalsContact O-N 3.16Å; C119-E123 WeakPolarHBondContact O-CB 3.4Å; C119-E123 PolarHBondContact O-N 3.22Å; C119-L238 VanDerWaalsContact SG-CD1 3.53Å |
| 120 | Q | 95.3 | Very high | 94.9 | Very high | 38 Ų | 38 | 48.4 Ų | 48.4 | 18% | 0.178 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -59.1 | -42.5 | 175.3 | -61.6 | 178.4 | 53.2 | 0 | 0 | 111.2 | Q117 I118 Y124 | Q117-Q120 WeakPolarHBondContact O-CB 3.44Å; Q117-Q120 PolarHBondContact O-N 2.63Å; I118-Q120 PolarHBondContact O-N 3.41Å; Q120-Y124 WeakPolarHBondContact O-CB 3.5Å; Q120-Y124 PolarHBondContact O-N 3.19Å |
| 121 | L | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.4 | -43.6 | 175 | -58.3 | -174.3 | 0 | 0 | 0 | 111.7 | I118 C119 E123 Y124 L125 L147 L151 L159 A169 L172 | I118-L121 HydrophobicContact CD1-CD1 4.15Å; I118-L121 WeakPolarHBondContact O-CB 3.39Å; I118-L121 PolarHBondContact O-N 3.05Å; I118-L121 VanDerWaalsContact O-N 3.11Å; C119-L121 VanDerWaalsContact C-N 3.3Å; C119-L121 PolarHBondContact O-N 3.04Å; L121-E123 VanDerWaalsContact C-N 3.34Å; L121-Y124 PolarHBondContact O-N 3Å; L121-L125 WeakPolarHBondContact O-CB 3.37Å; L121-L125 WeakPolarHBondContact O-CD1 3.41Å; L121-L125 WeakPolarHBondContact O-CG 3.31Å; L121-L125 PolarHBondContact O-N 2.84Å; L121-L147 HydrophobicContact CD2-CD1 4.4Å; L121-L147 HydrophobicContact CD2-CD2 4.05Å; L121-L147 HydrophobicContact CD2-CG 4.41Å; L121-L151 HydrophobicContact CD1-CD1 3.85Å; L121-L151 HydrophobicContact CD2-CD1 4.17Å; L121-L151 HydrophobicContact CG-CD1 4.2Å; L121-L151 HydrophobicContact CG-CD2 4.48Å; L121-L159 HydrophobicContact CD2-CD1 4.18Å; L121-A169 HydrophobicContact CD2-CB 3.96Å; L121-L172 HydrophobicContact CD1-CB 4.13Å |
| 122 | I | 97.7 | Very high | 95.4 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.082 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.3 | -44 | 179.9 | -69 | 174.1 | 0 | 0 | 0 | 110.6 | I118 C119 L125 S126 L173 L235 L238 L242 | I118-I122 HydrophobicContact CG2-CD1 4.19Å; I118-I122 HydrophobicContact CG2-CG1 4.46Å; I118-I122 PolarHBondContact O-N 2.94Å; C119-I122 PolarHBondContact O-N 3.01Å; C119-I122 VanDerWaalsContact O-N 3.16Å; I122-L125 PolarHBondContact O-N 2.89Å; I122-S126 WeakPolarHBondContact O-CB 3.49Å; I122-S126 PolarHBondContact O-N 3.26Å; I122-L173 HydrophobicContact CG1-CD1 4.26Å; I122-L173 HydrophobicContact CG1-CD2 4.18Å; I122-L235 HydrophobicContact CD1-CD1 4.05Å; I122-L238 HydrophobicContact CD1-CB 3.95Å; I122-L242 HydrophobicContact CB-CD2 4.44Å; I122-L242 HydrophobicContact CG1-CD2 4.28Å; I122-L242 HydrophobicContact CG2-CB 4.31Å; I122-L242 HydrophobicContact CG2-CD2 4.21Å |
| 123 | E | 96.8 | Very high | 95.7 | Very high | 110 Ų | 110 | 43.1 Ų | 43.1 | 51% | 0.514 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -63.7 | -48.8 | 178.7 | -168.8 | -172.5 | 150.3 | 0 | 0 | 111.2 | C119 L121 L125 S126 K127 | C119-E123 WeakPolarHBondContact O-CB 3.4Å; C119-E123 PolarHBondContact O-N 3.22Å; L121-E123 VanDerWaalsContact C-N 3.34Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 2.87Å; E123-S126 WeakPolarHBondContact O-CB 3.24Å; E123-S126 PolarHBondContact O-N 3.47Å; E123-S126 VanDerWaalsContact O-N 3.12Å; E123-S126 PolarHBondContact O-OG 2.97Å; E123-K127 PolarHBondContact O-N 3.16Å; E123-K127 WeakPolarHBondContact OE1-CE 3.45Å; E123-K127 IonicContact OE1-NZ 2.73Å; E123-K127 PolarHBondContact OE1-NZ 2.92Å |
| 124 | Y | 97.2 | Very high | 96.1 | Very high | 16 Ų | 16 | 37.2 Ų | 37.2 | 6% | 0.063 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -58.8 | -42.9 | 176.7 | 177.1 | -120.6 | 0 | 0 | 0 | 112.3 | Q120 L121 S126 K127 N128 L159 F164 P166 A169 | Q120-Y124 WeakPolarHBondContact O-CB 3.5Å; Q120-Y124 PolarHBondContact O-N 3.19Å; L121-Y124 PolarHBondContact O-N 3Å; Y124-S126 VanDerWaalsContact C-N 3.32Å; Y124-S126 PolarHBondContact O-N 3.23Å; Y124-K127 PolarHBondContact O-N 3.3Å; Y124-N128 WeakPolarHBondContact CD2-ND2 3.46Å; Y124-N128 WeakPolarHBondContact CE2-ND2 3.27Å; Y124-N128 PolarHBondContact O-N 3.4Å; Y124-N128 PolarHBondContact O-ND2 3.18Å; Y124-L159 VanDerWaalsContact CB-CD1 3.47Å; Y124-L159 HydrophobicContact CD1-CB 4.03Å; Y124-L159 HydrophobicContact CD1-CD1 3.94Å; Y124-L159 HydrophobicContact CD1-CG 4.39Å; Y124-L159 HydrophobicContact CD2-CB 3.53Å; Y124-L159 HydrophobicContact CE1-CB 4.33Å; Y124-L159 HydrophobicContact CE2-CB 3.9Å; Y124-L159 WeakPolarHBondContact CE2-O 3.25Å; Y124-L159 HydrophobicContact CG-CB 3.61Å; Y124-L159 HydrophobicContact CG-CD1 3.74Å; Y124-L159 HydrophobicContact CG-CG 4.23Å; Y124-F164 PolarHBondContact OH-O 3.23Å; Y124-P166 HydrophobicContact CE1-CB 4.39Å; Y124-P166 HydrophobicContact CE1-CG 4.14Å; Y124-A169 HydrophobicContact CD1-CB 3.92Å; Y124-A169 HydrophobicContact CE1-CB 4.3Å |
| 125 | L | 97.8 | Very high | 96.4 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -66 | -34.6 | 176.8 | -69.5 | 167.8 | 0 | 0 | 0 | 112.4 | L121 I122 E123 K127 N128 L129 L134 F135 P166 A169 A170 L173 L242 | L121-L125 WeakPolarHBondContact O-CB 3.37Å; L121-L125 WeakPolarHBondContact O-CD1 3.41Å; L121-L125 WeakPolarHBondContact O-CG 3.31Å; L121-L125 PolarHBondContact O-N 2.84Å; I122-L125 PolarHBondContact O-N 2.89Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 2.87Å; L125-K127 PolarHBondContact O-N 3.22Å; L125-N128 CarbonylContact O-C 3.51Å; L125-N128 PolarHBondContact O-N 2.91Å; L125-L129 WeakPolarHBondContact O-CD2 3Å; L125-L129 PolarHBondContact O-N 3.49Å; L125-L134 HydrophobicContact CD2-CD1 3.92Å; L125-L134 HydrophobicContact CD2-CD2 4.46Å; L125-F135 HydrophobicContact CD1-CE1 3.97Å; L125-F135 HydrophobicContact CD1-CZ 4Å; L125-P166 HydrophobicContact CD2-CB 4.44Å; L125-P166 WeakPolarHBondContact CD2-O 2.87Å; L125-A169 HydrophobicContact CD1-CB 4.43Å; L125-A169 HydrophobicContact CD2-CB 4.11Å; L125-A169 HydrophobicContact CG-CB 4.19Å; L125-A170 HydrophobicContact CD2-CB 3.9Å; L125-L173 HydrophobicContact CD1-CD2 3.98Å; L125-L242 HydrophobicContact CB-CD1 3.88Å; L125-L242 HydrophobicContact CB-CD2 4Å; L125-L242 HydrophobicContact CD1-CD2 4.03Å |
| 126 | S | 97.3 | Very high | 96.5 | Very high | 57 Ų | 57 | 42.5 Ų | 42.5 | 40% | 0.399 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -65 | -26.6 | 177.9 | 79.1 | 0 | 0 | 0 | 0 | 113.1 | I122 E123 Y124 L129 | I122-S126 WeakPolarHBondContact O-CB 3.49Å; I122-S126 PolarHBondContact O-N 3.26Å; E123-S126 WeakPolarHBondContact O-CB 3.24Å; E123-S126 PolarHBondContact O-N 3.47Å; E123-S126 VanDerWaalsContact O-N 3.12Å; E123-S126 PolarHBondContact O-OG 2.97Å; Y124-S126 VanDerWaalsContact C-N 3.32Å; Y124-S126 PolarHBondContact O-N 3.23Å; S126-L129 WeakPolarHBondContact O-CD1 3.43Å; S126-L129 WeakPolarHBondContact O-CG 3.44Å |
| 127 | K | 96.6 | Very high | 96.8 | Very high | 111 Ų | 111 | 42.7 Ų | 42.7 | 48% | 0.483 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -81.4 | -22.4 | 173.5 | -62.8 | 170.8 | -171.4 | 166.3 | 0 | 112.2 | E123 Y124 L125 E160 | E123-K127 PolarHBondContact O-N 3.16Å; E123-K127 WeakPolarHBondContact OE1-CE 3.45Å; E123-K127 IonicContact OE1-NZ 2.73Å; E123-K127 PolarHBondContact OE1-NZ 2.92Å; Y124-K127 PolarHBondContact O-N 3.3Å; L125-K127 PolarHBondContact O-N 3.22Å; K127-E160 WeakPolarHBondContact CD-OE1 3.16Å; K127-E160 IonicContact NZ-OE1 3.42Å |
| 128 | N | 97.1 | Very high | 96.9 | Very high | 27 Ų | 27 | 45.9 Ų | 45.9 | 14% | 0.144 | 23% | 0.232 | C | C | . | . | trans | -112.6 | 33.6 | -171 | -71.6 | -73.3 | 0 | 0 | 0 | 114.2 | Y124 L125 H130 V131 P166 | Y124-N128 WeakPolarHBondContact CD2-ND2 3.46Å; Y124-N128 WeakPolarHBondContact CE2-ND2 3.27Å; Y124-N128 PolarHBondContact O-N 3.4Å; Y124-N128 PolarHBondContact O-ND2 3.18Å; L125-N128 CarbonylContact O-C 3.51Å; L125-N128 PolarHBondContact O-N 2.91Å; N128-H130 PolarHBondContact O-N 3.12Å; N128-H130 VanDerWaalsContact O-N 3.1Å; N128-V131 HydrophobicContact CB-CG2 4.43Å; N128-V131 WeakPolarHBondContact O-CG2 3.47Å; N128-V131 PolarHBondContact O-N 2.63Å; N128-P166 HydrophobicContact CB-CB 4Å; N128-P166 HydrophobicContact CB-CG 3.72Å | ||
| 129 | L | 97.6 | Very high | 96.9 | Very high | 25 Ų | 25 | 46.6 Ų | 46.6 | 13% | 0.131 | 24% | 0.239 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -12.2 | -176 | -61.1 | 174.5 | 0 | 0 | 0 | 115 | L125 S126 V131 L242 H245 T246 N253 | L125-L129 WeakPolarHBondContact O-CD2 3Å; L125-L129 PolarHBondContact O-N 3.49Å; S126-L129 WeakPolarHBondContact O-CD1 3.43Å; S126-L129 WeakPolarHBondContact O-CG 3.44Å; L129-V131 VanDerWaalsContact C-N 3.35Å; L129-L242 HydrophobicContact CD2-CD1 3.96Å; L129-H245 HydrophobicContact CD1-CB 3.72Å; L129-T246 WeakPolarHBondContact CD2-OG1 3.04Å; L129-N253 WeakPolarHBondContact O-CB 3.33Å; L129-N253 PolarHBondContact O-ND2 3.4Å |
| 130 | H | 96.6 | Very high | 97 | Very high | 100 Ų | 100 | 49.1 Ų | 49.1 | 46% | 0.463 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -16 | -177.2 | 62.1 | -85.4 | 0 | 0 | 0 | 113.4 | N128 E132 M252 | N128-H130 PolarHBondContact O-N 3.12Å; N128-H130 VanDerWaalsContact O-N 3.1Å; H130-E132 PolarHBondContact O-N 2.95Å; H130-M252 HydrophobicContact CB-CE 3.62Å; H130-M252 HydrophobicContact CB-SD 4.09Å |
| 131 | V | 97.4 | Very high | 97 | Very high | 20 Ų | 20 | 51.7 Ų | 51.7 | 12% | 0.121 | 27% | 0.269 | C | S | . | . | S | Bend | trans | -61.8 | 124 | -175.8 | 174.5 | 0 | 0 | 0 | 0 | 111.4 | N128 L129 G133 L134 P166 N253 | N128-V131 HydrophobicContact CB-CG2 4.43Å; N128-V131 WeakPolarHBondContact O-CG2 3.47Å; N128-V131 PolarHBondContact O-N 2.63Å; L129-V131 VanDerWaalsContact C-N 3.35Å; V131-G133 PolarHBondContact O-N 3.48Å; V131-L134 HydrophobicContact CB-CD1 4.29Å; V131-L134 HydrophobicContact CG1-CD1 4.36Å; V131-L134 PolarHBondContact O-N 2.67Å; V131-P166 HydrophobicContact CG2-CB 3.96Å; V131-P166 HydrophobicContact CG2-CG 3.9Å; V131-N253 WeakPolarHBondContact O-CB 3.25Å |
| 132 | E | 97.4 | Very high | 97 | Very high | 122 Ų | 122 | 58.1 Ų | 58.1 | 57% | 0.57 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 130.2 | -179 | -172.3 | 172.5 | 167.3 | 0 | 0 | 112.3 | H130 L134 K254 | H130-E132 PolarHBondContact O-N 2.95Å; E132-L134 VanDerWaalsContact C-N 3.29Å; E132-L134 PolarHBondContact O-N 2.74Å; E132-K254 HydrophobicContact CG-CG 4.01Å |
| 133 | G | 96.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67 | 27.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V131 F135 R136 V137 N253 | V131-G133 PolarHBondContact O-N 3.48Å; G133-F135 PolarHBondContact O-N 3.18Å; G133-R136 WeakPolarHBondContact O-CA 3.36Å; G133-R136 VanDerWaalsContact O-CB 3.32Å; G133-R136 WeakPolarHBondContact O-CB 3.47Å; G133-R136 PolarHBondContact O-N 3.1Å; G133-V137 PolarHBondContact O-N 3.3Å; G133-N253 PolarHBondContact N-O 2.94Å |
| 134 | L | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.9 | 134.4 | 175.7 | -167.4 | 65.3 | 0 | 0 | 0 | 111 | L125 V131 E132 R136 P166 A170 T246 M255 | L125-L134 HydrophobicContact CD2-CD1 3.92Å; L125-L134 HydrophobicContact CD2-CD2 4.46Å; V131-L134 HydrophobicContact CB-CD1 4.29Å; V131-L134 HydrophobicContact CG1-CD1 4.36Å; V131-L134 PolarHBondContact O-N 2.67Å; E132-L134 VanDerWaalsContact C-N 3.29Å; E132-L134 PolarHBondContact O-N 2.74Å; L134-R136 PolarHBondContact O-N 2.93Å; L134-R136 VanDerWaalsContact O-N 3.08Å; L134-P166 HydrophobicContact CD1-CB 4.17Å; L134-A170 HydrophobicContact CD1-CB 3.94Å; L134-A170 HydrophobicContact CG-CB 4.47Å; L134-T246 HydrophobicContact CD2-CG2 4.28Å; L134-M255 WeakPolarHBondContact O-CG 3.37Å |
| 135 | F | 98 | Very high | 96.7 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 67.5 | -17.9 | -169.3 | -52.9 | -74.2 | 0 | 0 | 0 | 116.5 | L125 G133 A170 L173 K174 L242 L243 T246 L260 M263 F264 | L125-F135 HydrophobicContact CD1-CE1 3.97Å; L125-F135 HydrophobicContact CD1-CZ 4Å; G133-F135 PolarHBondContact O-N 3.18Å; F135-A170 HydrophobicContact CD1-CB 3.54Å; F135-A170 HydrophobicContact CE1-CB 3.72Å; F135-A170 HydrophobicContact CG-CB 4.2Å; F135-L173 HydrophobicContact CE1-CD2 4.03Å; F135-L173 HydrophobicContact CZ-CD2 4.45Å; F135-K174 HydrophobicContact CB-CD 4.47Å; F135-K174 HydrophobicContact CD1-CG 4.44Å; F135-K174 WeakPolarHBondContact O-CE 3.43Å; F135-K174 PolarHBondContact O-NZ 2.62Å; F135-L242 HydrophobicContact CZ-CD2 3.85Å; F135-L242 HydrophobicContact CZ-CG 4.3Å; F135-L243 HydrophobicContact CD2-CD2 4.29Å; F135-L243 HydrophobicContact CE2-CD2 3.97Å; F135-L243 HydrophobicContact CZ-CD2 4.33Å; F135-T246 HydrophobicContact CD2-CG2 4.36Å; F135-T246 HydrophobicContact CE2-CG2 4.25Å; F135-L260 HydrophobicContact CB-CD2 4.33Å; F135-L260 HydrophobicContact CD2-CD2 3.68Å; F135-L260 HydrophobicContact CE2-CD2 4.49Å; F135-L260 HydrophobicContact CG-CD2 4.38Å; F135-M263 HydrophobicContact CB-CE 3.47Å; F135-M263 VanDerWaalsContact CB-CE 3.47Å; F135-M263 WeakPolarHBondContact O-CE 3.2Å; F135-F264 HydrophobicContact CB-CE2 3.98Å; F135-F264 AromaticContact CD1-CE2 3.71Å; F135-F264 HydrophobicContact CD1-CE2 3.71Å; F135-F264 AromaticContact CD1-CZ 3.49Å; F135-F264 HydrophobicContact CD1-CZ 3.49Å; F135-F264 VanDerWaalsContact CD1-CZ 3.49Å; F135-F264 HydrophobicContact CD2-CE2 4.14Å; F135-F264 HydrophobicContact CE1-CE2 4.23Å; F135-F264 AromaticContact CE1-CZ 3.7Å; F135-F264 HydrophobicContact CE1-CZ 3.7Å; F135-F264 AromaticContact CG-CE2 3.67Å; F135-F264 HydrophobicContact CG-CE2 3.67Å; F135-F264 AromaticContact CG-CZ 3.97Å; F135-F264 HydrophobicContact CG-CZ 3.97Å; F135-F264 HydrophobicContact CZ-CZ 4.28Å |
| 136 | R | 97.4 | Very high | 96.6 | Very high | 130 Ų | 130 | 61.7 Ų | 61.7 | 49% | 0.491 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -47.7 | 176.8 | -177.8 | -177.4 | 68.5 | 168.8 | -0.8 | 111.8 | G133 L134 M255 M263 | G133-R136 WeakPolarHBondContact O-CA 3.36Å; G133-R136 VanDerWaalsContact O-CB 3.32Å; G133-R136 WeakPolarHBondContact O-CB 3.47Å; G133-R136 PolarHBondContact O-N 3.1Å; L134-R136 PolarHBondContact O-N 2.93Å; L134-R136 VanDerWaalsContact O-N 3.08Å; R136-M255 HydrophobicContact CB-CE 4Å; R136-M255 HydrophobicContact CB-SD 3.84Å; R136-M263 WeakPolarHBondContact CA-SD 3.32Å; R136-M263 HydrophobicContact CB-CE 3.96Å; R136-M263 HydrophobicContact CB-SD 3.74Å; R136-M263 HydrophobicContact CG-SD 4.22Å |
| 137 | V | 97.3 | Very high | 96.5 | Very high | 56 Ų | 56 | 59 Ų | 59 | 34% | 0.339 | 31% | 0.314 | S | S | . | . | S | Bend | trans | -77.3 | 125 | 179.1 | -179.7 | 0 | 0 | 0 | 0 | 108.6 | G133 | G133-V137 PolarHBondContact O-N 3.3Š|
| 138 | P | 95.7 | Very high | 96.4 | Very high | 96 Ų | 96 | 56.9 Ų | 56.9 | 62% | 0.623 | 30% | 0.303 | S | S | * | . | trans | -67.8 | 145.9 | 175.3 | 29.4 | -34.1 | 0 | 0 | 0 | 110.5 | ||||
| 139 | G | 95.5 | Very high | 96.3 | Very high | 14 Ų | 14 | 61.5 Ų | 61.5 | 14% | 0.144 | 32% | 0.323 | C | S | . | . | trans | -72.6 | -176.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q144 D168 T171 | G139-Q144 VanDerWaalsContact CA-NE2 3.32Å; G139-Q144 PolarHBondContact O-NE2 3.01Å; G139-D168 WeakPolarHBondContact CA-OD1 3.26Å; G139-T171 PolarHBondContact N-OG1 3.24Å; G139-T171 VanDerWaalsContact N-OG1 3.08Å | ||
| 140 | H | 97 | Very high | 96 | Very high | 94 Ų | 94 | 63.2 Ų | 63.2 | 44% | 0.435 | 33% | 0.331 | S | S | . | . | trans | -83 | 123.2 | 173.2 | -169.6 | -84 | 0 | 0 | 0 | 111.4 | L142 R143 Q144 D168 | H140-L142 PolarHBondContact ND1-N 2.95Å; H140-L142 PolarHBondContact O-N 3.31Å; H140-R143 HydrophobicContact CB-CB 4.5Å; H140-R143 VanDerWaalsContact CB-CZ 3.47Å; H140-R143 VanDerWaalsContact CB-NH2 3.29Å; H140-R143 PolarHBondContact O-N 3.09Å; H140-R143 VanDerWaalsContact O-N 3.15Å; H140-Q144 WeakPolarHBondContact O-CG 3.45Å; H140-Q144 PolarHBondContact O-N 3.46Å; H140-Q144 PolarHBondContact O-NE2 3.37Å; H140-D168 PolarHBondContact N-OD1 3.03Å | ||
| 141 | S | 95.6 | Very high | 95.8 | Very high | 91 Ų | 91 | 58.5 Ų | 58.5 | 64% | 0.636 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -59.2 | -39.1 | -170 | -50.9 | 0 | 0 | 0 | 0 | 114.3 | Q144 A145 | S141-Q144 PolarHBondContact O-N 3.44Å; S141-A145 PolarHBondContact O-N 3.36Å |
| 142 | L | 96.3 | Very high | 95.5 | Very high | 135 Ų | 135 | 58.3 Ų | 58.3 | 71% | 0.707 | 31% | 0.308 | S | S | * | . | H | α-helix | trans | -65.9 | -39.7 | 178.8 | -65.9 | 179.1 | 0 | 0 | 0 | 112.4 | H140 A145 A146 | H140-L142 PolarHBondContact ND1-N 2.95Å; H140-L142 PolarHBondContact O-N 3.31Å; L142-A145 PolarHBondContact O-N 3.16Å; L142-A146 PolarHBondContact O-N 3.01Å; L142-A146 VanDerWaalsContact O-N 3.11Å |
| 143 | R | 96.4 | Very high | 95.1 | Very high | 91 Ų | 91 | 57.7 Ų | 57.7 | 34% | 0.343 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -71.8 | -37.6 | 178.7 | -67.8 | -164.7 | -58.4 | -105.5 | 0.6 | 111.1 | H140 A145 A146 L147 D163 F164 D168 | H140-R143 HydrophobicContact CB-CB 4.5Å; H140-R143 VanDerWaalsContact CB-CZ 3.47Å; H140-R143 VanDerWaalsContact CB-NH2 3.29Å; H140-R143 PolarHBondContact O-N 3.09Å; H140-R143 VanDerWaalsContact O-N 3.15Å; R143-A145 VanDerWaalsContact C-N 3.32Å; R143-A145 PolarHBondContact O-N 3.45Å; R143-A146 PolarHBondContact O-N 3.03Å; R143-L147 VanDerWaalsContact O-CB 3.27Å; R143-L147 WeakPolarHBondContact O-CB 3.2Å; R143-L147 PolarHBondContact O-N 3.25Å; R143-D163 WeakPolarHBondContact CD-O 3.07Å; R143-F164 HydrophobicContact CB-CD1 4.09Å; R143-F164 HydrophobicContact CB-CE1 4.35Å; R143-F164 WeakPolarHBondContact O-CE1 3.25Å; R143-D168 IonicContact CZ-OD2 3.4Å; R143-D168 IonicContact NE-OD1 3.92Å; R143-D168 IonicContact NE-OD2 2.71Å; R143-D168 PolarHBondContact NE-OD2 3.46Å; R143-D168 IonicContact NH2-OD1 3.49Å; R143-D168 PolarHBondContact NH2-OD1 3.33Å; R143-D168 IonicContact NH2-OD2 3.18Å; R143-D168 PolarHBondContact NH2-OD2 3.48Å |
| 144 | Q | 96 | Very high | 94.6 | Very high | 27 Ų | 27 | 59.6 Ų | 59.6 | 13% | 0.126 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 171.4 | -70.4 | 171.8 | 59.3 | 0 | 0 | 112.3 | G139 H140 S141 R148 D168 L172 | G139-Q144 VanDerWaalsContact CA-NE2 3.32Å; G139-Q144 PolarHBondContact O-NE2 3.01Å; H140-Q144 WeakPolarHBondContact O-CG 3.45Å; H140-Q144 PolarHBondContact O-N 3.46Å; H140-Q144 PolarHBondContact O-NE2 3.37Å; S141-Q144 PolarHBondContact O-N 3.44Å; Q144-R148 WeakPolarHBondContact O-CB 3.21Å; Q144-R148 PolarHBondContact O-N 3.36Å; Q144-D168 HydrophobicContact CG-CB 4.02Å; Q144-L172 HydrophobicContact CB-CD2 4.16Å; Q144-L172 HydrophobicContact CB-CG 4.25Å; Q144-L172 HydrophobicContact CG-CG 4.34Å |
| 145 | A | 94.9 | Very high | 94 | Very high | 58 Ų | 58 | 62.6 Ų | 62.6 | 48% | 0.479 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.7 | -46.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S141 L142 R143 R148 E149 | S141-A145 PolarHBondContact O-N 3.36Å; L142-A145 PolarHBondContact O-N 3.16Å; R143-A145 VanDerWaalsContact C-N 3.32Å; R143-A145 PolarHBondContact O-N 3.45Å; A145-R148 PolarHBondContact O-N 3.14Å; A145-E149 PolarHBondContact O-N 3.02Å |
| 146 | A | 95 | Very high | 93.5 | Very high | 42 Ų | 42 | 71 Ų | 71 | 35% | 0.347 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.3 | -48.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L142 R143 R148 E149 M150 F164 | L142-A146 PolarHBondContact O-N 3.01Å; L142-A146 VanDerWaalsContact O-N 3.11Å; R143-A146 PolarHBondContact O-N 3.03Å; A146-R148 VanDerWaalsContact C-N 3.31Å; A146-R148 PolarHBondContact O-N 3.07Å; A146-E149 WeakPolarHBondContact O-CB 3.38Å; A146-E149 PolarHBondContact O-N 3.04Å; A146-E149 VanDerWaalsContact O-N 3.12Å; A146-M150 WeakPolarHBondContact O-CG 3.45Å; A146-M150 PolarHBondContact O-N 3.04Å; A146-F164 HydrophobicContact CB-CE1 4.38Å |
| 147 | L | 95.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.3 | -39.7 | 178.6 | -178.2 | 53.6 | 0 | 0 | 0 | 111.7 | L121 R143 E149 M150 L151 I157 L159 F164 A169 L172 | L121-L147 HydrophobicContact CD2-CD1 4.4Å; L121-L147 HydrophobicContact CD2-CD2 4.05Å; L121-L147 HydrophobicContact CD2-CG 4.41Å; R143-L147 VanDerWaalsContact O-CB 3.27Å; R143-L147 WeakPolarHBondContact O-CB 3.2Å; R143-L147 PolarHBondContact O-N 3.25Å; L147-E149 PolarHBondContact O-N 3.23Å; L147-M150 PolarHBondContact O-N 3.41Å; L147-L151 HydrophobicContact CG-CD1 4.36Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 3.49Å; L147-L151 PolarHBondContact O-N 3.08Å; L147-I157 HydrophobicContact CD1-CD1 3.48Å; L147-I157 VanDerWaalsContact CD1-CD1 3.48Å; L147-I157 HydrophobicContact CD1-CG2 4.05Å; L147-L159 HydrophobicContact CD1-CD2 3.88Å; L147-L159 HydrophobicContact CD2-CD2 4.34Å; L147-F164 HydrophobicContact CB-CD1 3.85Å; L147-F164 HydrophobicContact CB-CE1 3.6Å; L147-F164 HydrophobicContact CB-CZ 4.17Å; L147-F164 HydrophobicContact CD1-CE2 4.47Å; L147-F164 HydrophobicContact CD1-CZ 4.44Å; L147-F164 HydrophobicContact CD2-CD1 4.1Å; L147-F164 HydrophobicContact CD2-CG 4.28Å; L147-F164 HydrophobicContact CG-CD1 4.39Å; L147-F164 HydrophobicContact CG-CE1 4.46Å; L147-A169 HydrophobicContact CD2-CB 4.43Å; L147-L172 HydrophobicContact CB-CD1 3.65Å; L147-L172 HydrophobicContact CD2-CD1 3.68Å; L147-L172 HydrophobicContact CG-CD1 3.5Å; L147-L172 VanDerWaalsContact CG-CD1 3.5Å |
| 148 | R | 94.8 | Very high | 92.8 | Very high | 67 Ų | 67 | 67.7 Ų | 67.7 | 25% | 0.253 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -63.1 | -40 | 174.6 | 179.8 | 178.7 | 177.6 | 120 | -1.6 | 112.4 | F106 Q144 A145 A146 N152 L172 E179 | F106-R148 HydrophobicContact CD2-CG 3.96Å; F106-R148 HydrophobicContact CE1-CG 4.47Å; F106-R148 HydrophobicContact CE2-CG 3.83Å; F106-R148 HydrophobicContact CG-CG 4.34Å; F106-R148 HydrophobicContact CZ-CG 4.1Å; Q144-R148 WeakPolarHBondContact O-CB 3.21Å; Q144-R148 PolarHBondContact O-N 3.36Å; A145-R148 PolarHBondContact O-N 3.14Å; A146-R148 VanDerWaalsContact C-N 3.31Å; A146-R148 PolarHBondContact O-N 3.07Å; R148-N152 WeakPolarHBondContact O-CB 3.33Å; R148-N152 PolarHBondContact O-N 2.98Å; R148-N152 PolarHBondContact O-ND2 3.05Å; R148-L172 HydrophobicContact CB-CD1 4.29Å; R148-L172 HydrophobicContact CB-CD2 4.01Å; R148-E179 IonicContact CZ-OE1 3.63Å; R148-E179 IonicContact CZ-OE2 3.69Å; R148-E179 VanDerWaalsContact NH1-CD 3.34Å; R148-E179 IonicContact NH1-OE1 3.8Å; R148-E179 PolarHBondContact NH1-OE1 3.33Å; R148-E179 IonicContact NH1-OE2 3.99Å; R148-E179 PolarHBondContact NH1-OE2 2.96Å; R148-E179 IonicContact NH2-OE1 3.54Å; R148-E179 PolarHBondContact NH2-OE1 2.96Å; R148-E179 IonicContact NH2-OE2 2.75Å; R148-E179 PolarHBondContact NH2-OE2 2.84Å |
| 149 | E | 93.1 | Very high | 92.5 | Very high | 124 Ų | 124 | 63.5 Ų | 63.5 | 58% | 0.579 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -64.5 | -46 | 177.1 | -174.1 | 177.4 | 178.4 | 0 | 0 | 111.1 | A145 A146 L147 L151 N152 N153 | A145-E149 PolarHBondContact O-N 3.02Å; A146-E149 WeakPolarHBondContact O-CB 3.38Å; A146-E149 PolarHBondContact O-N 3.04Å; A146-E149 VanDerWaalsContact O-N 3.12Å; L147-E149 PolarHBondContact O-N 3.23Å; E149-L151 PolarHBondContact O-N 3.48Å; E149-N152 PolarHBondContact O-N 2.97Å; E149-N153 VanDerWaalsContact O-CG 3.32Å; E149-N153 PolarHBondContact O-N 3.44Å; E149-N153 PolarHBondContact O-ND2 3.27Å |
| 150 | M | 92.8 | Very high | 92 | Very high | 61 Ų | 61 | 68 Ų | 68 | 30% | 0.3 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58.2 | -46 | 176.4 | -65.5 | 173.9 | 75.8 | 0 | 0 | 111.9 | A146 L147 N152 N153 G154 T155 I157 F164 | A146-M150 WeakPolarHBondContact O-CG 3.45Å; A146-M150 PolarHBondContact O-N 3.04Å; L147-M150 PolarHBondContact O-N 3.41Å; M150-N152 PolarHBondContact O-N 3.48Å; M150-N153 PolarHBondContact O-N 3.39Å; M150-G154 PolarHBondContact O-N 3.34Å; M150-T155 PolarHBondContact O-N 3.12Å; M150-I157 HydrophobicContact CB-CD1 3.5Å; M150-I157 HydrophobicContact CB-CG1 4.11Å; M150-I157 HydrophobicContact CE-CB 4.33Å; M150-I157 HydrophobicContact CE-CD1 4.41Å; M150-I157 HydrophobicContact CE-CG1 4.08Å; M150-I157 HydrophobicContact CE-CG2 3.75Å; M150-I157 HydrophobicContact SD-CG2 4.42Å; M150-F164 HydrophobicContact SD-CE2 4.15Å; M150-F164 HydrophobicContact SD-CZ 3.83Å |
| 151 | L | 92.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61 | -44.7 | 175.8 | -70.1 | 167.5 | 0 | 0 | 0 | 111.7 | I105 F106 Q117 L121 L147 E149 N153 G154 I157 L172 | I105-L151 WeakPolarHBondContact CD1-O 3.2Å; F106-L151 HydrophobicContact CE2-CB 4.02Å; F106-L151 HydrophobicContact CE2-CD1 4.02Å; F106-L151 HydrophobicContact CZ-CD1 4.03Å; Q117-L151 HydrophobicContact CB-CD2 4.17Å; Q117-L151 WeakPolarHBondContact O-CD2 3.38Å; L121-L151 HydrophobicContact CD1-CD1 3.85Å; L121-L151 HydrophobicContact CD2-CD1 4.17Å; L121-L151 HydrophobicContact CG-CD1 4.2Å; L121-L151 HydrophobicContact CG-CD2 4.48Å; L147-L151 HydrophobicContact CG-CD1 4.36Å; L147-L151 VanDerWaalsContact O-CG 3.26Å; L147-L151 WeakPolarHBondContact O-CG 3.49Å; L147-L151 PolarHBondContact O-N 3.08Å; E149-L151 PolarHBondContact O-N 3.48Å; L151-N153 PolarHBondContact O-N 3.14Å; L151-G154 PolarHBondContact O-N 3.19Å; L151-I157 HydrophobicContact CD2-CD1 3.74Å; L151-I157 HydrophobicContact CG-CD1 3.8Å; L151-L172 HydrophobicContact CD1-CD1 4.34Å |
| 152 | N | 90 | Very high | 91.1 | Very high | 16 Ų | 16 | 65.6 Ų | 65.6 | 9% | 0.086 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -64.6 | -26.6 | 179.2 | -82.9 | -51.9 | 0 | 0 | 0 | 113.6 | G103 I105 F106 R148 E149 M150 G154 | G103-N152 WeakPolarHBondContact CA-OD1 3.26Å; I105-N152 PolarHBondContact N-OD1 3.3Å; F106-N152 WeakPolarHBondContact CD2-OD1 3.35Å; F106-N152 PolarHBondContact N-OD1 3.43Å; R148-N152 WeakPolarHBondContact O-CB 3.33Å; R148-N152 PolarHBondContact O-N 2.98Å; R148-N152 PolarHBondContact O-ND2 3.05Å; E149-N152 PolarHBondContact O-N 2.97Å; M150-N152 PolarHBondContact O-N 3.48Å; N152-G154 VanDerWaalsContact C-N 3.25Å |
| 153 | N | 88.5 | Confident | 90.8 | Very high | 110 Ų | 110 | 64.5 Ų | 64.5 | 59% | 0.588 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.3 | -6.7 | 174.7 | -67.3 | -23.1 | 0 | 0 | 0 | 112.7 | E149 M150 L151 T155 | E149-N153 VanDerWaalsContact O-CG 3.32Å; E149-N153 PolarHBondContact O-N 3.44Å; E149-N153 PolarHBondContact O-ND2 3.27Å; M150-N153 PolarHBondContact O-N 3.39Å; L151-N153 PolarHBondContact O-N 3.14Å; N153-T155 VanDerWaalsContact C-N 3.27Å; N153-T155 PolarHBondContact O-N 3.08Å |
| 154 | G | 85.9 | Confident | 90.7 | Very high | 39 Ų | 39 | 61 Ų | 61 | 40% | 0.402 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.8 | 17.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q117 M150 L151 N152 | Q117-G154 PolarHBondContact NE2-O 3.5Å; Q117-G154 VanDerWaalsContact NE2-O 3.12Å; M150-G154 PolarHBondContact O-N 3.34Å; L151-G154 PolarHBondContact O-N 3.19Å; N152-G154 VanDerWaalsContact C-N 3.25Å |
| 155 | T | 86 | Confident | 90.8 | Very high | 64 Ų | 64 | 63.6 Ų | 63.6 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | trans | -70 | 140.7 | -177.3 | -50.1 | 0 | 0 | 0 | 0 | 110.6 | Q117 M150 N153 I157 | Q117-T155 PolarHBondContact OE1-O 3.46Å; M150-T155 PolarHBondContact O-N 3.12Å; N153-T155 VanDerWaalsContact C-N 3.27Å; N153-T155 PolarHBondContact O-N 3.08Å; T155-I157 WeakPolarHBondContact O-CG1 3.41Å; T155-I157 PolarHBondContact O-N 3.32Å | ||
| 156 | E | 87.6 | Confident | 90.9 | Very high | 176 Ų | 176 | 61.2 Ų | 61.2 | 82% | 0.822 | 34% | 0.339 | S | S | * | . | trans | -73.3 | 121 | 166.6 | -171.9 | 171.4 | -164.1 | 0 | 0 | 109.2 | ||||
| 157 | I | 90.4 | Very high | 91 | Very high | 14 Ų | 14 | 59.9 Ų | 59.9 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | trans | -106.1 | 117.5 | -170 | -47.7 | -174 | 0 | 0 | 0 | 109.1 | L147 M150 L151 T155 L159 F164 | L147-I157 HydrophobicContact CD1-CD1 3.48Å; L147-I157 VanDerWaalsContact CD1-CD1 3.48Å; L147-I157 HydrophobicContact CD1-CG2 4.05Å; M150-I157 HydrophobicContact CB-CD1 3.5Å; M150-I157 HydrophobicContact CB-CG1 4.11Å; M150-I157 HydrophobicContact CE-CB 4.33Å; M150-I157 HydrophobicContact CE-CD1 4.41Å; M150-I157 HydrophobicContact CE-CG1 4.08Å; M150-I157 HydrophobicContact CE-CG2 3.75Å; M150-I157 HydrophobicContact SD-CG2 4.42Å; L151-I157 HydrophobicContact CD2-CD1 3.74Å; L151-I157 HydrophobicContact CG-CD1 3.8Å; T155-I157 WeakPolarHBondContact O-CG1 3.41Å; T155-I157 PolarHBondContact O-N 3.32Å; I157-L159 HydrophobicContact CB-CG 4.32Å; I157-L159 HydrophobicContact CG2-CD2 3.69Å; I157-L159 HydrophobicContact CG2-CG 3.87Å; I157-L159 PolarHBondContact O-N 2.8Å; I157-F164 HydrophobicContact CG2-CE2 4.33Å | ||
| 158 | D | 88.9 | Confident | 91.1 | Very high | 102 Ų | 102 | 59.9 Ų | 59.9 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | trans | -78 | 90.3 | 169.1 | -172.4 | 3 | 0 | 0 | 0 | 110.4 | E160 T161 | D158-E160 PolarHBondContact O-N 3.44Å; D158-E160 WeakPolarHBondContact OD1-CB 3.24Å; D158-E160 PolarHBondContact OD1-N 3.17Å; D158-E160 VanDerWaalsContact OD1-N 3.11Å; D158-T161 HydrophobicContact CB-CG2 3.97Å; D158-T161 WeakPolarHBondContact O-CG2 3.49Å; D158-T161 PolarHBondContact O-OG1 3.22Å; D158-T161 WeakPolarHBondContact OD2-CG2 3.45Å | ||
| 159 | L | 89.8 | Confident | 91.2 | Very high | 8 Ų | 8 | 56.7 Ų | 56.7 | 4% | 0.042 | 31% | 0.314 | C | S | . | . | G | 310 helix | trans | -75.5 | -8.4 | 179.5 | -67.3 | 168.3 | 0 | 0 | 0 | 113 | L121 Y124 L147 I157 F164 | L121-L159 HydrophobicContact CD2-CD1 4.18Å; Y124-L159 VanDerWaalsContact CB-CD1 3.47Å; Y124-L159 HydrophobicContact CD1-CB 4.03Å; Y124-L159 HydrophobicContact CD1-CD1 3.94Å; Y124-L159 HydrophobicContact CD1-CG 4.39Å; Y124-L159 HydrophobicContact CD2-CB 3.53Å; Y124-L159 HydrophobicContact CE1-CB 4.33Å; Y124-L159 HydrophobicContact CE2-CB 3.9Å; Y124-L159 WeakPolarHBondContact CE2-O 3.25Å; Y124-L159 HydrophobicContact CG-CB 3.61Å; Y124-L159 HydrophobicContact CG-CD1 3.74Å; Y124-L159 HydrophobicContact CG-CG 4.23Å; L147-L159 HydrophobicContact CD1-CD2 3.88Å; L147-L159 HydrophobicContact CD2-CD2 4.34Å; I157-L159 HydrophobicContact CB-CG 4.32Å; I157-L159 HydrophobicContact CG2-CD2 3.69Å; I157-L159 HydrophobicContact CG2-CG 3.87Å; I157-L159 PolarHBondContact O-N 2.8Å; L159-F164 HydrophobicContact CD2-CB 4.12Å; L159-F164 HydrophobicContact CD2-CD2 3.83Å; L159-F164 HydrophobicContact CD2-CG 4.18Å |
| 160 | E | 85.4 | Confident | 91.5 | Very high | 110 Ų | 110 | 50.8 Ų | 50.8 | 51% | 0.514 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -86.3 | -8.3 | -179.5 | -55 | -64.5 | 162.2 | 0 | 0 | 112.8 | K127 D158 G162 | K127-E160 WeakPolarHBondContact CD-OE1 3.16Å; K127-E160 IonicContact NZ-OE1 3.42Å; D158-E160 PolarHBondContact O-N 3.44Å; D158-E160 WeakPolarHBondContact OD1-CB 3.24Å; D158-E160 PolarHBondContact OD1-N 3.17Å; D158-E160 VanDerWaalsContact OD1-N 3.11Å; E160-G162 PolarHBondContact O-N 3.15Å; E160-G162 VanDerWaalsContact O-N 3.16Å |
| 161 | T | 86.6 | Confident | 91.7 | Very high | 73 Ų | 73 | 48.6 Ų | 48.6 | 45% | 0.448 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -59.9 | -20.5 | 175.3 | 51.7 | 0 | 0 | 0 | 0 | 114.1 | D158 D163 | D158-T161 HydrophobicContact CB-CG2 3.97Å; D158-T161 WeakPolarHBondContact O-CG2 3.49Å; D158-T161 PolarHBondContact O-OG1 3.22Å; D158-T161 WeakPolarHBondContact OD2-CG2 3.45Å; T161-D163 VanDerWaalsContact C-N 3.31Å |
| 162 | G | 86.3 | Confident | 91.9 | Very high | 60 Ų | 60 | 48.8 Ų | 48.8 | 62% | 0.619 | 28% | 0.278 | S | S | * | . | S | Bend | trans | 85.5 | 0.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114.2 | E160 F164 | E160-G162 PolarHBondContact O-N 3.15Å; E160-G162 VanDerWaalsContact O-N 3.16Å; G162-F164 PolarHBondContact O-N 3.17Å |
| 163 | D | 89.9 | Confident | 92.3 | Very high | 112 Ų | 112 | 48.1 Ų | 48.1 | 60% | 0.599 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -66.7 | -24.8 | 178.8 | -72.6 | -25.3 | 0 | 0 | 0 | 112.7 | R143 T161 | R143-D163 WeakPolarHBondContact CD-O 3.07Å; T161-D163 VanDerWaalsContact C-N 3.31Å |
| 164 | F | 95.6 | Very high | 92.7 | Very high | 19 Ų | 19 | 44.3 Ų | 44.3 | 8% | 0.083 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -121.9 | 128.3 | -177.9 | -60 | -76.7 | 0 | 0 | 0 | 111.8 | Y124 R143 A146 L147 M150 I157 L159 G162 | Y124-F164 PolarHBondContact OH-O 3.23Å; R143-F164 HydrophobicContact CB-CD1 4.09Å; R143-F164 HydrophobicContact CB-CE1 4.35Å; R143-F164 WeakPolarHBondContact O-CE1 3.25Å; A146-F164 HydrophobicContact CB-CE1 4.38Å; L147-F164 HydrophobicContact CB-CD1 3.85Å; L147-F164 HydrophobicContact CB-CE1 3.6Å; L147-F164 HydrophobicContact CB-CZ 4.17Å; L147-F164 HydrophobicContact CD1-CE2 4.47Å; L147-F164 HydrophobicContact CD1-CZ 4.44Å; L147-F164 HydrophobicContact CD2-CD1 4.1Å; L147-F164 HydrophobicContact CD2-CG 4.28Å; L147-F164 HydrophobicContact CG-CD1 4.39Å; L147-F164 HydrophobicContact CG-CE1 4.46Å; M150-F164 HydrophobicContact SD-CE2 4.15Å; M150-F164 HydrophobicContact SD-CZ 3.83Å; I157-F164 HydrophobicContact CG2-CE2 4.33Å; L159-F164 HydrophobicContact CD2-CB 4.12Å; L159-F164 HydrophobicContact CD2-CD2 3.83Å; L159-F164 HydrophobicContact CD2-CG 4.18Å; G162-F164 PolarHBondContact O-N 3.17Å |
| 165 | H | 96.5 | Very high | 93.2 | Very high | 80 Ų | 80 | 44.5 Ų | 44.5 | 37% | 0.37 | 25% | 0.245 | S | C | . | . | trans | -77.5 | 145.4 | 174.4 | -171.1 | -88.7 | 0 | 0 | 0 | 109.9 | N167 D168 | H165-N167 PolarHBondContact CE1-ND2 3.02Å; H165-N167 VanDerWaalsContact CE1-ND2 3.27Å; H165-N167 WeakPolarHBondContact ND1-CB 3.19Å; H165-N167 PolarHBondContact ND1-N 3.29Å; H165-N167 VanDerWaalsContact ND1-N 3.13Å; H165-N167 PolarHBondContact O-N 3.03Å; H165-N167 VanDerWaalsContact O-N 3.07Å; H165-D168 WeakPolarHBondContact CB-OD2 3.5Å; H165-D168 PolarHBondContact N-OD2 3.16Å; H165-D168 WeakPolarHBondContact O-CA 3.15Å; H165-D168 WeakPolarHBondContact O-CB 3.36Å; H165-D168 PolarHBondContact O-N 3.4Å | ||
| 166 | P | 97.4 | Very high | 93.7 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 6% | 0.058 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -53.6 | -32.7 | 178.1 | -32 | 39.2 | 0 | 0 | 0 | 114.7 | Y124 L125 N128 V131 L134 D168 A169 A170 | Y124-P166 HydrophobicContact CE1-CB 4.39Å; Y124-P166 HydrophobicContact CE1-CG 4.14Å; L125-P166 HydrophobicContact CD2-CB 4.44Å; L125-P166 WeakPolarHBondContact CD2-O 2.87Å; N128-P166 HydrophobicContact CB-CB 4Å; N128-P166 HydrophobicContact CB-CG 3.72Å; V131-P166 HydrophobicContact CG2-CB 3.96Å; V131-P166 HydrophobicContact CG2-CG 3.9Å; L134-P166 HydrophobicContact CD1-CB 4.17Å; P166-D168 PolarHBondContact O-N 2.9Å; P166-A169 PolarHBondContact O-N 3.34Å; P166-A170 WeakPolarHBondContact O-CB 3.48Å; P166-A170 PolarHBondContact O-N 3.49Å |
| 167 | N | 97.7 | Very high | 94.1 | Very high | 13 Ų | 13 | 33.3 Ų | 33.3 | 7% | 0.07 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.4 | -26.1 | 173.7 | -68.3 | -25.5 | 0 | 0 | 0 | 113.9 | H165 T171 | H165-N167 PolarHBondContact CE1-ND2 3.02Å; H165-N167 VanDerWaalsContact CE1-ND2 3.27Å; H165-N167 WeakPolarHBondContact ND1-CB 3.19Å; H165-N167 PolarHBondContact ND1-N 3.29Å; H165-N167 VanDerWaalsContact ND1-N 3.13Å; H165-N167 PolarHBondContact O-N 3.03Å; H165-N167 VanDerWaalsContact O-N 3.07Å; N167-T171 WeakPolarHBondContact O-CB 3.3Å; N167-T171 PolarHBondContact O-N 3.08Å; N167-T171 PolarHBondContact O-OG1 3.24Å |
| 168 | D | 97.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.5 | -50.8 | 175.5 | -53.2 | -34.1 | 0 | 0 | 0 | 109.6 | G139 H140 R143 Q144 H165 P166 A170 T171 L172 | G139-D168 WeakPolarHBondContact CA-OD1 3.26Å; H140-D168 PolarHBondContact N-OD1 3.03Å; R143-D168 IonicContact CZ-OD2 3.4Å; R143-D168 IonicContact NE-OD1 3.92Å; R143-D168 IonicContact NE-OD2 2.71Å; R143-D168 PolarHBondContact NE-OD2 3.46Å; R143-D168 IonicContact NH2-OD1 3.49Å; R143-D168 PolarHBondContact NH2-OD1 3.33Å; R143-D168 IonicContact NH2-OD2 3.18Å; R143-D168 PolarHBondContact NH2-OD2 3.48Å; Q144-D168 HydrophobicContact CG-CB 4.02Å; H165-D168 WeakPolarHBondContact CB-OD2 3.5Å; H165-D168 PolarHBondContact N-OD2 3.16Å; H165-D168 WeakPolarHBondContact O-CA 3.15Å; H165-D168 WeakPolarHBondContact O-CB 3.36Å; H165-D168 PolarHBondContact O-N 3.4Å; P166-D168 PolarHBondContact O-N 2.9Å; D168-A170 PolarHBondContact O-N 2.98Å; D168-T171 PolarHBondContact O-N 3.33Å; D168-L172 PolarHBondContact O-N 3.44Å |
| 169 | A | 97.6 | Very high | 94.5 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61 | -43.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L121 Y124 L125 L147 P166 T171 L172 L173 | L121-A169 HydrophobicContact CD2-CB 3.96Å; Y124-A169 HydrophobicContact CD1-CB 3.92Å; Y124-A169 HydrophobicContact CE1-CB 4.3Å; L125-A169 HydrophobicContact CD1-CB 4.43Å; L125-A169 HydrophobicContact CD2-CB 4.11Å; L125-A169 HydrophobicContact CG-CB 4.19Å; L147-A169 HydrophobicContact CD2-CB 4.43Å; P166-A169 PolarHBondContact O-N 3.34Å; A169-T171 VanDerWaalsContact C-N 3.31Å; A169-T171 PolarHBondContact O-N 2.88Å; A169-L172 PolarHBondContact O-N 3.3Å; A169-L173 PolarHBondContact O-N 2.99Å |
| 170 | A | 98.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -61.9 | -39 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | L125 L134 F135 P166 D168 K174 | L125-A170 HydrophobicContact CD2-CB 3.9Å; L134-A170 HydrophobicContact CD1-CB 3.94Å; L134-A170 HydrophobicContact CG-CB 4.47Å; F135-A170 HydrophobicContact CD1-CB 3.54Å; F135-A170 HydrophobicContact CE1-CB 3.72Å; F135-A170 HydrophobicContact CG-CB 4.2Å; P166-A170 WeakPolarHBondContact O-CB 3.48Å; P166-A170 PolarHBondContact O-N 3.49Å; D168-A170 PolarHBondContact O-N 2.98Å; A170-K174 PolarHBondContact O-N 3.38Å |
| 171 | T | 97.8 | Very high | 94.9 | Very high | 16 Ų | 16 | 30.2 Ų | 30.2 | 10% | 0.098 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68.9 | -46.2 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 110.5 | G139 N167 D168 A169 L173 K174 V175 | G139-T171 PolarHBondContact N-OG1 3.24Å; G139-T171 VanDerWaalsContact N-OG1 3.08Å; N167-T171 WeakPolarHBondContact O-CB 3.3Å; N167-T171 PolarHBondContact O-N 3.08Å; N167-T171 PolarHBondContact O-OG1 3.24Å; D168-T171 PolarHBondContact O-N 3.33Å; A169-T171 VanDerWaalsContact C-N 3.31Å; A169-T171 PolarHBondContact O-N 2.88Å; T171-L173 VanDerWaalsContact C-N 3.35Å; T171-L173 PolarHBondContact O-N 3.33Å; T171-K174 PolarHBondContact O-N 3.4Å; T171-V175 HydrophobicContact CG2-CG2 4.41Å; T171-V175 WeakPolarHBondContact O-CG2 3.37Å; T171-V175 PolarHBondContact O-N 3.35Å |
| 172 | L | 97 | Very high | 95.1 | Very high | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.1 | -36.8 | 178.2 | -74.9 | -178.6 | 0 | 0 | 0 | 113.5 | L121 Q144 L147 R148 L151 D168 A169 K174 V175 F176 | L121-L172 HydrophobicContact CD1-CB 4.13Å; Q144-L172 HydrophobicContact CB-CD2 4.16Å; Q144-L172 HydrophobicContact CB-CG 4.25Å; Q144-L172 HydrophobicContact CG-CG 4.34Å; L147-L172 HydrophobicContact CB-CD1 3.65Å; L147-L172 HydrophobicContact CD2-CD1 3.68Å; L147-L172 HydrophobicContact CG-CD1 3.5Å; L147-L172 VanDerWaalsContact CG-CD1 3.5Å; R148-L172 HydrophobicContact CB-CD1 4.29Å; R148-L172 HydrophobicContact CB-CD2 4.01Å; L151-L172 HydrophobicContact CD1-CD1 4.34Å; D168-L172 PolarHBondContact O-N 3.44Å; A169-L172 PolarHBondContact O-N 3.3Å; L172-K174 VanDerWaalsContact C-N 3.33Å; L172-K174 PolarHBondContact O-N 3.47Å; L172-V175 PolarHBondContact O-N 2.86Å; L172-F176 WeakPolarHBondContact O-CB 3.46Å; L172-F176 PolarHBondContact O-N 3.47Å |
| 173 | L | 97.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 27.3 Ų | 27.3 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.5 | -44.2 | 175.1 | 179.8 | 60.7 | 0 | 0 | 0 | 111.5 | I118 I122 L125 F135 A169 T171 F176 L177 L239 L242 | I118-L173 HydrophobicContact CG2-CD1 3.44Å; I118-L173 VanDerWaalsContact CG2-CD1 3.44Å; I122-L173 HydrophobicContact CG1-CD1 4.26Å; I122-L173 HydrophobicContact CG1-CD2 4.18Å; L125-L173 HydrophobicContact CD1-CD2 3.98Å; F135-L173 HydrophobicContact CE1-CD2 4.03Å; F135-L173 HydrophobicContact CZ-CD2 4.45Å; A169-L173 PolarHBondContact O-N 2.99Å; T171-L173 VanDerWaalsContact C-N 3.35Å; T171-L173 PolarHBondContact O-N 3.33Å; L173-F176 PolarHBondContact O-N 3.49Å; L173-L177 HydrophobicContact CG-CD1 4.49Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 2.94Å; L173-L239 HydrophobicContact CD2-CD1 4.1Å; L173-L242 HydrophobicContact CD2-CD2 3.89Å |
| 174 | K | 97.1 | Very high | 95.7 | Very high | 31 Ų | 31 | 22 Ų | 22 | 14% | 0.135 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.6 | -42.4 | 175 | -68.6 | -176.1 | -62 | 171.3 | 0 | 111.8 | F135 A170 T171 L172 L177 G178 F264 | F135-K174 HydrophobicContact CB-CD 4.47Å; F135-K174 HydrophobicContact CD1-CG 4.44Å; F135-K174 WeakPolarHBondContact O-CE 3.43Å; F135-K174 PolarHBondContact O-NZ 2.62Å; A170-K174 PolarHBondContact O-N 3.38Å; T171-K174 PolarHBondContact O-N 3.4Å; L172-K174 VanDerWaalsContact C-N 3.33Å; L172-K174 PolarHBondContact O-N 3.47Å; K174-L177 PolarHBondContact O-N 3.37Å; K174-G178 PolarHBondContact O-N 3.19Å; K174-F264 HydrophobicContact CD-CZ 4.46Å; K174-F264 HydrophobicContact CG-CE1 3.95Å; K174-F264 HydrophobicContact CG-CE2 4.33Å; K174-F264 HydrophobicContact CG-CZ 3.8Å |
| 175 | V | 95.6 | Very high | 95.8 | Very high | 43 Ų | 43 | 21.1 Ų | 21.1 | 26% | 0.261 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 178.2 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | F106 T171 L172 L177 G178 E179 | F106-V175 HydrophobicContact CD1-CG1 4.41Å; F106-V175 HydrophobicContact CE1-CG1 4.36Å; T171-V175 HydrophobicContact CG2-CG2 4.41Å; T171-V175 WeakPolarHBondContact O-CG2 3.37Å; T171-V175 PolarHBondContact O-N 3.35Å; L172-V175 PolarHBondContact O-N 2.86Å; V175-L177 PolarHBondContact O-N 2.86Å; V175-G178 PolarHBondContact O-N 3.38Å; V175-E179 HydrophobicContact CG1-CG 4.24Å; V175-E179 WeakPolarHBondContact CG1-OE1 3.35Å; V175-E179 WeakPolarHBondContact O-CB 3.4Å; V175-E179 WeakPolarHBondContact O-CG 3.42Å; V175-E179 PolarHBondContact O-N 3.5Å |
| 176 | F | 96.3 | Very high | 95.6 | Very high | 4 Ų | 4 | 17.8 Ų | 17.8 | 2% | 0.018 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -54.6 | -52.8 | 176.1 | 172 | -100.1 | 0 | 0 | 0 | 111.6 | I105 F106 L110 I118 L172 L173 G178 E179 L180 L235 | I105-F176 HydrophobicContact CG2-CD2 4.17Å; I105-F176 HydrophobicContact CG2-CE2 3.65Å; F106-F176 HydrophobicContact CD1-CB 4.15Å; F106-F176 HydrophobicContact CD1-CD2 4.3Å; F106-F176 HydrophobicContact CE1-CB 3.7Å; F106-F176 HydrophobicContact CE1-CD2 4.4Å; F106-F176 HydrophobicContact CZ-CB 4.34Å; L110-F176 HydrophobicContact CD1-CE1 4.16Å; L110-F176 HydrophobicContact CD1-CZ 3.81Å; I118-F176 HydrophobicContact CB-CE1 4.44Å; I118-F176 HydrophobicContact CD1-CB 3.79Å; I118-F176 HydrophobicContact CD1-CD1 3.79Å; I118-F176 HydrophobicContact CD1-CD2 3.64Å; I118-F176 HydrophobicContact CD1-CE1 4.3Å; I118-F176 HydrophobicContact CD1-CE2 4.17Å; I118-F176 HydrophobicContact CD1-CG 3.43Å; I118-F176 VanDerWaalsContact CD1-CG 3.43Å; I118-F176 HydrophobicContact CD1-CZ 4.46Å; I118-F176 HydrophobicContact CG1-CD1 3.7Å; I118-F176 HydrophobicContact CG1-CD2 3.85Å; I118-F176 HydrophobicContact CG1-CE1 3.69Å; I118-F176 HydrophobicContact CG1-CE2 3.85Å; I118-F176 HydrophobicContact CG1-CG 3.77Å; I118-F176 HydrophobicContact CG1-CZ 3.76Å; I118-F176 HydrophobicContact CG2-CD1 4.22Å; I118-F176 HydrophobicContact CG2-CE1 4.37Å; L172-F176 WeakPolarHBondContact O-CB 3.46Å; L172-F176 PolarHBondContact O-N 3.47Å; L173-F176 PolarHBondContact O-N 3.49Å; F176-G178 VanDerWaalsContact C-N 3.31Å; F176-G178 PolarHBondContact O-N 3Å; F176-E179 PolarHBondContact O-N 2.96Å; F176-L180 HydrophobicContact CE1-CD2 4.16Å; F176-L180 HydrophobicContact CE2-CD2 4.25Å; F176-L180 HydrophobicContact CZ-CD2 3.85Å; F176-L180 PolarHBondContact O-N 3.37Å; F176-L235 HydrophobicContact CE1-CD2 3.82Å |
| 177 | L | 96.5 | Very high | 95.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.9 | -41.8 | 178.1 | -66.3 | 167.9 | 0 | 0 | 0 | 112.1 | L173 K174 V175 E179 L180 L184 L235 L239 F264 H267 I268 | L173-L177 HydrophobicContact CG-CD1 4.49Å; L173-L177 WeakPolarHBondContact O-CG 3.47Å; L173-L177 PolarHBondContact O-N 2.94Å; K174-L177 PolarHBondContact O-N 3.37Å; V175-L177 PolarHBondContact O-N 2.86Å; L177-E179 VanDerWaalsContact C-N 3.33Å; L177-E179 PolarHBondContact O-N 3.24Å; L177-L180 HydrophobicContact CD2-CD1 4.35Å; L177-L180 PolarHBondContact O-N 2.93Å; L177-L184 HydrophobicContact CD2-CD2 3.95Å; L177-L235 HydrophobicContact CD2-CD2 4.11Å; L177-L239 HydrophobicContact CD1-CD1 4.13Å; L177-L239 HydrophobicContact CD1-CD2 3.71Å; L177-L239 HydrophobicContact CD2-CD2 4.39Å; L177-F264 HydrophobicContact CD1-CD1 3.96Å; L177-F264 HydrophobicContact CD1-CE1 3.76Å; L177-H267 HydrophobicContact CB-CB 3.96Å; L177-I268 HydrophobicContact CD1-CG2 4.06Å |
| 178 | G | 94 | Very high | 95 | Very high | 27 Ų | 27 | 21.9 Ų | 21.9 | 28% | 0.278 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -65.5 | -32.5 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K174 V175 F176 K272 | K174-G178 PolarHBondContact O-N 3.19Å; V175-G178 PolarHBondContact O-N 3.38Å; F176-G178 VanDerWaalsContact C-N 3.31Å; F176-G178 PolarHBondContact O-N 3Å; G178-K272 PolarHBondContact O-NZ 3.43Å |
| 179 | E | 93.8 | Very high | 94.8 | Very high | 73 Ų | 73 | 22 Ų | 22 | 34% | 0.341 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -86.8 | -10.9 | -178.9 | -72.9 | -179.1 | -170.1 | 0 | 0 | 113.9 | F106 G107 R148 V175 F176 L177 | F106-E179 WeakPolarHBondContact CB-OE2 3.49Å; G107-E179 WeakPolarHBondContact CA-O 3.38Å; R148-E179 IonicContact CZ-OE1 3.63Å; R148-E179 IonicContact CZ-OE2 3.69Å; R148-E179 VanDerWaalsContact NH1-CD 3.34Å; R148-E179 IonicContact NH1-OE1 3.8Å; R148-E179 PolarHBondContact NH1-OE1 3.33Å; R148-E179 IonicContact NH1-OE2 3.99Å; R148-E179 PolarHBondContact NH1-OE2 2.96Å; R148-E179 IonicContact NH2-OE1 3.54Å; R148-E179 PolarHBondContact NH2-OE1 2.96Å; R148-E179 IonicContact NH2-OE2 2.75Å; R148-E179 PolarHBondContact NH2-OE2 2.84Å; V175-E179 HydrophobicContact CG1-CG 4.24Å; V175-E179 WeakPolarHBondContact CG1-OE1 3.35Å; V175-E179 WeakPolarHBondContact O-CB 3.4Å; V175-E179 WeakPolarHBondContact O-CG 3.42Å; V175-E179 PolarHBondContact O-N 3.5Å; F176-E179 PolarHBondContact O-N 2.96Å; L177-E179 VanDerWaalsContact C-N 3.33Å; L177-E179 PolarHBondContact O-N 3.24Å |
| 180 | L | 92.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 22.1 Ų | 22.1 | 3% | 0.031 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -52.8 | 139.7 | 174 | -68.8 | 176.1 | 0 | 0 | 0 | 110.9 | L110 F176 L177 E182 K272 | L110-L180 HydrophobicContact CB-CD2 4.3Å; L110-L180 HydrophobicContact CD1-CD2 4.29Å; F176-L180 HydrophobicContact CE1-CD2 4.16Å; F176-L180 HydrophobicContact CE2-CD2 4.25Å; F176-L180 HydrophobicContact CZ-CD2 3.85Å; F176-L180 PolarHBondContact O-N 3.37Å; L177-L180 HydrophobicContact CD2-CD1 4.35Å; L177-L180 PolarHBondContact O-N 2.93Å; L180-E182 VanDerWaalsContact CB-O 3.25Å; L180-E182 WeakPolarHBondContact CB-O 3.35Å; L180-E182 PolarHBondContact O-N 3.41Å; L180-K272 WeakPolarHBondContact O-CE 3.16Å; L180-K272 PolarHBondContact O-NZ 2.86Å |
| 181 | P | 90.9 | Very high | 94.3 | Very high | 64 Ų | 64 | 23.5 Ų | 23.5 | 42% | 0.416 | 12% | 0.123 | S | C | . | . | S | Bend | trans | -57.5 | -35.1 | 178.4 | -27 | 34.2 | 0 | 0 | 0 | 113.6 | A108 P109 | A108-P181 WeakPolarHBondContact O-CD 3.25Å; P109-P181 HydrophobicContact CG-CG 4.39Å |
| 182 | E | 90.1 | Very high | 94.1 | Very high | 71 Ų | 71 | 22.9 Ų | 22.9 | 33% | 0.332 | 12% | 0.119 | S | C | . | . | S | Bend | trans | -122.6 | 142.7 | 175.4 | -177.6 | 170.1 | -164.3 | 0 | 0 | 109 | L180 M186 H187 | L180-E182 VanDerWaalsContact CB-O 3.25Å; L180-E182 WeakPolarHBondContact CB-O 3.35Å; L180-E182 PolarHBondContact O-N 3.41Å; E182-M186 VanDerWaalsContact OE1-CA 3.27Å; E182-M186 WeakPolarHBondContact OE1-CA 3.42Å; E182-M186 WeakPolarHBondContact OE1-CB 3.5Å; E182-H187 PolarHBondContact OE1-N 2.78Å |
| 183 | P | 94.1 | Very high | 94 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.006 | 12% | 0.12 | C | C | . | . | trans | -56.1 | 148.7 | 173.4 | -22 | 33.5 | 0 | 0 | 0 | 111 | L185 M186 H187 I268 W270 K272 | P183-L185 PolarHBondContact O-N 3.46Å; P183-L185 VanDerWaalsContact O-N 3.11Å; P183-M186 WeakPolarHBondContact O-CA 3.32Å; P183-M186 PolarHBondContact O-N 3.23Å; P183-H187 WeakPolarHBondContact CD-CE1 3.47Å; P183-H187 WeakPolarHBondContact CD-ND1 3.27Å; P183-I268 WeakPolarHBondContact CB-O 3.45Å; P183-W270 WeakPolarHBondContact CG-O 3.47Å; P183-K272 HydrophobicContact CG-CD 4.47Å; P183-K272 HydrophobicContact CG-CG 4.29Å | ||
| 184 | L | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -35.6 | -178 | -175.1 | 61.4 | 0 | 0 | 0 | 112.7 | L110 L177 M186 N232 L235 L236 L239 I268 | L110-L184 HydrophobicContact CD2-CD1 4.13Å; L177-L184 HydrophobicContact CD2-CD2 3.95Å; L184-M186 VanDerWaalsContact C-N 3.32Å; L184-N232 HydrophobicContact CD1-CB 4.15Å; L184-N232 PolarHBondContact O-ND2 3.24Å; L184-L235 HydrophobicContact CD1-CB 4.21Å; L184-L235 HydrophobicContact CD1-CD2 3.94Å; L184-L235 HydrophobicContact CD1-CG 4.22Å; L184-L235 HydrophobicContact CD2-CG 4.37Å; L184-L236 HydrophobicContact CD2-CB 3.99Å; L184-L236 HydrophobicContact CD2-CD1 3.8Å; L184-L236 HydrophobicContact CG-CB 4.27Å; L184-L236 HydrophobicContact CG-CD1 4.3Å; L184-L239 HydrophobicContact CD2-CD2 3.93Å; L184-I268 HydrophobicContact CB-CB 4.27Å; L184-I268 HydrophobicContact CB-CG2 4.48Å; L184-I268 HydrophobicContact CD2-CG2 4.47Å; L184-I268 PolarHBondContact N-O 3.24Å |
| 185 | L | 96.1 | Very high | 93.4 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | 9.1 | 177.7 | -71.2 | 173.2 | 0 | 0 | 0 | 114.8 | P183 H189 F225 L228 L236 I268 I269 L293 | P183-L185 PolarHBondContact O-N 3.46Å; P183-L185 VanDerWaalsContact O-N 3.11Å; L185-H189 WeakPolarHBondContact O-CB 3.49Å; L185-F225 HydrophobicContact CD2-CE1 3.87Å; L185-F225 HydrophobicContact CD2-CZ 4.43Å; L185-L228 HydrophobicContact CD2-CD1 4.38Å; L185-L236 HydrophobicContact CD2-CD1 3.92Å; L185-L236 HydrophobicContact CD2-CD2 3.49Å; L185-L236 VanDerWaalsContact CD2-CD2 3.49Å; L185-L236 HydrophobicContact CD2-CG 4.35Å; L185-L236 HydrophobicContact CG-CD1 4.3Å; L185-I268 VanDerWaalsContact CB-O 3.3Å; L185-I268 WeakPolarHBondContact CB-O 3.38Å; L185-I268 HydrophobicContact CD1-CD1 4.26Å; L185-I268 HydrophobicContact CD1-CG1 4.16Å; L185-I268 PolarHBondContact N-O 2.91Å; L185-I269 HydrophobicContact CB-CG1 4.48Å; L185-I269 HydrophobicContact CD1-CB 3.95Å; L185-I269 HydrophobicContact CD1-CD1 4.16Å; L185-I269 HydrophobicContact CD1-CG1 4.19Å; L185-L293 HydrophobicContact CD1-CD1 4.01Å |
| 186 | M | 93.3 | Very high | 93.3 | Very high | 11 Ų | 11 | 23.2 Ų | 23.2 | 5% | 0.054 | 12% | 0.118 | C | C | . | . | trans | 66.2 | 141 | 179.1 | -50.5 | -168.7 | 77.6 | 0 | 0 | 115.5 | E182 P183 L184 R188 H189 L228 P229 | E182-M186 VanDerWaalsContact OE1-CA 3.27Å; E182-M186 WeakPolarHBondContact OE1-CA 3.42Å; E182-M186 WeakPolarHBondContact OE1-CB 3.5Å; P183-M186 WeakPolarHBondContact O-CA 3.32Å; P183-M186 PolarHBondContact O-N 3.23Å; L184-M186 VanDerWaalsContact C-N 3.32Å; M186-R188 VanDerWaalsContact C-N 3.33Å; M186-R188 HydrophobicContact CB-CG 3.99Å; M186-R188 HydrophobicContact CE-CG 4.13Å; M186-R188 VanDerWaalsContact CE-NE 3.29Å; M186-R188 PolarHBondContact O-N 2.8Å; M186-R188 HydrophobicContact SD-CG 4.4Å; M186-R188 PolarHBondContact SD-NE 3.23Å; M186-R188 PolarHBondContact SD-NH2 2.67Å; M186-H189 PolarHBondContact O-N 2.8Å; M186-L228 HydrophobicContact CG-CD2 3.79Å; M186-L228 HydrophobicContact SD-CD2 4.07Å; M186-P229 HydrophobicContact CE-CG 4Å; M186-P229 WeakPolarHBondContact SD-CD 3.44Å; M186-P229 HydrophobicContact SD-CG 3.93Å | ||
| 187 | H | 90.5 | Very high | 92.8 | Very high | 32 Ų | 32 | 23.9 Ų | 23.9 | 15% | 0.148 | 13% | 0.126 | C | C | . | . | G | 310 helix | trans | -64.1 | -41 | 175.7 | -77.5 | 105.8 | 0 | 0 | 0 | 111.7 | P82 E182 P183 H189 Y190 K272 | P82-H187 HydrophobicContact CB-CB 4.04Å; P82-H187 HydrophobicContact CG-CB 3.87Å; E182-H187 PolarHBondContact OE1-N 2.78Å; P183-H187 WeakPolarHBondContact CD-CE1 3.47Å; P183-H187 WeakPolarHBondContact CD-ND1 3.27Å; H187-H189 PolarHBondContact O-N 3.11Å; H187-Y190 WeakPolarHBondContact O-CB 3.19Å; H187-Y190 PolarHBondContact O-N 3.34Å; H187-Y190 VanDerWaalsContact O-N 3.16Å; H187-K272 VanDerWaalsContact CE1-CG 3.5Å; H187-K272 WeakPolarHBondContact CE1-CG 3.49Å; H187-K272 PolarHBondContact NE2-N 3.12Å |
| 188 | R | 91.4 | Very high | 92.2 | Very high | 76 Ų | 76 | 26.3 Ų | 26.3 | 29% | 0.287 | 14% | 0.137 | S | C | . | . | G | 310 helix | trans | -63.9 | -22.8 | -178.2 | 52.2 | 164.5 | -167.5 | -147.5 | 2.9 | 114.5 | Q75 M186 | Q75-R188 WeakPolarHBondContact O-CB 3.48Å; M186-R188 VanDerWaalsContact C-N 3.33Å; M186-R188 HydrophobicContact CB-CG 3.99Å; M186-R188 HydrophobicContact CE-CG 4.13Å; M186-R188 VanDerWaalsContact CE-NE 3.29Å; M186-R188 PolarHBondContact O-N 2.8Å; M186-R188 HydrophobicContact SD-CG 4.4Å; M186-R188 PolarHBondContact SD-NE 3.23Å; M186-R188 PolarHBondContact SD-NH2 2.67Å |
| 189 | H | 94 | Very high | 91.4 | Very high | 1 Ų | 1 | 25.7 Ų | 25.7 | 1% | 0.005 | 13% | 0.127 | C | C | . | . | G | 310 helix | trans | -90.4 | -3 | 179.9 | -61.7 | 179.6 | 0 | 0 | 0 | 112.7 | L76 L185 M186 H187 H191 A192 H193 L224 | L76-H189 VanDerWaalsContact CD1-CD2 3.47Å; L76-H189 WeakPolarHBondContact CD1-CD2 3.44Å; L185-H189 WeakPolarHBondContact O-CB 3.49Å; M186-H189 PolarHBondContact O-N 2.8Å; H187-H189 PolarHBondContact O-N 3.11Å; H189-H191 PolarHBondContact O-N 2.92Å; H189-A192 WeakPolarHBondContact O-CB 3.45Å; H189-A192 PolarHBondContact O-N 3.39Å; H189-A192 VanDerWaalsContact O-N 3.11Å; H189-H193 PolarHBondContact O-CD2 3.11Å; H189-H193 PolarHBondContact O-N 3.1Å; H189-L224 HydrophobicContact CB-CD1 4.08Å; H189-L224 HydrophobicContact CB-CD2 4.38Å; H189-L224 HydrophobicContact CB-CG 4.5Å |
| 190 | Y | 92.6 | Very high | 90.1 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 1% | 0.012 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -53.1 | -50 | -173.3 | 174.1 | -100.2 | 0 | 0 | 0 | 113.5 | H187 A192 H193 L194 P271 L279 L286 | H187-Y190 WeakPolarHBondContact O-CB 3.19Å; H187-Y190 PolarHBondContact O-N 3.34Å; H187-Y190 VanDerWaalsContact O-N 3.16Å; Y190-A192 PolarHBondContact O-N 3.27Å; Y190-H193 WeakPolarHBondContact O-CB 3.44Å; Y190-H193 PolarHBondContact O-N 3.48Å; Y190-L194 HydrophobicContact CD1-CD1 4.24Å; Y190-L194 HydrophobicContact CE1-CD1 3.51Å; Y190-L194 HydrophobicContact CE1-CG 4.34Å; Y190-L194 HydrophobicContact CE2-CD1 4.49Å; Y190-L194 PolarHBondContact O-N 2.88Å; Y190-L194 VanDerWaalsContact O-N 3.15Å; Y190-P271 HydrophobicContact CD1-CG 4.37Å; Y190-P271 HydrophobicContact CD2-CG 3.59Å; Y190-P271 VanDerWaalsContact CE2-CD 3.49Å; Y190-P271 HydrophobicContact CE2-CG 3.8Å; Y190-P271 HydrophobicContact CG-CG 3.9Å; Y190-L279 HydrophobicContact CE2-CD2 4.3Å; Y190-L279 WeakPolarHBondContact OH-CD2 3.5Å; Y190-L286 HydrophobicContact CD2-CD2 4.42Å; Y190-L286 HydrophobicContact CE2-CD1 3.85Å; Y190-L286 HydrophobicContact CE2-CD2 3.91Å; Y190-L286 HydrophobicContact CE2-CG 4.48Å |
| 191 | H | 92.1 | Very high | 88.4 | Confident | 30 Ų | 30 | 26 Ų | 26 | 14% | 0.139 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65 | -40.6 | 178.9 | -72.6 | -86.8 | 0 | 0 | 0 | 111.9 | L68 E72 Q75 H189 H193 L194 K195 | L68-H191 HydrophobicContact CD2-CB 4.23Å; E72-H191 HydrophobicContact CB-CB 3.97Å; E72-H191 HydrophobicContact CG-CB 4.11Å; E72-H191 IonicContact OE1-CE1 3.71Å; E72-H191 PolarHBondContact OE1-CE1 3.16Å; E72-H191 IonicContact OE1-CG 2.63Å; E72-H191 IonicContact OE1-ND1 3.95Å; E72-H191 PolarHBondContact OE1-ND1 2.83Å; E72-H191 IonicContact OE2-CG 2.87Å; E72-H191 IonicContact OE2-ND1 2.88Å; Q75-H191 PolarHBondContact OE1-CD2 3.46Å; H189-H191 PolarHBondContact O-N 2.92Å; H191-H193 VanDerWaalsContact C-N 3.31Å; H191-H193 PolarHBondContact O-N 3.4Å; H191-L194 PolarHBondContact O-N 3.49Å; H191-K195 WeakPolarHBondContact O-CG 3.34Å; H191-K195 PolarHBondContact O-N 3.32Å |
| 192 | A | 94.3 | Very high | 86.8 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 2% | 0.017 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.9 | -42.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | I66 L68 L76 H189 Y190 L194 K195 I196 L224 | I66-A192 HydrophobicContact CD1-CB 3.89Å; L68-A192 HydrophobicContact CD1-CB 4.35Å; L76-A192 HydrophobicContact CD1-CB 4.29Å; H189-A192 WeakPolarHBondContact O-CB 3.45Å; H189-A192 PolarHBondContact O-N 3.39Å; H189-A192 VanDerWaalsContact O-N 3.11Å; Y190-A192 PolarHBondContact O-N 3.27Å; A192-L194 PolarHBondContact O-N 3.48Å; A192-K195 PolarHBondContact O-N 3.31Å; A192-I196 WeakPolarHBondContact O-CB 3.5Å; A192-I196 WeakPolarHBondContact O-CG1 3.49Å; A192-I196 PolarHBondContact O-N 3.33Å; A192-L224 HydrophobicContact CB-CD1 4.05Å; A192-L224 HydrophobicContact CB-CD2 4.12Å |
| 193 | H | 94.3 | Very high | 85.6 | Confident | 9 Ų | 9 | 26.5 Ų | 26.5 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.1 | -41.5 | 175.5 | -75.6 | -71.9 | 0 | 0 | 0 | 113.4 | H189 Y190 H191 G197 F221 I269 | H189-H193 PolarHBondContact O-CD2 3.11Å; H189-H193 PolarHBondContact O-N 3.1Å; Y190-H193 WeakPolarHBondContact O-CB 3.44Å; Y190-H193 PolarHBondContact O-N 3.48Å; H191-H193 VanDerWaalsContact C-N 3.31Å; H191-H193 PolarHBondContact O-N 3.4Å; H193-G197 PolarHBondContact O-N 3.06Å; H193-F221 AromaticContact ND1-CE1 3.48Å; H193-F221 WeakPolarHBondContact ND1-CE1 3.41Å; H193-I269 HydrophobicContact CB-CD1 3.47Å; H193-I269 VanDerWaalsContact CB-CD1 3.47Å; H193-I269 HydrophobicContact CB-CG1 4.47Å; H193-I269 VanDerWaalsContact CG-CD1 3.49Å |
| 194 | L | 92 | Very high | 84 | Confident | 15 Ų | 15 | 35.6 Ų | 35.6 | 8% | 0.079 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -62.2 | -47.4 | 175.5 | -70.6 | 177.1 | 0 | 0 | 0 | 111.3 | Y190 H191 A192 I196 G197 E198 N282 K285 L286 | Y190-L194 HydrophobicContact CD1-CD1 4.24Å; Y190-L194 HydrophobicContact CE1-CD1 3.51Å; Y190-L194 HydrophobicContact CE1-CG 4.34Å; Y190-L194 HydrophobicContact CE2-CD1 4.49Å; Y190-L194 PolarHBondContact O-N 2.88Å; Y190-L194 VanDerWaalsContact O-N 3.15Å; H191-L194 PolarHBondContact O-N 3.49Å; A192-L194 PolarHBondContact O-N 3.48Å; L194-I196 PolarHBondContact O-N 3.44Å; L194-G197 WeakPolarHBondContact O-CA 3.45Å; L194-G197 PolarHBondContact O-N 3.05Å; L194-G197 VanDerWaalsContact O-N 3.17Å; L194-E198 WeakPolarHBondContact O-CG 3.44Å; L194-E198 PolarHBondContact O-N 2.78Å; L194-E198 VanDerWaalsContact O-N 3.1Å; L194-N282 HydrophobicContact CD2-CB 4.08Å; L194-K285 HydrophobicContact CD2-CB 4.11Å; L194-K285 HydrophobicContact CD2-CD 4.45Å; L194-L286 HydrophobicContact CD2-CD2 3.6Å; L194-L286 HydrophobicContact CD2-CG 3.85Å; L194-L286 HydrophobicContact CG-CD2 4.26Å |
| 195 | K | 91.1 | Very high | 82.6 | Confident | 62 Ų | 62 | 44 Ų | 44 | 27% | 0.27 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -63.4 | -40.9 | 179.2 | -67.9 | -58.2 | -175.1 | -178.1 | 0 | 112.9 | I66 L68 H191 A192 G197 E198 L199 | I66-K195 HydrophobicContact CB-CB 4.06Å; I66-K195 HydrophobicContact CD1-CB 4.23Å; I66-K195 HydrophobicContact CG2-CB 4.15Å; L68-K195 HydrophobicContact CD2-CB 4.47Å; L68-K195 HydrophobicContact CD2-CG 3.74Å; H191-K195 WeakPolarHBondContact O-CG 3.34Å; H191-K195 PolarHBondContact O-N 3.32Å; A192-K195 PolarHBondContact O-N 3.31Å; K195-G197 VanDerWaalsContact C-N 3.28Å; K195-G197 PolarHBondContact O-N 3.37Å; K195-E198 IonicContact NZ-OE2 3.47Å; K195-E198 WeakPolarHBondContact O-CB 3.26Å; K195-E198 PolarHBondContact O-N 2.88Å; K195-L199 PolarHBondContact O-N 3Å |
| 196 | I | 92 | Very high | 81.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.8 | -40.4 | 174.7 | -64.4 | 168.3 | 0 | 0 | 0 | 110.3 | I66 A192 L194 E198 L199 Q217 A220 F221 L224 | I66-I196 HydrophobicContact CD1-CG1 4.17Å; I66-I196 HydrophobicContact CG2-CG1 3.84Å; A192-I196 WeakPolarHBondContact O-CB 3.5Å; A192-I196 WeakPolarHBondContact O-CG1 3.49Å; A192-I196 PolarHBondContact O-N 3.33Å; L194-I196 PolarHBondContact O-N 3.44Å; I196-E198 PolarHBondContact O-N 3.4Å; I196-L199 HydrophobicContact CG2-CD1 4.26Å; I196-L199 VanDerWaalsContact O-CB 3.31Å; I196-L199 WeakPolarHBondContact O-CB 3.44Å; I196-L199 PolarHBondContact O-N 3.16Å; I196-L199 VanDerWaalsContact O-N 3.1Å; I196-Q217 HydrophobicContact CG2-CB 4.48Å; I196-Q217 HydrophobicContact CG2-CG 4.37Å; I196-Q217 PolarHBondContact O-NE2 2.95Å; I196-A220 HydrophobicContact CD1-CB 3.84Å; I196-A220 HydrophobicContact CG1-CB 3.72Å; I196-A220 HydrophobicContact CG2-CB 4.04Å; I196-F221 HydrophobicContact CB-CE1 3.97Å; I196-F221 HydrophobicContact CB-CE2 4.44Å; I196-F221 HydrophobicContact CB-CZ 3.93Å; I196-F221 HydrophobicContact CD1-CD1 3.82Å; I196-F221 HydrophobicContact CD1-CE1 3.89Å; I196-F221 HydrophobicContact CD1-CG 4.48Å; I196-F221 HydrophobicContact CG2-CD1 4.02Å; I196-F221 HydrophobicContact CG2-CD2 3.71Å; I196-F221 HydrophobicContact CG2-CE1 3.65Å; I196-F221 HydrophobicContact CG2-CE2 3.37Å; I196-F221 HydrophobicContact CG2-CG 4.03Å; I196-F221 HydrophobicContact CG2-CZ 3.34Å; I196-L224 HydrophobicContact CD1-CB 4.36Å; I196-L224 HydrophobicContact CD1-CD2 3.76Å |
| 197 | G | 86.6 | Confident | 80 | Confident | 18 Ų | 18 | 50.1 Ų | 50.1 | 19% | 0.186 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.8 | -31.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | H193 L194 K195 T200 | H193-G197 PolarHBondContact O-N 3.06Å; L194-G197 WeakPolarHBondContact O-CA 3.45Å; L194-G197 PolarHBondContact O-N 3.05Å; L194-G197 VanDerWaalsContact O-N 3.17Å; K195-G197 VanDerWaalsContact C-N 3.28Å; K195-G197 PolarHBondContact O-N 3.37Å; G197-T200 PolarHBondContact O-OG1 3.48Å |
| 198 | E | 83.8 | Confident | 78.7 | Confident | 52 Ų | 52 | 56.9 Ų | 56.9 | 24% | 0.243 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -79.6 | -14.1 | 177.3 | -68 | 172.5 | 176.6 | 0 | 0 | 113.9 | L194 K195 I196 T200 C201 K285 | L194-E198 WeakPolarHBondContact O-CG 3.44Å; L194-E198 PolarHBondContact O-N 2.78Å; L194-E198 VanDerWaalsContact O-N 3.1Å; K195-E198 IonicContact NZ-OE2 3.47Å; K195-E198 WeakPolarHBondContact O-CB 3.26Å; K195-E198 PolarHBondContact O-N 2.88Å; I196-E198 PolarHBondContact O-N 3.4Å; E198-T200 PolarHBondContact O-N 3.43Å; E198-C201 VanDerWaalsContact O-CB 3.22Å; E198-C201 WeakPolarHBondContact O-CB 3.46Å; E198-C201 PolarHBondContact O-N 3.36Å; E198-C201 PolarHBondContact O-SG 3.02Å; E198-K285 IonicContact OE1-NZ 2.71Å; E198-K285 PolarHBondContact OE1-NZ 3.42Å |
| 199 | L | 77.6 | Confident | 77.6 | Confident | 13 Ų | 13 | 54.9 Ų | 54.9 | 7% | 0.068 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -61.7 | -13.4 | 176.3 | -66.9 | 176.8 | 0 | 0 | 0 | 113.5 | L65 I66 K195 I196 C201 R216 Q217 A220 | L65-L199 WeakPolarHBondContact O-CD2 3.31Å; I66-L199 HydrophobicContact CG2-CD1 3.77Å; I66-L199 HydrophobicContact CG2-CD2 4.03Å; I66-L199 HydrophobicContact CG2-CG 3.99Å; K195-L199 PolarHBondContact O-N 3Å; I196-L199 HydrophobicContact CG2-CD1 4.26Å; I196-L199 VanDerWaalsContact O-CB 3.31Å; I196-L199 WeakPolarHBondContact O-CB 3.44Å; I196-L199 PolarHBondContact O-N 3.16Å; I196-L199 VanDerWaalsContact O-N 3.1Å; L199-C201 PolarHBondContact O-N 3.18Å; L199-R216 HydrophobicContact CD1-CG 4.2Å; L199-Q217 HydrophobicContact CB-CG 3.71Å; L199-Q217 HydrophobicContact CD1-CG 4.28Å; L199-A220 HydrophobicContact CD1-CB 4.03Å |
| 200 | T | 65.4 | Low | 76.1 | Confident | 47 Ų | 47 | 62.4 Ų | 62.4 | 29% | 0.288 | 32% | 0.322 | S | S | . | . | G | 310 helix | trans | -63.5 | -6.8 | 170.5 | 50.2 | 0 | 0 | 0 | 0 | 113.7 | G197 E198 P212 Q217 | G197-T200 PolarHBondContact O-OG1 3.48Å; E198-T200 PolarHBondContact O-N 3.43Å; T200-P212 HydrophobicContact CG2-CB 3.59Å; T200-Q217 VanDerWaalsContact N-NE2 3.17Å |
| 201 | C | 58.1 | Low | 74.7 | Confident | 40 Ų | 40 | 67.1 Ų | 67.1 | 27% | 0.27 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -112 | -1.6 | -164.9 | -58.9 | 0 | 0 | 0 | 0 | 114.7 | E198 L199 K208 T209 | E198-C201 VanDerWaalsContact O-CB 3.22Å; E198-C201 WeakPolarHBondContact O-CB 3.46Å; E198-C201 PolarHBondContact O-N 3.36Å; E198-C201 PolarHBondContact O-SG 3.02Å; L199-C201 PolarHBondContact O-N 3.18Å; C201-K208 CarbonylContact O-C 3.39Å; C201-K208 WeakPolarHBondContact O-CA 3.44Å; C201-T209 CarbonylContact C-O 3.49Å; C201-T209 WeakPolarHBondContact CA-O 3.31Å; C201-T209 PolarHBondContact O-N 2.92Å |
| 202 | F | 58.1 | Low | 73.4 | Confident | 89 Ų | 89 | 68.3 Ų | 68.3 | 39% | 0.39 | 36% | 0.361 | S | S | . | . | B | Isolated β-bridge | trans | -132 | 134.7 | -176.6 | -58.5 | -79.9 | 0 | 0 | 0 | 113.2 | G206 N207 K208 | F202-G206 WeakPolarHBondContact CD1-O 3.39Å; F202-N207 CarbonylContact C-O 3.49Å; F202-N207 WeakPolarHBondContact CA-O 3.22Å; F202-K208 HydrophobicContact CE1-CB 4.48Å |
| 203 | D | 63.3 | Low | 72.8 | Confident | 55 Ų | 55 | 70.5 Ų | 70.5 | 29% | 0.294 | 37% | 0.373 | S | S | . | . | trans | -76.7 | 175.6 | 174.1 | 70.5 | 9.9 | 0 | 0 | 0 | 111.6 | K205 G206 N207 T209 | D203-K205 PolarHBondContact O-N 3.02Å; D203-K205 VanDerWaalsContact OD1-C 3.3Å; D203-K205 VanDerWaalsContact OD1-CA 3.32Å; D203-K205 WeakPolarHBondContact OD1-CA 3.16Å; D203-K205 WeakPolarHBondContact OD1-CB 3.48Å; D203-K205 PolarHBondContact OD1-N 3.44Å; D203-G206 PolarHBondContact O-N 2.95Å; D203-G206 PolarHBondContact OD1-N 2.85Å; D203-N207 PolarHBondContact N-O 3.01Å; D203-N207 WeakPolarHBondContact OD1-CB 3.45Å; D203-N207 PolarHBondContact OD1-N 3.34Å; D203-N207 PolarHBondContact OD1-ND2 3.02Å; D203-N207 PolarHBondContact OD2-ND2 3.5Å; D203-T209 HydrophobicContact CB-CG2 4.14Å | ||
| 204 | E | 60.9 | Low | 72.4 | Confident | 192 Ų | 192 | 75.6 Ų | 75.6 | 90% | 0.897 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | -17.8 | 177.9 | -65.6 | -166.3 | 157 | 0 | 0 | 113.6 | ||
| 205 | K | 67.3 | Low | 72.3 | Confident | 177 Ų | 177 | 78.1 Ų | 78.1 | 77% | 0.77 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | 3.4 | 178.5 | -59.5 | 178.6 | -177.6 | 179.6 | 0 | 112.4 | D203 N207 | D203-K205 PolarHBondContact O-N 3.02Å; D203-K205 VanDerWaalsContact OD1-C 3.3Å; D203-K205 VanDerWaalsContact OD1-CA 3.32Å; D203-K205 WeakPolarHBondContact OD1-CA 3.16Å; D203-K205 WeakPolarHBondContact OD1-CB 3.48Å; D203-K205 PolarHBondContact OD1-N 3.44Å; K205-N207 VanDerWaalsContact C-N 3.32Å; K205-N207 WeakPolarHBondContact CB-ND2 3.45Å |
| 206 | G | 64.4 | Low | 72.3 | Confident | 49 Ų | 49 | 78.5 Ų | 78.5 | 51% | 0.505 | 42% | 0.418 | S | S | . | . | S | Bend | trans | 77.9 | 10.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | F202 D203 | F202-G206 WeakPolarHBondContact CD1-O 3.39Å; D203-G206 PolarHBondContact O-N 2.95Å; D203-G206 PolarHBondContact OD1-N 2.85Å |
| 207 | N | 69.5 | Low | 72.3 | Confident | 91 Ų | 91 | 78.8 Ų | 78.8 | 49% | 0.487 | 42% | 0.419 | S | S | . | . | trans | -86.2 | 147.2 | 178.1 | -55.7 | -59 | 0 | 0 | 0 | 111 | F202 D203 K205 T209 | F202-N207 CarbonylContact C-O 3.49Å; F202-N207 WeakPolarHBondContact CA-O 3.22Å; D203-N207 PolarHBondContact N-O 3.01Å; D203-N207 WeakPolarHBondContact OD1-CB 3.45Å; D203-N207 PolarHBondContact OD1-N 3.34Å; D203-N207 PolarHBondContact OD1-ND2 3.02Å; D203-N207 PolarHBondContact OD2-ND2 3.5Å; K205-N207 VanDerWaalsContact C-N 3.32Å; K205-N207 WeakPolarHBondContact CB-ND2 3.45Å; N207-T209 PolarHBondContact O-N 3.41Å; N207-T209 VanDerWaalsContact O-N 3.11Å | ||
| 208 | K | 64 | Low | 72.7 | Confident | 173 Ų | 173 | 78.8 Ų | 78.8 | 75% | 0.752 | 42% | 0.415 | S | S | * | . | B | Isolated β-bridge | trans | -62.5 | 116 | 178.7 | -163.2 | 177.6 | -178.8 | -179.4 | 0 | 110.5 | C201 F202 | C201-K208 CarbonylContact O-C 3.39Å; C201-K208 WeakPolarHBondContact O-CA 3.44Å; F202-K208 HydrophobicContact CE1-CB 4.48Å |
| 209 | T | 67.4 | Low | 73.3 | Confident | 34 Ų | 34 | 78.6 Ų | 78.6 | 21% | 0.209 | 41% | 0.414 | C | S | . | . | trans | -118.9 | 149.6 | 177.5 | -175.7 | 0 | 0 | 0 | 0 | 110.7 | C201 D203 N207 V211 | C201-T209 CarbonylContact C-O 3.49Å; C201-T209 WeakPolarHBondContact CA-O 3.31Å; C201-T209 PolarHBondContact O-N 2.92Å; D203-T209 HydrophobicContact CB-CG2 4.14Å; N207-T209 PolarHBondContact O-N 3.41Å; N207-T209 VanDerWaalsContact O-N 3.11Å; T209-V211 VanDerWaalsContact C-N 3.28Å; T209-V211 WeakPolarHBondContact CG2-O 3.3Å; T209-V211 PolarHBondContact OG1-N 2.93Å | ||
| 210 | N | 63.3 | Low | 74.1 | Confident | 160 Ų | 160 | 78 Ų | 78 | 86% | 0.856 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -88.2 | 0.4 | 172.9 | -65.1 | -27.9 | 0 | 0 | 0 | 112 | ||
| 211 | V | 62.7 | Low | 75.7 | Confident | 102 Ų | 102 | 76 Ų | 76 | 62% | 0.618 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -95.8 | 117.6 | -179.6 | -176.4 | 0 | 0 | 0 | 0 | 109.5 | T209 D213 | T209-V211 VanDerWaalsContact C-N 3.28Å; T209-V211 WeakPolarHBondContact CG2-O 3.3Å; T209-V211 PolarHBondContact OG1-N 2.93Å; V211-D213 PolarHBondContact O-N 2.97Å |
| 212 | P | 66.2 | Low | 77.5 | Confident | 54 Ų | 54 | 75.3 Ų | 75.3 | 35% | 0.351 | 39% | 0.391 | S | S | . | . | trans | -70.7 | 121.5 | -178.1 | 26.2 | -32.6 | 0 | 0 | 0 | 111.6 | T200 K214 | T200-P212 HydrophobicContact CG2-CB 3.59Å; P212-K214 VanDerWaalsContact C-N 3.28Å; P212-K214 HydrophobicContact CB-CG 4.5Å; P212-K214 PolarHBondContact O-N 3.24Å | ||
| 213 | D | 80.6 | Confident | 79.4 | Confident | 48 Ų | 48 | 71 Ų | 71 | 26% | 0.257 | 37% | 0.372 | S | S | . | . | trans | -75.5 | 82 | 169.4 | -172.5 | -10.3 | 0 | 0 | 0 | 110.5 | V211 A215 R216 Q217 | V211-D213 PolarHBondContact O-N 2.97Å; D213-A215 VanDerWaalsContact C-N 3.26Å; D213-A215 PolarHBondContact O-N 3.03Å; D213-A215 PolarHBondContact OD1-N 3.43Å; D213-R216 HydrophobicContact CB-CB 4.19Å; D213-R216 WeakPolarHBondContact OD1-CB 3.18Å; D213-R216 PolarHBondContact OD1-N 3.38Å; D213-R216 WeakPolarHBondContact OD2-CB 3.5Å; D213-Q217 WeakPolarHBondContact O-CG 3.48Å; D213-Q217 PolarHBondContact O-N 3.19Å; D213-Q217 VanDerWaalsContact O-N 3.13Å | ||
| 214 | K | 87.1 | Confident | 81 | Confident | 116 Ų | 116 | 68.5 Ų | 68.5 | 50% | 0.504 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63 | -33.5 | -178.7 | -62.5 | 174.9 | -174.4 | 169.6 | 0 | 112.1 | P212 I218 F292 | P212-K214 VanDerWaalsContact C-N 3.28Å; P212-K214 HydrophobicContact CB-CG 4.5Å; P212-K214 PolarHBondContact O-N 3.24Å; K214-I218 WeakPolarHBondContact O-CB 3.44Å; K214-I218 WeakPolarHBondContact O-CD1 3.28Å; K214-I218 VanDerWaalsContact O-CG1 3.24Å; K214-I218 WeakPolarHBondContact O-CG1 2.95Å; K214-I218 PolarHBondContact O-N 3.11Å; K214-F292 HydrophobicContact CB-CE2 4.41Å; K214-F292 HydrophobicContact CG-CE2 4.32Å |
| 215 | A | 89.7 | Confident | 82.7 | Confident | 69 Ų | 69 | 59.4 Ų | 59.4 | 57% | 0.57 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -69.3 | -48.1 | -176 | 0 | 0 | 0 | 0 | 0 | 110.1 | D213 Q217 I218 E219 | D213-A215 VanDerWaalsContact C-N 3.26Å; D213-A215 PolarHBondContact O-N 3.03Å; D213-A215 PolarHBondContact OD1-N 3.43Å; A215-Q217 VanDerWaalsContact C-N 3.33Å; A215-Q217 PolarHBondContact O-N 3.34Å; A215-I218 PolarHBondContact O-N 3.33Å; A215-E219 PolarHBondContact O-N 3.33Å |
| 216 | R | 90.3 | Very high | 84.1 | Confident | 70 Ų | 70 | 51.3 Ų | 51.3 | 26% | 0.264 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.6 | -38 | 175.7 | -167.6 | -176 | 174.9 | 166.2 | 0.3 | 112.6 | L65 L199 D213 E219 A220 | L65-R216 HydrophobicContact CD2-CG 3.96Å; L65-R216 PolarHBondContact O-NE 3.19Å; L65-R216 PolarHBondContact O-NH2 2.87Å; L199-R216 HydrophobicContact CD1-CG 4.2Å; D213-R216 HydrophobicContact CB-CB 4.19Å; D213-R216 WeakPolarHBondContact OD1-CB 3.18Å; D213-R216 PolarHBondContact OD1-N 3.38Å; D213-R216 WeakPolarHBondContact OD2-CB 3.5Å; R216-E219 PolarHBondContact O-N 2.79Å; R216-A220 WeakPolarHBondContact O-CB 3.38Å; R216-A220 PolarHBondContact O-N 2.91Å |
| 217 | Q | 92.4 | Very high | 85.6 | Confident | 5 Ų | 5 | 50.3 Ų | 50.3 | 2% | 0.023 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64.7 | -43.7 | 173.7 | -77.5 | -171.3 | -20.4 | 0 | 0 | 113.2 | I196 L199 T200 D213 A215 E219 A220 F221 F292 | I196-Q217 HydrophobicContact CG2-CB 4.48Å; I196-Q217 HydrophobicContact CG2-CG 4.37Å; I196-Q217 PolarHBondContact O-NE2 2.95Å; L199-Q217 HydrophobicContact CB-CG 3.71Å; L199-Q217 HydrophobicContact CD1-CG 4.28Å; T200-Q217 VanDerWaalsContact N-NE2 3.17Å; D213-Q217 WeakPolarHBondContact O-CG 3.48Å; D213-Q217 PolarHBondContact O-N 3.19Å; D213-Q217 VanDerWaalsContact O-N 3.13Å; A215-Q217 VanDerWaalsContact C-N 3.33Å; A215-Q217 PolarHBondContact O-N 3.34Å; Q217-E219 VanDerWaalsContact C-N 3.32Å; Q217-A220 PolarHBondContact O-N 3.47Å; Q217-F221 VanDerWaalsContact O-CD2 3.22Å; Q217-F221 WeakPolarHBondContact O-CD2 3.46Å; Q217-F221 PolarHBondContact O-N 2.73Å; Q217-F292 HydrophobicContact CB-CE1 3.83Å; Q217-F292 HydrophobicContact CB-CE2 4.15Å; Q217-F292 HydrophobicContact CB-CZ 3.49Å; Q217-F292 VanDerWaalsContact CB-CZ 3.49Å |
| 218 | I | 95.2 | Very high | 86.8 | Confident | 19 Ų | 19 | 46 Ų | 46 | 10% | 0.097 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -59.8 | -47.1 | 175 | -74.4 | 163 | 0 | 0 | 0 | 109.6 | K214 A215 A220 F221 Q222 F292 H296 K299 L300 | K214-I218 WeakPolarHBondContact O-CB 3.44Å; K214-I218 WeakPolarHBondContact O-CD1 3.28Å; K214-I218 VanDerWaalsContact O-CG1 3.24Å; K214-I218 WeakPolarHBondContact O-CG1 2.95Å; K214-I218 PolarHBondContact O-N 3.11Å; A215-I218 PolarHBondContact O-N 3.33Å; I218-A220 PolarHBondContact O-N 3.47Å; I218-F221 PolarHBondContact O-N 3.1Å; I218-Q222 HydrophobicContact CG2-CG 4.24Å; I218-Q222 WeakPolarHBondContact O-CB 3.42Å; I218-Q222 VanDerWaalsContact O-CG 3.25Å; I218-Q222 WeakPolarHBondContact O-CG 3.49Å; I218-Q222 PolarHBondContact O-N 3.43Å; I218-F292 HydrophobicContact CG1-CE1 4.05Å; I218-F292 HydrophobicContact CG1-CZ 3.88Å; I218-H296 HydrophobicContact CD1-CB 4.49Å; I218-H296 HydrophobicContact CG1-CB 4.37Å; I218-K299 HydrophobicContact CD1-CD 3.94Å; I218-K299 HydrophobicContact CG2-CB 4.08Å; I218-L300 HydrophobicContact CB-CD2 4.43Å; I218-L300 HydrophobicContact CG1-CD2 4.22Å; I218-L300 HydrophobicContact CG2-CD2 4.32Å |
| 219 | E | 95.3 | Very high | 88.3 | Confident | 48 Ų | 48 | 39.7 Ų | 39.7 | 22% | 0.224 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -47.3 | 179.1 | -171 | -172.6 | 164.8 | 0 | 0 | 111.8 | L65 A215 R216 Q217 F221 Q222 L223 P304 Y306 | L65-E219 HydrophobicContact CD1-CB 4.22Å; L65-E219 HydrophobicContact CD1-CG 3.85Å; A215-E219 PolarHBondContact O-N 3.33Å; R216-E219 PolarHBondContact O-N 2.79Å; Q217-E219 VanDerWaalsContact C-N 3.32Å; E219-F221 VanDerWaalsContact C-N 3.34Å; E219-F221 PolarHBondContact O-N 3.42Å; E219-Q222 WeakPolarHBondContact O-CB 3.17Å; E219-Q222 PolarHBondContact O-N 2.73Å; E219-L223 HydrophobicContact CG-CD1 4.43Å; E219-L223 WeakPolarHBondContact O-CG 3.45Å; E219-L223 PolarHBondContact O-N 3.17Å; E219-P304 HydrophobicContact CG-CG 4.39Å; E219-Y306 WeakPolarHBondContact OE1-CE1 3.26Å; E219-Y306 VanDerWaalsContact OE1-CZ 3.28Å; E219-Y306 PolarHBondContact OE1-OH 3.37Å |
| 220 | A | 95.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.5 | -40.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L65 I196 L199 R216 Q217 I218 L224 | L65-A220 HydrophobicContact CB-CB 4.38Å; L65-A220 HydrophobicContact CD1-CB 3.93Å; I196-A220 HydrophobicContact CD1-CB 3.84Å; I196-A220 HydrophobicContact CG1-CB 3.72Å; I196-A220 HydrophobicContact CG2-CB 4.04Å; L199-A220 HydrophobicContact CD1-CB 4.03Å; R216-A220 WeakPolarHBondContact O-CB 3.38Å; R216-A220 PolarHBondContact O-N 2.91Å; Q217-A220 PolarHBondContact O-N 3.47Å; I218-A220 PolarHBondContact O-N 3.47Å; A220-L224 WeakPolarHBondContact O-CB 3.5Å; A220-L224 PolarHBondContact O-N 2.93Å |
| 221 | F | 97.4 | Very high | 91 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 1% | 0.013 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -69.8 | -36.7 | 173.9 | -77.1 | -50.7 | 0 | 0 | 0 | 113.1 | H193 I196 Q217 I218 E219 L223 L224 F225 F292 L293 L300 | H193-F221 AromaticContact ND1-CE1 3.48Å; H193-F221 WeakPolarHBondContact ND1-CE1 3.41Å; I196-F221 HydrophobicContact CB-CE1 3.97Å; I196-F221 HydrophobicContact CB-CE2 4.44Å; I196-F221 HydrophobicContact CB-CZ 3.93Å; I196-F221 HydrophobicContact CD1-CD1 3.82Å; I196-F221 HydrophobicContact CD1-CE1 3.89Å; I196-F221 HydrophobicContact CD1-CG 4.48Å; I196-F221 HydrophobicContact CG2-CD1 4.02Å; I196-F221 HydrophobicContact CG2-CD2 3.71Å; I196-F221 HydrophobicContact CG2-CE1 3.65Å; I196-F221 HydrophobicContact CG2-CE2 3.37Å; I196-F221 HydrophobicContact CG2-CG 4.03Å; I196-F221 HydrophobicContact CG2-CZ 3.34Å; Q217-F221 VanDerWaalsContact O-CD2 3.22Å; Q217-F221 WeakPolarHBondContact O-CD2 3.46Å; Q217-F221 PolarHBondContact O-N 2.73Å; I218-F221 PolarHBondContact O-N 3.1Å; E219-F221 VanDerWaalsContact C-N 3.34Å; E219-F221 PolarHBondContact O-N 3.42Å; F221-L223 VanDerWaalsContact C-N 3.32Å; F221-L223 PolarHBondContact O-N 3.15Å; F221-L224 HydrophobicContact CD1-CD2 4.49Å; F221-L224 PolarHBondContact O-N 3.16Å; F221-F225 HydrophobicContact CD1-CE1 4.4Å; F221-F225 VanDerWaalsContact O-CB 3.3Å; F221-F225 WeakPolarHBondContact O-CB 3.39Å; F221-F225 WeakPolarHBondContact O-CD1 3.23Å; F221-F225 WeakPolarHBondContact O-CG 3.44Å; F221-F225 PolarHBondContact O-N 3.39Å; F221-F292 AromaticContact CD2-CD1 3.88Å; F221-F292 HydrophobicContact CD2-CD1 3.88Å; F221-F292 AromaticContact CD2-CE1 3.86Å; F221-F292 HydrophobicContact CD2-CE1 3.86Å; F221-F292 AromaticContact CE2-CD1 3.64Å; F221-F292 HydrophobicContact CE2-CD1 3.64Å; F221-F292 HydrophobicContact CE2-CE1 4.01Å; F221-L293 HydrophobicContact CB-CD2 4.4Å; F221-L293 HydrophobicContact CD1-CD2 3.76Å; F221-L293 HydrophobicContact CD2-CD2 3.65Å; F221-L293 HydrophobicContact CE1-CD2 3.87Å; F221-L293 HydrophobicContact CE2-CD2 3.71Å; F221-L293 HydrophobicContact CG-CD2 3.67Å; F221-L293 HydrophobicContact CZ-CD2 3.82Å; F221-L300 HydrophobicContact CB-CD2 3.85Å; F221-L300 HydrophobicContact CD2-CD2 4.48Å |
| 222 | Q | 97.2 | Very high | 92.6 | Very high | 26 Ų | 26 | 31.6 Ų | 31.6 | 12% | 0.121 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -57.9 | -47.1 | 173.9 | -76.7 | 172.7 | -22.4 | 0 | 0 | 110.8 | I218 E219 F225 M226 K299 L300 K302 P304 | I218-Q222 HydrophobicContact CG2-CG 4.24Å; I218-Q222 WeakPolarHBondContact O-CB 3.42Å; I218-Q222 VanDerWaalsContact O-CG 3.25Å; I218-Q222 WeakPolarHBondContact O-CG 3.49Å; I218-Q222 PolarHBondContact O-N 3.43Å; E219-Q222 WeakPolarHBondContact O-CB 3.17Å; E219-Q222 PolarHBondContact O-N 2.73Å; Q222-F225 PolarHBondContact O-N 3.25Å; Q222-M226 WeakPolarHBondContact O-CG 3.42Å; Q222-M226 PolarHBondContact O-N 3.11Å; Q222-K299 PolarHBondContact NE2-O 3.27Å; Q222-L300 WeakPolarHBondContact CA-O 3.43Å; Q222-L300 WeakPolarHBondContact CG-O 3.42Å; Q222-K302 VanDerWaalsContact CD-O 3.22Å; Q222-K302 VanDerWaalsContact CG-O 3.24Å; Q222-K302 WeakPolarHBondContact CG-O 3.25Å; Q222-K302 PolarHBondContact NE2-O 3.4Å; Q222-P304 HydrophobicContact CB-CG 4.13Å |
| 223 | L | 97.4 | Very high | 94 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.1 | -49.5 | 175.4 | -67.5 | 166.5 | 0 | 0 | 0 | 111.8 | V58 N61 I62 L65 E219 F221 F225 M226 P304 I307 | V58-L223 HydrophobicContact CG1-CB 4.06Å; V58-L223 HydrophobicContact CG1-CD2 4.17Å; V58-L223 VanDerWaalsContact CG1-O 3.26Å; V58-L223 WeakPolarHBondContact CG1-O 3.32Å; N61-L223 HydrophobicContact CB-CD1 3.68Å; N61-L223 HydrophobicContact CB-CD2 3.83Å; N61-L223 HydrophobicContact CB-CG 4.42Å; I62-L223 HydrophobicContact CD1-CB 4.04Å; I62-L223 HydrophobicContact CG1-CB 3.58Å; I62-L223 HydrophobicContact CG1-CD1 4.09Å; I62-L223 HydrophobicContact CG1-CG 4.45Å; L65-L223 HydrophobicContact CD1-CD1 3.46Å; L65-L223 VanDerWaalsContact CD1-CD1 3.46Å; E219-L223 HydrophobicContact CG-CD1 4.43Å; E219-L223 WeakPolarHBondContact O-CG 3.45Å; E219-L223 PolarHBondContact O-N 3.17Å; F221-L223 VanDerWaalsContact C-N 3.32Å; F221-L223 PolarHBondContact O-N 3.15Å; L223-F225 VanDerWaalsContact C-N 3.27Å; L223-F225 PolarHBondContact O-N 2.88Å; L223-M226 HydrophobicContact CB-CE 4.48Å; L223-M226 HydrophobicContact CD2-CE 3.65Å; L223-M226 HydrophobicContact CG-CE 4.39Å; L223-M226 WeakPolarHBondContact O-CB 3.46Å; L223-M226 PolarHBondContact O-N 3.5Å; L223-M226 VanDerWaalsContact O-N 3.08Å; L223-P304 HydrophobicContact CD2-CG 4.07Å; L223-P304 HydrophobicContact CG-CG 4.21Å; L223-I307 HydrophobicContact CD2-CD1 4.34Å; L223-I307 HydrophobicContact CD2-CG1 4.18Å |
| 224 | L | 97.2 | Very high | 94.7 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -61 | -36.8 | -179.6 | -170.3 | 62.5 | 0 | 0 | 0 | 112.1 | I62 L76 H189 A192 I196 A220 F221 M226 L227 | I62-L224 HydrophobicContact CD1-CD1 4.41Å; L76-L224 HydrophobicContact CD1-CD1 3.86Å; H189-L224 HydrophobicContact CB-CD1 4.08Å; H189-L224 HydrophobicContact CB-CD2 4.38Å; H189-L224 HydrophobicContact CB-CG 4.5Å; A192-L224 HydrophobicContact CB-CD1 4.05Å; A192-L224 HydrophobicContact CB-CD2 4.12Å; I196-L224 HydrophobicContact CD1-CB 4.36Å; I196-L224 HydrophobicContact CD1-CD2 3.76Å; A220-L224 WeakPolarHBondContact O-CB 3.5Å; A220-L224 PolarHBondContact O-N 2.93Å; F221-L224 HydrophobicContact CD1-CD2 4.49Å; F221-L224 PolarHBondContact O-N 3.16Å; L224-M226 VanDerWaalsContact C-N 3.3Å; L224-M226 PolarHBondContact O-N 3.32Å; L224-L227 PolarHBondContact O-N 2.96Å |
| 225 | F | 97.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 26 Ų | 26 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -71.4 | -23.1 | 178 | -72.3 | 3.2 | 0 | 0 | 0 | 113.2 | L185 F221 Q222 L223 L227 L228 R233 L236 L240 L293 L300 F301 | L185-F225 HydrophobicContact CD2-CE1 3.87Å; L185-F225 HydrophobicContact CD2-CZ 4.43Å; F221-F225 HydrophobicContact CD1-CE1 4.4Å; F221-F225 VanDerWaalsContact O-CB 3.3Å; F221-F225 WeakPolarHBondContact O-CB 3.39Å; F221-F225 WeakPolarHBondContact O-CD1 3.23Å; F221-F225 WeakPolarHBondContact O-CG 3.44Å; F221-F225 PolarHBondContact O-N 3.39Å; Q222-F225 PolarHBondContact O-N 3.25Å; L223-F225 VanDerWaalsContact C-N 3.27Å; L223-F225 PolarHBondContact O-N 2.88Å; F225-L227 VanDerWaalsContact C-N 3.26Å; F225-L228 HydrophobicContact CB-CD1 4.23Å; F225-L228 HydrophobicContact CD1-CD1 3.76Å; F225-L228 HydrophobicContact CE1-CD1 4.4Å; F225-L228 HydrophobicContact CG-CD1 4.13Å; F225-L228 WeakPolarHBondContact O-CB 3.45Å; F225-L228 PolarHBondContact O-N 3.3Å; F225-R233 WeakPolarHBondContact O-CD 3.11Å; F225-L236 HydrophobicContact CD1-CD2 4.2Å; F225-L236 HydrophobicContact CD2-CD2 4.28Å; F225-L236 HydrophobicContact CE1-CD2 3.8Å; F225-L236 HydrophobicContact CE2-CD2 3.88Å; F225-L236 HydrophobicContact CG-CD2 4.42Å; F225-L236 HydrophobicContact CZ-CD2 3.61Å; F225-L240 HydrophobicContact CE2-CD1 4.26Å; F225-L240 HydrophobicContact CZ-CD1 4.41Å; F225-L293 HydrophobicContact CE1-CD2 4.48Å; F225-L293 HydrophobicContact CZ-CD1 4.21Å; F225-L293 HydrophobicContact CZ-CD2 3.74Å; F225-L300 HydrophobicContact CD2-CB 3.91Å; F225-L300 HydrophobicContact CE2-CB 3.67Å; F225-L300 HydrophobicContact CE2-CD1 3.99Å; F225-L300 HydrophobicContact CE2-CG 4.42Å; F225-L300 HydrophobicContact CZ-CD1 4.45Å; F225-F301 HydrophobicContact CD2-CD1 4.24Å; F225-F301 AromaticContact CD2-CE1 3.88Å; F225-F301 HydrophobicContact CD2-CE1 3.88Å; F225-F301 HydrophobicContact CD2-CE2 4.45Å; F225-F301 AromaticContact CD2-CZ 3.98Å; F225-F301 HydrophobicContact CD2-CZ 3.98Å; F225-F301 HydrophobicContact CE2-CE1 4.25Å; F225-F301 HydrophobicContact CE2-CE2 4.24Å; F225-F301 AromaticContact CE2-CZ 3.88Å; F225-F301 HydrophobicContact CE2-CZ 3.88Å |
| 226 | M | 95.8 | Very high | 95.7 | Very high | 8 Ų | 8 | 22.8 Ų | 22.8 | 4% | 0.039 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.2 | -22.4 | 171.7 | -72.8 | -172.1 | -66.1 | 0 | 0 | 112.7 | V43 R47 F54 V58 Q222 L223 L224 A303 P304 I307 | V43-M226 HydrophobicContact CG1-SD 4.16Å; R47-M226 PolarHBondContact NE-O 3.24Å; R47-M226 PolarHBondContact NH2-O 3.5Å; F54-M226 HydrophobicContact CE1-CB 4.12Å; F54-M226 HydrophobicContact CE2-SD 4.44Å; F54-M226 HydrophobicContact CZ-CB 3.87Å; F54-M226 HydrophobicContact CZ-CG 4.28Å; F54-M226 HydrophobicContact CZ-SD 3.92Å; V58-M226 HydrophobicContact CG1-CE 4.49Å; V58-M226 HydrophobicContact CG2-CB 4.45Å; V58-M226 HydrophobicContact CG2-CE 4.02Å; Q222-M226 WeakPolarHBondContact O-CG 3.42Å; Q222-M226 PolarHBondContact O-N 3.11Å; L223-M226 HydrophobicContact CB-CE 4.48Å; L223-M226 HydrophobicContact CD2-CE 3.65Å; L223-M226 HydrophobicContact CG-CE 4.39Å; L223-M226 WeakPolarHBondContact O-CB 3.46Å; L223-M226 PolarHBondContact O-N 3.5Å; L223-M226 VanDerWaalsContact O-N 3.08Å; L224-M226 VanDerWaalsContact C-N 3.3Å; L224-M226 PolarHBondContact O-N 3.32Å; M226-A303 HydrophobicContact SD-CB 4.04Å; M226-P304 HydrophobicContact CE-CG 4.39Å; M226-I307 HydrophobicContact CE-CG1 4.23Å; M226-I307 HydrophobicContact CE-CG2 4.39Å; M226-I307 HydrophobicContact SD-CG2 4.32Å |
| 227 | L | 95.8 | Very high | 96 | Very high | 27 Ų | 27 | 25.2 Ų | 25.2 | 14% | 0.141 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -10.1 | 174.5 | -59.9 | -178.1 | 0 | 0 | 0 | 113.8 | A55 V58 L59 I62 L224 F225 | A55-L227 HydrophobicContact CB-CD2 4.44Å; V58-L227 HydrophobicContact CB-CD2 3.92Å; V58-L227 HydrophobicContact CB-CG 4.46Å; V58-L227 HydrophobicContact CG1-CD1 4.11Å; V58-L227 HydrophobicContact CG1-CD2 3.68Å; V58-L227 HydrophobicContact CG1-CG 3.67Å; L59-L227 HydrophobicContact CD2-CD1 3.65Å; L59-L227 HydrophobicContact CG-CD1 4.09Å; I62-L227 HydrophobicContact CD1-CD1 3.54Å; I62-L227 HydrophobicContact CD1-CG 4.38Å; L224-L227 PolarHBondContact O-N 2.96Å; F225-L227 VanDerWaalsContact C-N 3.26Å |
| 228 | L | 95.8 | Very high | 96.3 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | S | Bend | trans | -69.9 | 141.7 | 177.1 | -71.8 | 173 | 0 | 0 | 0 | 111.1 | R47 L185 M186 F225 R233 L236 | R47-L228 PolarHBondContact NH2-O 3.36Å; L185-L228 HydrophobicContact CD2-CD1 4.38Å; M186-L228 HydrophobicContact CG-CD2 3.79Å; M186-L228 HydrophobicContact SD-CD2 4.07Å; F225-L228 HydrophobicContact CB-CD1 4.23Å; F225-L228 HydrophobicContact CD1-CD1 3.76Å; F225-L228 HydrophobicContact CE1-CD1 4.4Å; F225-L228 HydrophobicContact CG-CD1 4.13Å; F225-L228 WeakPolarHBondContact O-CB 3.45Å; F225-L228 PolarHBondContact O-N 3.3Å; L228-R233 HydrophobicContact CB-CB 4.06Å; L228-L236 HydrophobicContact CD1-CD2 3.67Å |
| 229 | P | 94.6 | Very high | 96.4 | Very high | 41 Ų | 41 | 27.2 Ų | 27.2 | 27% | 0.266 | 15% | 0.148 | S | C | . | . | trans | -50.6 | 144.8 | 169.3 | -26.6 | 32.5 | 0 | 0 | 0 | 111.7 | M186 A231 N232 R233 | M186-P229 HydrophobicContact CE-CG 4Å; M186-P229 WeakPolarHBondContact SD-CD 3.44Å; M186-P229 HydrophobicContact SD-CG 3.93Å; P229-A231 VanDerWaalsContact C-N 3.28Å; P229-A231 PolarHBondContact O-N 2.9Å; P229-N232 HydrophobicContact CB-CB 4.33Å; P229-N232 PolarHBondContact O-N 2.95Å; P229-N232 VanDerWaalsContact O-N 3.12Å; P229-R233 PolarHBondContact O-N 3.46Å | ||
| 230 | P | 92.9 | Very high | 96.6 | Very high | 80 Ų | 80 | 24.9 Ų | 24.9 | 52% | 0.519 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -52.3 | -44.1 | -177.1 | -28.8 | 35.6 | 0 | 0 | 0 | 113.6 | R233 S234 | P230-R233 PolarHBondContact O-N 3.3Å; P230-S234 WeakPolarHBondContact O-CB 3.34Å; P230-S234 PolarHBondContact O-N 3.5Å |
| 231 | A | 94.6 | Very high | 96.7 | Very high | 25 Ų | 25 | 27.9 Ų | 27.9 | 21% | 0.207 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.9 | -50.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L110 I115 P229 R233 S234 L235 | L110-A231 HydrophobicContact CD2-CB 4.06Å; L110-A231 HydrophobicContact CG-CB 4.21Å; I115-A231 HydrophobicContact CD1-CB 3.84Å; I115-A231 WeakPolarHBondContact CD1-O 3.37Å; P229-A231 VanDerWaalsContact C-N 3.28Å; P229-A231 PolarHBondContact O-N 2.9Å; A231-R233 PolarHBondContact O-N 2.77Å; A231-S234 PolarHBondContact O-N 3.09Å; A231-L235 PolarHBondContact O-N 2.63Å |
| 232 | N | 96.5 | Very high | 96.7 | Very high | 20 Ų | 20 | 28 Ų | 28 | 11% | 0.107 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -59.6 | -46.5 | 177.4 | -67.1 | 55.4 | 0 | 0 | 0 | 111.5 | L110 L184 P229 S234 L236 | L110-N232 HydrophobicContact CD2-CB 4.49Å; L184-N232 HydrophobicContact CD1-CB 4.15Å; L184-N232 PolarHBondContact O-ND2 3.24Å; P229-N232 HydrophobicContact CB-CB 4.33Å; P229-N232 PolarHBondContact O-N 2.95Å; P229-N232 VanDerWaalsContact O-N 3.12Å; N232-S234 VanDerWaalsContact C-N 3.34Å; N232-S234 PolarHBondContact O-N 3.04Å; N232-L236 WeakPolarHBondContact O-CB 3.37Å; N232-L236 PolarHBondContact O-N 2.7Å |
| 233 | R | 96.1 | Very high | 96.8 | Very high | 41 Ų | 41 | 26.8 Ų | 26.8 | 16% | 0.155 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 180 | -171.7 | -177.9 | 177.6 | -116.7 | 3 | 111.5 | E44 F225 L228 P229 P230 A231 K237 F301 | E44-R233 IonicContact OE1-CZ 3.96Å; E44-R233 IonicContact OE1-NH1 2.66Å; E44-R233 PolarHBondContact OE1-NH1 3.11Å; E44-R233 IonicContact OE1-NH2 3.85Å; F225-R233 WeakPolarHBondContact O-CD 3.11Å; L228-R233 HydrophobicContact CB-CB 4.06Å; P229-R233 PolarHBondContact O-N 3.46Å; P230-R233 PolarHBondContact O-N 3.3Å; A231-R233 PolarHBondContact O-N 2.77Å; R233-K237 WeakPolarHBondContact O-CB 3.38Å; R233-K237 PolarHBondContact O-N 2.91Å; R233-F301 HydrophobicContact CG-CD1 4.13Å; R233-F301 HydrophobicContact CG-CE1 4.1Å; R233-F301 PolarHBondContact NH2-O 2.8Å |
| 234 | S | 95.5 | Very high | 96.9 | Very high | 60 Ų | 60 | 29.3 Ų | 29.3 | 42% | 0.42 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -63 | -52.9 | 178.6 | -172.2 | 0 | 0 | 0 | 0 | 111.5 | P230 A231 N232 L236 K237 L238 | P230-S234 WeakPolarHBondContact O-CB 3.34Å; P230-S234 PolarHBondContact O-N 3.5Å; A231-S234 PolarHBondContact O-N 3.09Å; N232-S234 VanDerWaalsContact C-N 3.34Å; N232-S234 PolarHBondContact O-N 3.04Å; S234-L236 VanDerWaalsContact C-N 3.34Å; S234-L236 PolarHBondContact O-N 3.41Å; S234-K237 WeakPolarHBondContact O-CB 3.17Å; S234-K237 PolarHBondContact O-N 2.87Å; S234-K237 VanDerWaalsContact O-N 3.16Å; S234-L238 PolarHBondContact O-N 3.06Å; S234-L238 VanDerWaalsContact O-N 3.17Å |
| 235 | L | 97.6 | Very high | 96.9 | Very high | 1 Ų | 1 | 32.3 Ų | 32.3 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.8 | -40.2 | 178.2 | 178.3 | 60.8 | 0 | 0 | 0 | 112.1 | L110 I115 I118 I122 F176 L177 L184 A231 K237 L238 L239 | L110-L235 HydrophobicContact CD1-CD2 3.73Å; L110-L235 HydrophobicContact CD2-CB 4.43Å; L110-L235 HydrophobicContact CD2-CD2 4.12Å; I115-L235 HydrophobicContact CD1-CB 4.45Å; I115-L235 HydrophobicContact CG1-CB 4.35Å; I118-L235 HydrophobicContact CG2-CD1 4.16Å; I122-L235 HydrophobicContact CD1-CD1 4.05Å; F176-L235 HydrophobicContact CE1-CD2 3.82Å; L177-L235 HydrophobicContact CD2-CD2 4.11Å; L184-L235 HydrophobicContact CD1-CB 4.21Å; L184-L235 HydrophobicContact CD1-CD2 3.94Å; L184-L235 HydrophobicContact CD1-CG 4.22Å; L184-L235 HydrophobicContact CD2-CG 4.37Å; A231-L235 PolarHBondContact O-N 2.63Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 3.47Å; L235-L238 PolarHBondContact O-N 3.37Å; L235-L239 VanDerWaalsContact O-CB 3.31Å; L235-L239 WeakPolarHBondContact O-CB 3.34Å; L235-L239 PolarHBondContact O-N 2.79Å |
| 236 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.8 | -39.3 | 176.2 | -176.8 | 71 | 0 | 0 | 0 | 111.8 | L184 L185 F225 L228 N232 S234 L239 L240 F301 | L184-L236 HydrophobicContact CD2-CB 3.99Å; L184-L236 HydrophobicContact CD2-CD1 3.8Å; L184-L236 HydrophobicContact CG-CB 4.27Å; L184-L236 HydrophobicContact CG-CD1 4.3Å; L185-L236 HydrophobicContact CD2-CD1 3.92Å; L185-L236 HydrophobicContact CD2-CD2 3.49Å; L185-L236 VanDerWaalsContact CD2-CD2 3.49Å; L185-L236 HydrophobicContact CD2-CG 4.35Å; L185-L236 HydrophobicContact CG-CD1 4.3Å; F225-L236 HydrophobicContact CD1-CD2 4.2Å; F225-L236 HydrophobicContact CD2-CD2 4.28Å; F225-L236 HydrophobicContact CE1-CD2 3.8Å; F225-L236 HydrophobicContact CE2-CD2 3.88Å; F225-L236 HydrophobicContact CG-CD2 4.42Å; F225-L236 HydrophobicContact CZ-CD2 3.61Å; L228-L236 HydrophobicContact CD1-CD2 3.67Å; N232-L236 WeakPolarHBondContact O-CB 3.37Å; N232-L236 PolarHBondContact O-N 2.7Å; S234-L236 VanDerWaalsContact C-N 3.34Å; S234-L236 PolarHBondContact O-N 3.41Å; L236-L239 PolarHBondContact O-N 3.25Å; L236-L240 HydrophobicContact CD1-CD1 4.1Å; L236-L240 HydrophobicContact CD1-CG 4.08Å; L236-L240 HydrophobicContact CD2-CD1 4.49Å; L236-L240 HydrophobicContact CG-CD1 3.97Å; L236-L240 HydrophobicContact CG-CG 4.25Å; L236-L240 WeakPolarHBondContact O-CB 3.36Å; L236-L240 VanDerWaalsContact O-CG 3.31Å; L236-L240 WeakPolarHBondContact O-CG 3.27Å; L236-L240 PolarHBondContact O-N 3.38Å; L236-F301 HydrophobicContact CB-CZ 4.38Å; L236-F301 HydrophobicContact CD2-CE1 4.32Å; L236-F301 HydrophobicContact CD2-CZ 4.11Å; L236-F301 HydrophobicContact CG-CE1 4.49Å; L236-F301 HydrophobicContact CG-CZ 4Å |
| 237 | K | 97.5 | Very high | 97.1 | Very high | 122 Ų | 122 | 32.6 Ų | 32.6 | 53% | 0.53 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -61.3 | -50.5 | 176.2 | -174.5 | -179.2 | 174.5 | -173 | 0 | 111.2 | R233 S234 L235 L239 L240 D241 F301 | R233-K237 WeakPolarHBondContact O-CB 3.38Å; R233-K237 PolarHBondContact O-N 2.91Å; S234-K237 WeakPolarHBondContact O-CB 3.17Å; S234-K237 PolarHBondContact O-N 2.87Å; S234-K237 VanDerWaalsContact O-N 3.16Å; L235-K237 VanDerWaalsContact C-N 3.29Å; L235-K237 PolarHBondContact O-N 3.47Å; K237-L239 VanDerWaalsContact C-N 3.35Å; K237-L239 PolarHBondContact O-N 2.96Å; K237-L240 PolarHBondContact O-N 3.29Å; K237-D241 WeakPolarHBondContact O-CB 3.24Å; K237-D241 PolarHBondContact O-N 3.12Å; K237-F301 HydrophobicContact CB-CD1 3.9Å; K237-F301 HydrophobicContact CB-CD2 4.28Å; K237-F301 HydrophobicContact CB-CE1 3.63Å; K237-F301 HydrophobicContact CB-CE2 4.03Å; K237-F301 HydrophobicContact CB-CG 4.22Å; K237-F301 HydrophobicContact CB-CZ 3.71Å; K237-F301 HydrophobicContact CD-CB 4.46Å; K237-F301 HydrophobicContact CD-CD1 4.39Å; K237-F301 HydrophobicContact CD-CG 4.24Å; K237-F301 HydrophobicContact CG-CD1 4.17Å; K237-F301 HydrophobicContact CG-CD2 3.96Å; K237-F301 HydrophobicContact CG-CE1 4.3Å; K237-F301 HydrophobicContact CG-CE2 4.11Å; K237-F301 HydrophobicContact CG-CG 3.99Å; K237-F301 HydrophobicContact CG-CZ 4.28Å |
| 238 | L | 98.1 | Very high | 97.2 | Very high | 64 Ų | 64 | 38.6 Ų | 38.6 | 34% | 0.335 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.1 | -44.2 | 178.7 | -65.1 | 171.3 | 0 | 0 | 0 | 111.6 | C119 I122 S234 L235 D241 L242 | C119-L238 VanDerWaalsContact SG-CD1 3.53Å; I122-L238 HydrophobicContact CD1-CB 3.95Å; S234-L238 PolarHBondContact O-N 3.06Å; S234-L238 VanDerWaalsContact O-N 3.17Å; L235-L238 PolarHBondContact O-N 3.37Å; L238-D241 PolarHBondContact O-N 2.91Å; L238-L242 PolarHBondContact O-N 3.4Å |
| 239 | L | 98.6 | Very high | 97.2 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -62.3 | -51.2 | 177.7 | 178 | 64.9 | 0 | 0 | 0 | 111.8 | L173 L177 L184 L235 L236 K237 D241 L242 L243 F264 I268 | L173-L239 HydrophobicContact CD2-CD1 4.1Å; L177-L239 HydrophobicContact CD1-CD1 4.13Å; L177-L239 HydrophobicContact CD1-CD2 3.71Å; L177-L239 HydrophobicContact CD2-CD2 4.39Å; L184-L239 HydrophobicContact CD2-CD2 3.93Å; L235-L239 VanDerWaalsContact O-CB 3.31Å; L235-L239 WeakPolarHBondContact O-CB 3.34Å; L235-L239 PolarHBondContact O-N 2.79Å; L236-L239 PolarHBondContact O-N 3.25Å; K237-L239 VanDerWaalsContact C-N 3.35Å; K237-L239 PolarHBondContact O-N 2.96Å; L239-D241 VanDerWaalsContact C-N 3.25Å; L239-D241 PolarHBondContact O-N 3.44Å; L239-L242 PolarHBondContact O-N 3Å; L239-L243 HydrophobicContact CD1-CD1 4.1Å; L239-L243 HydrophobicContact CD1-CG 4.2Å; L239-L243 HydrophobicContact CG-CD1 4.03Å; L239-L243 HydrophobicContact CG-CG 4.44Å; L239-L243 VanDerWaalsContact O-CG 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.4Å; L239-L243 PolarHBondContact O-N 3.19Å; L239-F264 HydrophobicContact CD1-CD1 4.21Å; L239-F264 HydrophobicContact CD1-CE1 3.69Å; L239-F264 HydrophobicContact CD1-CZ 4.31Å; L239-F264 HydrophobicContact CD2-CD1 4.34Å; L239-I268 HydrophobicContact CD2-CG2 3.87Å |
| 240 | L | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -66.2 | -29.4 | -178.3 | -71.9 | -178.2 | 0 | 0 | 0 | 112.3 | F225 L236 K237 Y244 L293 I294 F301 | F225-L240 HydrophobicContact CE2-CD1 4.26Å; F225-L240 HydrophobicContact CZ-CD1 4.41Å; L236-L240 HydrophobicContact CD1-CD1 4.1Å; L236-L240 HydrophobicContact CD1-CG 4.08Å; L236-L240 HydrophobicContact CD2-CD1 4.49Å; L236-L240 HydrophobicContact CG-CD1 3.97Å; L236-L240 HydrophobicContact CG-CG 4.25Å; L236-L240 WeakPolarHBondContact O-CB 3.36Å; L236-L240 VanDerWaalsContact O-CG 3.31Å; L236-L240 WeakPolarHBondContact O-CG 3.27Å; L236-L240 PolarHBondContact O-N 3.38Å; K237-L240 PolarHBondContact O-N 3.29Å; L240-Y244 WeakPolarHBondContact O-CB 3.42Å; L240-Y244 PolarHBondContact O-N 3.05Å; L240-L293 HydrophobicContact CD1-CB 4.11Å; L240-L293 HydrophobicContact CD2-CB 4.03Å; L240-I294 HydrophobicContact CD2-CG1 4.04Å; L240-F301 HydrophobicContact CD1-CE2 3.97Å; L240-F301 HydrophobicContact CD1-CZ 4Å |
| 241 | D | 98.1 | Very high | 97.6 | Very high | 64 Ų | 64 | 45.1 Ų | 45.1 | 34% | 0.342 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68 | -48 | 173.5 | -163 | 60.9 | 0 | 0 | 0 | 111.5 | K237 L238 L239 L243 Y244 H245 Q298 | K237-D241 WeakPolarHBondContact O-CB 3.24Å; K237-D241 PolarHBondContact O-N 3.12Å; L238-D241 PolarHBondContact O-N 2.91Å; L239-D241 VanDerWaalsContact C-N 3.25Å; L239-D241 PolarHBondContact O-N 3.44Å; D241-L243 VanDerWaalsContact C-N 3.34Å; D241-L243 PolarHBondContact O-N 3.29Å; D241-Y244 WeakPolarHBondContact O-CB 3.47Å; D241-Y244 PolarHBondContact O-N 3.35Å; D241-H245 PolarHBondContact O-CD2 2.88Å; D241-H245 VanDerWaalsContact O-CD2 3.25Å; D241-H245 PolarHBondContact O-N 2.9Å; D241-H245 IonicContact OD1-CD2 3.61Å; D241-H245 IonicContact OD1-NE2 3.66Å; D241-H245 IonicContact OD2-CD2 3.06Å; D241-H245 IonicContact OD2-NE2 3.34Å; D241-Q298 PolarHBondContact OD1-NE2 2.94Å |
| 242 | L | 98.6 | Very high | 97.7 | Very high | 5 Ų | 5 | 48.6 Ų | 48.6 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.3 | -46.9 | 173.4 | 176.4 | 63.6 | 0 | 0 | 0 | 111.9 | I122 L125 L129 F135 L173 L238 L239 H245 T246 | I122-L242 HydrophobicContact CB-CD2 4.44Å; I122-L242 HydrophobicContact CG1-CD2 4.28Å; I122-L242 HydrophobicContact CG2-CB 4.31Å; I122-L242 HydrophobicContact CG2-CD2 4.21Å; L125-L242 HydrophobicContact CB-CD1 3.88Å; L125-L242 HydrophobicContact CB-CD2 4Å; L125-L242 HydrophobicContact CD1-CD2 4.03Å; L129-L242 HydrophobicContact CD2-CD1 3.96Å; F135-L242 HydrophobicContact CZ-CD2 3.85Å; F135-L242 HydrophobicContact CZ-CG 4.3Å; L173-L242 HydrophobicContact CD2-CD2 3.89Å; L238-L242 PolarHBondContact O-N 3.4Å; L239-L242 PolarHBondContact O-N 3Å; L242-H245 PolarHBondContact O-N 3.33Å; L242-T246 WeakPolarHBondContact O-CB 3.27Å; L242-T246 PolarHBondContact O-N 3.48Å; L242-T246 PolarHBondContact O-OG1 3.01Å |
| 243 | L | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67.3 | -36.2 | 179.4 | -64.6 | 179.9 | 0 | 0 | 0 | 112.2 | F135 L239 D241 T246 A247 L260 F264 I294 | F135-L243 HydrophobicContact CD2-CD2 4.29Å; F135-L243 HydrophobicContact CE2-CD2 3.97Å; F135-L243 HydrophobicContact CZ-CD2 4.33Å; L239-L243 HydrophobicContact CD1-CD1 4.1Å; L239-L243 HydrophobicContact CD1-CG 4.2Å; L239-L243 HydrophobicContact CG-CD1 4.03Å; L239-L243 HydrophobicContact CG-CG 4.44Å; L239-L243 VanDerWaalsContact O-CG 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.4Å; L239-L243 PolarHBondContact O-N 3.19Å; D241-L243 VanDerWaalsContact C-N 3.34Å; D241-L243 PolarHBondContact O-N 3.29Å; L243-T246 PolarHBondContact O-N 3.12Å; L243-A247 WeakPolarHBondContact O-CB 3.36Å; L243-A247 PolarHBondContact O-N 2.97Å; L243-L260 HydrophobicContact CB-CD1 4.44Å; L243-L260 HydrophobicContact CD2-CD1 4.36Å; L243-L260 HydrophobicContact CD2-CD2 4.18Å; L243-L260 WeakPolarHBondContact O-CD1 3.5Å; L243-F264 HydrophobicContact CD1-CB 4.44Å; L243-F264 HydrophobicContact CD1-CD1 4.22Å; L243-F264 HydrophobicContact CD1-CD2 3.98Å; L243-F264 HydrophobicContact CD1-CE2 4.29Å; L243-F264 HydrophobicContact CD1-CG 3.94Å; L243-F264 HydrophobicContact CD2-CD2 3.81Å; L243-F264 HydrophobicContact CD2-CE1 4.46Å; L243-F264 HydrophobicContact CD2-CE2 3.39Å; L243-F264 HydrophobicContact CD2-CZ 3.75Å; L243-F264 HydrophobicContact CG-CE2 4.46Å; L243-I294 HydrophobicContact CB-CD1 4.19Å; L243-I294 HydrophobicContact CB-CG1 3.97Å; L243-I294 HydrophobicContact CB-CG2 4.13Å; L243-I294 HydrophobicContact CD1-CD1 4Å; L243-I294 HydrophobicContact CD1-CG1 4.11Å |
| 244 | Y | 98.5 | Very high | 97.8 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 21% | 0.208 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -48.5 | 174.3 | 171.8 | -103.5 | 0 | 0 | 0 | 111.2 | L240 D241 A247 R248 I294 S297 Q298 | L240-Y244 WeakPolarHBondContact O-CB 3.42Å; L240-Y244 PolarHBondContact O-N 3.05Å; D241-Y244 WeakPolarHBondContact O-CB 3.47Å; D241-Y244 PolarHBondContact O-N 3.35Å; Y244-A247 PolarHBondContact O-N 3.03Å; Y244-R248 VanDerWaalsContact CE1-CD 3.42Å; Y244-R248 HydrophobicContact CE1-CG 4.37Å; Y244-R248 HydrophobicContact CE2-CG 4.43Å; Y244-R248 VanDerWaalsContact CZ-CD 3.49Å; Y244-R248 WeakPolarHBondContact O-CG 3.17Å; Y244-R248 PolarHBondContact O-N 3.5Å; Y244-I294 WeakPolarHBondContact CD2-O 3.27Å; Y244-S297 WeakPolarHBondContact CB-OG 3.48Å; Y244-Q298 HydrophobicContact CD1-CG 4.38Å; Y244-Q298 HydrophobicContact CE1-CG 3.99Å |
| 245 | H | 98.4 | Very high | 97.9 | Very high | 65 Ų | 65 | 47.9 Ų | 47.9 | 30% | 0.301 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.9 | -36.1 | 177.5 | -78.3 | -72.3 | 0 | 0 | 0 | 112.9 | L129 D241 L242 R248 S249 | L129-H245 HydrophobicContact CD1-CB 3.72Å; D241-H245 PolarHBondContact O-CD2 2.88Å; D241-H245 VanDerWaalsContact O-CD2 3.25Å; D241-H245 PolarHBondContact O-N 2.9Å; D241-H245 IonicContact OD1-CD2 3.61Å; D241-H245 IonicContact OD1-NE2 3.66Å; D241-H245 IonicContact OD2-CD2 3.06Å; D241-H245 IonicContact OD2-NE2 3.34Å; L242-H245 PolarHBondContact O-N 3.33Å; H245-R248 PolarHBondContact O-N 2.88Å; H245-S249 PolarHBondContact O-N 3.37Å; H245-S249 PolarHBondContact O-OG 3.39Å; H245-S249 VanDerWaalsContact O-OG 3.07Å |
| 246 | T | 98.3 | Very high | 98 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.1 | -48.2 | 171.5 | -54.9 | 0 | 0 | 0 | 0 | 110.6 | L129 L134 F135 L242 L243 R248 S249 N253 M255 L260 | L129-T246 WeakPolarHBondContact CD2-OG1 3.04Å; L134-T246 HydrophobicContact CD2-CG2 4.28Å; F135-T246 HydrophobicContact CD2-CG2 4.36Å; F135-T246 HydrophobicContact CE2-CG2 4.25Å; L242-T246 WeakPolarHBondContact O-CB 3.27Å; L242-T246 PolarHBondContact O-N 3.48Å; L242-T246 PolarHBondContact O-OG1 3.01Å; L243-T246 PolarHBondContact O-N 3.12Å; T246-R248 VanDerWaalsContact C-N 3.34Å; T246-R248 PolarHBondContact O-N 3.36Å; T246-S249 CarbonylContact O-C 3.59Å; T246-S249 PolarHBondContact O-N 3.42Å; T246-S249 VanDerWaalsContact O-N 3.09Å; T246-N253 PolarHBondContact O-ND2 3.21Å; T246-M255 HydrophobicContact CG2-CB 4.26Å; T246-L260 HydrophobicContact CG2-CD1 3.93Å; T246-L260 HydrophobicContact CG2-CD2 4.09Å |
| 247 | A | 97.9 | Very high | 97.9 | Very high | 15 Ų | 15 | 49.4 Ų | 49.4 | 12% | 0.124 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.1 | -35.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L243 Y244 S249 Q250 M255 A257 L260 I294 | L243-A247 WeakPolarHBondContact O-CB 3.36Å; L243-A247 PolarHBondContact O-N 2.97Å; Y244-A247 PolarHBondContact O-N 3.03Å; A247-S249 PolarHBondContact O-N 2.9Å; A247-Q250 WeakPolarHBondContact O-CB 3.41Å; A247-Q250 WeakPolarHBondContact O-CG 3.45Å; A247-Q250 PolarHBondContact O-N 2.92Å; A247-M255 WeakPolarHBondContact CA-O 3.34Å; A247-A257 HydrophobicContact CB-CB 4.11Å; A247-L260 HydrophobicContact CB-CD1 4.01Å; A247-I294 HydrophobicContact CB-CG2 4.22Å |
| 248 | R | 97.6 | Very high | 97.9 | Very high | 153 Ų | 153 | 46.1 Ų | 46.1 | 58% | 0.577 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65 | -30.2 | 174.1 | -75.1 | -177.4 | 66.5 | -176.8 | 1.3 | 112.5 | Y244 H245 T246 Q250 | Y244-R248 VanDerWaalsContact CE1-CD 3.42Å; Y244-R248 HydrophobicContact CE1-CG 4.37Å; Y244-R248 HydrophobicContact CE2-CG 4.43Å; Y244-R248 VanDerWaalsContact CZ-CD 3.49Å; Y244-R248 WeakPolarHBondContact O-CG 3.17Å; Y244-R248 PolarHBondContact O-N 3.5Å; H245-R248 PolarHBondContact O-N 2.88Å; T246-R248 VanDerWaalsContact C-N 3.34Å; T246-R248 PolarHBondContact O-N 3.36Å; R248-Q250 VanDerWaalsContact C-N 3.25Å; R248-Q250 PolarHBondContact O-N 2.88Å |
| 249 | S | 97.4 | Very high | 97.9 | Very high | 26 Ų | 26 | 46.2 Ų | 46.2 | 18% | 0.182 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | 15.9 | 179 | -52.1 | 0 | 0 | 0 | 0 | 113.1 | H245 T246 A247 H251 M252 N253 | H245-S249 PolarHBondContact O-N 3.37Å; H245-S249 PolarHBondContact O-OG 3.39Å; H245-S249 VanDerWaalsContact O-OG 3.07Å; T246-S249 CarbonylContact O-C 3.59Å; T246-S249 PolarHBondContact O-N 3.42Å; T246-S249 VanDerWaalsContact O-N 3.09Å; A247-S249 PolarHBondContact O-N 2.9Å; S249-H251 PolarHBondContact O-N 3.17Å; S249-M252 PolarHBondContact O-N 3.25Å; S249-N253 PolarHBondContact O-N 3.47Å; S249-N253 PolarHBondContact O-OD1 2.94Å |
| 250 | Q | 97.3 | Very high | 97.9 | Very high | 102 Ų | 102 | 46.2 Ų | 46.2 | 48% | 0.477 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -55.7 | -25.2 | -176.7 | 70 | 171.1 | -13.4 | 0 | 0 | 115.1 | A247 R248 M252 N253 K254 M255 | A247-Q250 WeakPolarHBondContact O-CB 3.41Å; A247-Q250 WeakPolarHBondContact O-CG 3.45Å; A247-Q250 PolarHBondContact O-N 2.92Å; R248-Q250 VanDerWaalsContact C-N 3.25Å; R248-Q250 PolarHBondContact O-N 2.88Å; Q250-M252 PolarHBondContact O-N 3.37Å; Q250-N253 VanDerWaalsContact CA-OD1 3.27Å; Q250-N253 WeakPolarHBondContact CA-OD1 3.22Å; Q250-K254 WeakPolarHBondContact O-CA 3.41Å; Q250-K254 PolarHBondContact O-N 3.44Å; Q250-M255 WeakPolarHBondContact CB-O 3.41Å |
| 251 | H | 96.9 | Very high | 97.8 | Very high | 130 Ų | 130 | 46.2 Ų | 46.2 | 60% | 0.602 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -64.7 | -32.2 | 177.5 | 63.3 | -75.8 | 0 | 0 | 0 | 111.8 | S249 K254 | S249-H251 PolarHBondContact O-N 3.17Å; H251-K254 PolarHBondContact O-NZ 3.13Å |
| 252 | M | 97.2 | Very high | 97.7 | Very high | 99 Ų | 99 | 46.4 Ų | 46.4 | 49% | 0.488 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -88.8 | -61.2 | 173.3 | -57.2 | -176.9 | 77.9 | 0 | 0 | 110.9 | H130 S249 Q250 K254 | H130-M252 HydrophobicContact CB-CE 3.62Å; H130-M252 HydrophobicContact CB-SD 4.09Å; S249-M252 PolarHBondContact O-N 3.25Å; Q250-M252 PolarHBondContact O-N 3.37Å; M252-K254 PolarHBondContact O-N 2.88Å |
| 253 | N | 97.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -82.4 | -7.7 | -169 | 65 | 34.1 | 0 | 0 | 0 | 115 | L129 V131 G133 T246 S249 Q250 M255 | L129-N253 WeakPolarHBondContact O-CB 3.33Å; L129-N253 PolarHBondContact O-ND2 3.4Å; V131-N253 WeakPolarHBondContact O-CB 3.25Å; G133-N253 PolarHBondContact N-O 2.94Å; T246-N253 PolarHBondContact O-ND2 3.21Å; S249-N253 PolarHBondContact O-N 3.47Å; S249-N253 PolarHBondContact O-OD1 2.94Å; Q250-N253 VanDerWaalsContact CA-OD1 3.27Å; Q250-N253 WeakPolarHBondContact CA-OD1 3.22Å; N253-M255 PolarHBondContact O-N 2.82Å; N253-M255 WeakPolarHBondContact OD1-CB 3.37Å; N253-M255 PolarHBondContact OD1-N 3.06Å |
| 254 | K | 97.9 | Very high | 97.6 | Very high | 105 Ų | 105 | 48 Ų | 48 | 46% | 0.457 | 23% | 0.233 | S | C | . | . | trans | 63 | 17.4 | -178.8 | -44.4 | -55.4 | 179.6 | -170.1 | 0 | 115.2 | E132 Q250 H251 M252 | E132-K254 HydrophobicContact CG-CG 4.01Å; Q250-K254 WeakPolarHBondContact O-CA 3.41Å; Q250-K254 PolarHBondContact O-N 3.44Å; H251-K254 PolarHBondContact O-NZ 3.13Å; M252-K254 PolarHBondContact O-N 2.88Å | ||
| 255 | M | 97.8 | Very high | 97.4 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.005 | 22% | 0.223 | C | C | . | . | trans | -106.1 | 101.1 | -178 | -63.9 | -56 | -60.8 | 0 | 0 | 111.6 | L134 R136 T246 A247 Q250 N253 N259 L260 M263 | L134-M255 WeakPolarHBondContact O-CG 3.37Å; R136-M255 HydrophobicContact CB-CE 4Å; R136-M255 HydrophobicContact CB-SD 3.84Å; T246-M255 HydrophobicContact CG2-CB 4.26Å; A247-M255 WeakPolarHBondContact CA-O 3.34Å; Q250-M255 WeakPolarHBondContact CB-O 3.41Å; N253-M255 PolarHBondContact O-N 2.82Å; N253-M255 WeakPolarHBondContact OD1-CB 3.37Å; N253-M255 PolarHBondContact OD1-N 3.06Å; M255-N259 HydrophobicContact CE-CB 3.75Å; M255-L260 HydrophobicContact CB-CD2 4.12Å; M255-L260 HydrophobicContact CB-CG 4.23Å; M255-L260 HydrophobicContact CE-CD2 3.8Å; M255-L260 HydrophobicContact CE-CG 4.26Å; M255-M263 HydrophobicContact CE-CE 3.22Å; M255-M263 HydrophobicContact CE-SD 4.44Å | ||
| 256 | S | 98.1 | Very high | 97.2 | Very high | 22 Ų | 22 | 44.4 Ų | 44.4 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | trans | -76.7 | 163.9 | 172.5 | 73.6 | 0 | 0 | 0 | 0 | 111.8 | I258 N259 L260 | S256-I258 PolarHBondContact O-N 3.45Å; S256-I258 WeakPolarHBondContact OG-CG2 3.39Å; S256-N259 WeakPolarHBondContact O-CB 3.5Å; S256-N259 PolarHBondContact O-N 3.4Å; S256-N259 VanDerWaalsContact O-N 3.12Å; S256-N259 PolarHBondContact OG-N 3.2Å; S256-N259 PolarHBondContact OG-ND2 2.88Å; S256-N259 PolarHBondContact OG-OD1 3.49Å; S256-L260 WeakPolarHBondContact O-CG 3.38Å; S256-L260 PolarHBondContact O-N 2.99Å | ||
| 257 | A | 97.6 | Very high | 97 | Very high | 10 Ų | 10 | 46.8 Ų | 46.8 | 8% | 0.083 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -57.7 | -33.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | A247 A261 I294 R295 | A247-A257 HydrophobicContact CB-CB 4.11Å; A257-A261 VanDerWaalsContact O-CB 3.24Å; A257-A261 WeakPolarHBondContact O-CB 3.31Å; A257-A261 PolarHBondContact O-N 3.2Å; A257-I294 HydrophobicContact CB-CB 4.4Å; A257-I294 HydrophobicContact CB-CG2 3.97Å; A257-R295 HydrophobicContact CB-CG 3.82Å |
| 258 | I | 96.8 | Very high | 96.9 | Very high | 54 Ų | 54 | 46 Ų | 46 | 28% | 0.277 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -74.3 | -35.7 | 177.9 | -171.3 | 62.9 | 0 | 0 | 0 | 111.8 | S256 A261 T262 A291 | S256-I258 PolarHBondContact O-N 3.45Å; S256-I258 WeakPolarHBondContact OG-CG2 3.39Å; I258-A261 PolarHBondContact O-N 3.01Å; I258-T262 PolarHBondContact O-N 3.38Å; I258-T262 PolarHBondContact O-OG1 3.28Å; I258-A291 HydrophobicContact CD1-CB 3.92Å |
| 259 | N | 97.4 | Very high | 96.7 | Very high | 66 Ų | 66 | 39.1 Ų | 39.1 | 35% | 0.353 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.8 | -46.4 | 174.5 | -66.1 | -2 | 0 | 0 | 0 | 110.5 | M255 S256 T262 M263 | M255-N259 HydrophobicContact CE-CB 3.75Å; S256-N259 WeakPolarHBondContact O-CB 3.5Å; S256-N259 PolarHBondContact O-N 3.4Å; S256-N259 VanDerWaalsContact O-N 3.12Å; S256-N259 PolarHBondContact OG-N 3.2Å; S256-N259 PolarHBondContact OG-ND2 2.88Å; S256-N259 PolarHBondContact OG-OD1 3.49Å; N259-T262 PolarHBondContact O-N 2.92Å; N259-M263 PolarHBondContact O-N 3.1Å |
| 260 | L | 98.4 | Very high | 96.3 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.3 | -45.9 | 175.8 | -67.1 | 170.8 | 0 | 0 | 0 | 111.1 | F135 L243 T246 A247 M255 S256 T262 M263 F264 I294 | F135-L260 HydrophobicContact CB-CD2 4.33Å; F135-L260 HydrophobicContact CD2-CD2 3.68Å; F135-L260 HydrophobicContact CE2-CD2 4.49Å; F135-L260 HydrophobicContact CG-CD2 4.38Å; L243-L260 HydrophobicContact CB-CD1 4.44Å; L243-L260 HydrophobicContact CD2-CD1 4.36Å; L243-L260 HydrophobicContact CD2-CD2 4.18Å; L243-L260 WeakPolarHBondContact O-CD1 3.5Å; T246-L260 HydrophobicContact CG2-CD1 3.93Å; T246-L260 HydrophobicContact CG2-CD2 4.09Å; A247-L260 HydrophobicContact CB-CD1 4.01Å; M255-L260 HydrophobicContact CB-CD2 4.12Å; M255-L260 HydrophobicContact CB-CG 4.23Å; M255-L260 HydrophobicContact CE-CD2 3.8Å; M255-L260 HydrophobicContact CE-CG 4.26Å; S256-L260 WeakPolarHBondContact O-CG 3.38Å; S256-L260 PolarHBondContact O-N 2.99Å; L260-T262 VanDerWaalsContact C-N 3.3Å; L260-T262 PolarHBondContact O-N 2.91Å; L260-M263 HydrophobicContact CD2-CE 4.3Å; L260-M263 PolarHBondContact O-N 3.22Å; L260-M263 VanDerWaalsContact O-N 3.07Å; L260-F264 WeakPolarHBondContact O-CD2 3.31Å; L260-F264 PolarHBondContact O-N 3.03Å; L260-I294 HydrophobicContact CB-CD1 3.89Å |
| 261 | A | 97.3 | Very high | 95.6 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -58.4 | -41.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A257 I258 M263 F264 A265 N287 V290 A291 I294 | A257-A261 VanDerWaalsContact O-CB 3.24Å; A257-A261 WeakPolarHBondContact O-CB 3.31Å; A257-A261 PolarHBondContact O-N 3.2Å; I258-A261 PolarHBondContact O-N 3.01Å; A261-M263 PolarHBondContact O-N 2.9Å; A261-F264 PolarHBondContact O-N 3.05Å; A261-A265 VanDerWaalsContact O-CB 3.25Å; A261-A265 WeakPolarHBondContact O-CB 3.45Å; A261-A265 PolarHBondContact O-N 2.88Å; A261-N287 VanDerWaalsContact CB-O 3.26Å; A261-N287 WeakPolarHBondContact CB-O 3.38Å; A261-V290 HydrophobicContact CB-CB 3.9Å; A261-V290 HydrophobicContact CB-CG1 3.77Å; A261-A291 HydrophobicContact CB-CB 3.69Å; A261-A291 VanDerWaalsContact CB-N 3.31Å; A261-I294 HydrophobicContact CB-CD1 4.19Å |
| 262 | T | 95.7 | Very high | 94.7 | Very high | 69 Ų | 69 | 31 Ų | 31 | 42% | 0.423 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -61.1 | -33.8 | 178 | -57.4 | 0 | 0 | 0 | 0 | 111.9 | I258 N259 L260 P266 | I258-T262 PolarHBondContact O-N 3.38Å; I258-T262 PolarHBondContact O-OG1 3.28Å; N259-T262 PolarHBondContact O-N 2.92Å; L260-T262 VanDerWaalsContact C-N 3.3Å; L260-T262 PolarHBondContact O-N 2.91Å; T262-P266 WeakPolarHBondContact O-CD 3.49Å |
| 263 | M | 96.5 | Very high | 93.4 | Very high | 37 Ų | 37 | 33.7 Ų | 33.7 | 18% | 0.182 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -83.4 | -31.7 | 178.3 | -64.3 | -166 | -57.8 | 0 | 0 | 113.4 | F135 R136 M255 N259 L260 A261 H267 | F135-M263 HydrophobicContact CB-CE 3.47Å; F135-M263 VanDerWaalsContact CB-CE 3.47Å; F135-M263 WeakPolarHBondContact O-CE 3.2Å; R136-M263 WeakPolarHBondContact CA-SD 3.32Å; R136-M263 HydrophobicContact CB-CE 3.96Å; R136-M263 HydrophobicContact CB-SD 3.74Å; R136-M263 HydrophobicContact CG-SD 4.22Å; M255-M263 HydrophobicContact CE-CE 3.22Å; M255-M263 HydrophobicContact CE-SD 4.44Å; N259-M263 PolarHBondContact O-N 3.1Å; L260-M263 HydrophobicContact CD2-CE 4.3Å; L260-M263 PolarHBondContact O-N 3.22Å; L260-M263 VanDerWaalsContact O-N 3.07Å; A261-M263 PolarHBondContact O-N 2.9Å; M263-H267 PolarHBondContact O-CD2 3.5Å |
| 264 | F | 97.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -91.1 | -28.8 | -176.3 | -85 | -88.3 | 0 | 0 | 0 | 113.9 | F135 K174 L177 L239 L243 L260 A261 P266 H267 I268 | F135-F264 HydrophobicContact CB-CE2 3.98Å; F135-F264 AromaticContact CD1-CE2 3.71Å; F135-F264 HydrophobicContact CD1-CE2 3.71Å; F135-F264 AromaticContact CD1-CZ 3.49Å; F135-F264 HydrophobicContact CD1-CZ 3.49Å; F135-F264 VanDerWaalsContact CD1-CZ 3.49Å; F135-F264 HydrophobicContact CD2-CE2 4.14Å; F135-F264 HydrophobicContact CE1-CE2 4.23Å; F135-F264 AromaticContact CE1-CZ 3.7Å; F135-F264 HydrophobicContact CE1-CZ 3.7Å; F135-F264 AromaticContact CG-CE2 3.67Å; F135-F264 HydrophobicContact CG-CE2 3.67Å; F135-F264 AromaticContact CG-CZ 3.97Å; F135-F264 HydrophobicContact CG-CZ 3.97Å; F135-F264 HydrophobicContact CZ-CZ 4.28Å; K174-F264 HydrophobicContact CD-CZ 4.46Å; K174-F264 HydrophobicContact CG-CE1 3.95Å; K174-F264 HydrophobicContact CG-CE2 4.33Å; K174-F264 HydrophobicContact CG-CZ 3.8Å; L177-F264 HydrophobicContact CD1-CD1 3.96Å; L177-F264 HydrophobicContact CD1-CE1 3.76Å; L239-F264 HydrophobicContact CD1-CD1 4.21Å; L239-F264 HydrophobicContact CD1-CE1 3.69Å; L239-F264 HydrophobicContact CD1-CZ 4.31Å; L239-F264 HydrophobicContact CD2-CD1 4.34Å; L243-F264 HydrophobicContact CD1-CB 4.44Å; L243-F264 HydrophobicContact CD1-CD1 4.22Å; L243-F264 HydrophobicContact CD1-CD2 3.98Å; L243-F264 HydrophobicContact CD1-CE2 4.29Å; L243-F264 HydrophobicContact CD1-CG 3.94Å; L243-F264 HydrophobicContact CD2-CD2 3.81Å; L243-F264 HydrophobicContact CD2-CE1 4.46Å; L243-F264 HydrophobicContact CD2-CE2 3.39Å; L243-F264 HydrophobicContact CD2-CZ 3.75Å; L243-F264 HydrophobicContact CG-CE2 4.46Å; L260-F264 WeakPolarHBondContact O-CD2 3.31Å; L260-F264 PolarHBondContact O-N 3.03Å; A261-F264 PolarHBondContact O-N 3.05Å; F264-P266 VanDerWaalsContact C-CD 3.48Å; F264-P266 VanDerWaalsContact C-N 3.35Å; F264-H267 WeakPolarHBondContact O-CA 3.49Å; F264-H267 PolarHBondContact O-N 2.91Å; F264-I268 HydrophobicContact CB-CD1 4.41Å; F264-I268 HydrophobicContact CD1-CG2 4.41Å; F264-I268 WeakPolarHBondContact O-CG1 3.22Å; F264-I268 PolarHBondContact O-N 3.01Å |
| 265 | A | 95.6 | Very high | 90.8 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -53.1 | -44.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A261 H267 I268 I269 W270 N287 V290 | A261-A265 VanDerWaalsContact O-CB 3.25Å; A261-A265 WeakPolarHBondContact O-CB 3.45Å; A261-A265 PolarHBondContact O-N 2.88Å; A265-H267 PolarHBondContact O-N 2.95Å; A265-H267 VanDerWaalsContact O-N 3.09Å; A265-I268 PolarHBondContact O-N 2.81Å; A265-I269 HydrophobicContact CB-CG2 4.02Å; A265-I269 VanDerWaalsContact O-CG2 3.31Å; A265-I269 WeakPolarHBondContact O-CG2 3.43Å; A265-I269 PolarHBondContact O-N 3.05Å; A265-I269 VanDerWaalsContact O-N 3.12Å; A265-W270 VanDerWaalsContact O-CD1 3.27Å; A265-W270 PolarHBondContact O-N 3.09Å; A265-N287 VanDerWaalsContact CB-OD1 3.23Å; A265-N287 WeakPolarHBondContact CB-OD1 3.33Å; A265-V290 HydrophobicContact CB-CB 4.46Å; A265-V290 HydrophobicContact CB-CG2 3.94Å |
| 266 | P | 93.1 | Very high | 89.6 | Confident | 44 Ų | 44 | 35.4 Ų | 35.4 | 29% | 0.286 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -57.7 | -26.7 | 175.1 | -24.2 | 34.3 | 0 | 0 | 0 | 114.8 | T262 F264 W270 | T262-P266 WeakPolarHBondContact O-CD 3.49Å; F264-P266 VanDerWaalsContact C-CD 3.48Å; F264-P266 VanDerWaalsContact C-N 3.35Å; P266-W270 HydrophobicContact CB-CD2 3.99Å; P266-W270 HydrophobicContact CB-CE3 3.91Å; P266-W270 HydrophobicContact CB-CH2 4.37Å; P266-W270 HydrophobicContact CB-CZ2 4.44Å; P266-W270 HydrophobicContact CB-CZ3 4.11Å; P266-W270 HydrophobicContact CG-CD2 4.23Å; P266-W270 HydrophobicContact CG-CE3 4.32Å; P266-W270 HydrophobicContact CG-CH2 3.93Å; P266-W270 HydrophobicContact CG-CZ2 3.82Å; P266-W270 HydrophobicContact CG-CZ3 4.17Å |
| 267 | H | 94.6 | Very high | 88.4 | Confident | 49 Ų | 49 | 38.2 Ų | 38.2 | 23% | 0.227 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -95.9 | -27.6 | -175.2 | -57.9 | -59.4 | 0 | 0 | 0 | 113.3 | L177 M263 F264 A265 | L177-H267 HydrophobicContact CB-CB 3.96Å; M263-H267 PolarHBondContact O-CD2 3.5Å; F264-H267 WeakPolarHBondContact O-CA 3.49Å; F264-H267 PolarHBondContact O-N 2.91Å; A265-H267 PolarHBondContact O-N 2.95Å; A265-H267 VanDerWaalsContact O-N 3.09Å |
| 268 | I | 96.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -109.1 | -26.3 | -171.6 | 71.7 | 179.4 | 0 | 0 | 0 | 114.9 | L177 P183 L184 L185 L239 F264 A265 V290 | L177-I268 HydrophobicContact CD1-CG2 4.06Å; P183-I268 WeakPolarHBondContact CB-O 3.45Å; L184-I268 HydrophobicContact CB-CB 4.27Å; L184-I268 HydrophobicContact CB-CG2 4.48Å; L184-I268 HydrophobicContact CD2-CG2 4.47Å; L184-I268 PolarHBondContact N-O 3.24Å; L185-I268 VanDerWaalsContact CB-O 3.3Å; L185-I268 WeakPolarHBondContact CB-O 3.38Å; L185-I268 HydrophobicContact CD1-CD1 4.26Å; L185-I268 HydrophobicContact CD1-CG1 4.16Å; L185-I268 PolarHBondContact N-O 2.91Å; L239-I268 HydrophobicContact CD2-CG2 3.87Å; F264-I268 HydrophobicContact CB-CD1 4.41Å; F264-I268 HydrophobicContact CD1-CG2 4.41Å; F264-I268 WeakPolarHBondContact O-CG1 3.22Å; F264-I268 PolarHBondContact O-N 3.01Å; A265-I268 PolarHBondContact O-N 2.81Å; I268-V290 HydrophobicContact CD1-CG1 3.84Å; I268-V290 HydrophobicContact CD1-CG2 3.97Å; I268-V290 HydrophobicContact CG1-CG2 4.31Å |
| 269 | I | 93.9 | Very high | 86.3 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 4% | 0.036 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -127.9 | -26.5 | -172.6 | -166.1 | 169.5 | 0 | 0 | 0 | 114.4 | L185 H193 A265 P271 L286 V290 | L185-I269 HydrophobicContact CB-CG1 4.48Å; L185-I269 HydrophobicContact CD1-CB 3.95Å; L185-I269 HydrophobicContact CD1-CD1 4.16Å; L185-I269 HydrophobicContact CD1-CG1 4.19Å; H193-I269 HydrophobicContact CB-CD1 3.47Å; H193-I269 VanDerWaalsContact CB-CD1 3.47Å; H193-I269 HydrophobicContact CB-CG1 4.47Å; H193-I269 VanDerWaalsContact CG-CD1 3.49Å; A265-I269 HydrophobicContact CB-CG2 4.02Å; A265-I269 VanDerWaalsContact O-CG2 3.31Å; A265-I269 WeakPolarHBondContact O-CG2 3.43Å; A265-I269 PolarHBondContact O-N 3.05Å; A265-I269 VanDerWaalsContact O-N 3.12Å; I269-P271 WeakPolarHBondContact O-CD 3.39Å; I269-L286 HydrophobicContact CD1-CD2 3.6Å; I269-L286 HydrophobicContact CG1-CD2 4Å; I269-L286 HydrophobicContact CG2-CB 4.27Å; I269-L286 HydrophobicContact CG2-CD2 4.18Å; I269-V290 HydrophobicContact CG2-CG2 4.09Å |
| 270 | W | 88.4 | Confident | 85.1 | Confident | 41 Ų | 41 | 42.2 Ų | 42.2 | 16% | 0.155 | 24% | 0.235 | C | C | . | . | S | Bend | trans | -64.8 | 131.6 | -178.3 | -71.7 | 17.8 | 0 | 0 | 0 | 110.7 | P183 A265 P266 K272 A276 L279 I283 | P183-W270 WeakPolarHBondContact CG-O 3.47Å; A265-W270 VanDerWaalsContact O-CD1 3.27Å; A265-W270 PolarHBondContact O-N 3.09Å; P266-W270 HydrophobicContact CB-CD2 3.99Å; P266-W270 HydrophobicContact CB-CE3 3.91Å; P266-W270 HydrophobicContact CB-CH2 4.37Å; P266-W270 HydrophobicContact CB-CZ2 4.44Å; P266-W270 HydrophobicContact CB-CZ3 4.11Å; P266-W270 HydrophobicContact CG-CD2 4.23Å; P266-W270 HydrophobicContact CG-CE3 4.32Å; P266-W270 HydrophobicContact CG-CH2 3.93Å; P266-W270 HydrophobicContact CG-CZ2 3.82Å; P266-W270 HydrophobicContact CG-CZ3 4.17Å; W270-K272 PolarHBondContact O-N 3.35Å; W270-A276 HydrophobicContact CH2-CB 4.36Å; W270-A276 HydrophobicContact CZ3-CB 4.41Å; W270-L279 HydrophobicContact CB-CD1 4.13Å; W270-L279 HydrophobicContact CD2-CD1 3.45Å; W270-L279 VanDerWaalsContact CD2-CD1 3.45Å; W270-L279 HydrophobicContact CE3-CD1 3.75Å; W270-L279 HydrophobicContact CG-CD1 3.62Å; W270-L279 HydrophobicContact CZ3-CD1 4.4Å; W270-I283 HydrophobicContact CH2-CD1 4.41Å; W270-I283 HydrophobicContact CH2-CG1 4.36Å; W270-I283 HydrophobicContact CZ2-CD1 4.47Å; W270-I283 HydrophobicContact CZ2-CG1 3.97Å; W270-I283 HydrophobicContact CZ2-CG2 4.16Å |
| 271 | P | 82.8 | Confident | 84.2 | Confident | 4 Ų | 4 | 45 Ų | 45 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | P | Polyproline II helix | trans | -53.4 | 133.5 | 168.9 | -32.1 | 40.2 | 0 | 0 | 0 | 112.3 | V84 Y190 I269 V274 | V84-P271 HydrophobicContact CB-CB 3.62Å; V84-P271 HydrophobicContact CB-CG 3.95Å; V84-P271 HydrophobicContact CG1-CB 3.5Å; V84-P271 VanDerWaalsContact CG1-CB 3.5Å; V84-P271 HydrophobicContact CG1-CG 3.56Å; V84-P271 HydrophobicContact CG2-CB 4.06Å; Y190-P271 HydrophobicContact CD1-CG 4.37Å; Y190-P271 HydrophobicContact CD2-CG 3.59Å; Y190-P271 VanDerWaalsContact CE2-CD 3.49Å; Y190-P271 HydrophobicContact CE2-CG 3.8Å; Y190-P271 HydrophobicContact CG-CG 3.9Å; I269-P271 WeakPolarHBondContact O-CD 3.39Å; P271-V274 HydrophobicContact CB-CB 4.13Å; P271-V274 HydrophobicContact CB-CG2 3.6Å; P271-V274 WeakPolarHBondContact O-CB 3.22Å; P271-V274 PolarHBondContact O-N 3.26Å |
| 272 | K | 77 | Confident | 83.7 | Confident | 44 Ų | 44 | 47 Ų | 47 | 19% | 0.191 | 28% | 0.275 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | 146 | 171.2 | -56.4 | -62.9 | -178.4 | 174.9 | 0 | 110.9 | G178 L180 P183 H187 W270 V274 | G178-K272 PolarHBondContact O-NZ 3.43Å; L180-K272 WeakPolarHBondContact O-CE 3.16Å; L180-K272 PolarHBondContact O-NZ 2.86Å; P183-K272 HydrophobicContact CG-CD 4.47Å; P183-K272 HydrophobicContact CG-CG 4.29Å; H187-K272 VanDerWaalsContact CE1-CG 3.5Å; H187-K272 WeakPolarHBondContact CE1-CG 3.49Å; H187-K272 PolarHBondContact NE2-N 3.12Å; W270-K272 PolarHBondContact O-N 3.35Å; K272-V274 PolarHBondContact O-N 3.04Å |
| 273 | N | 69.9 | Low | 83.4 | Confident | 154 Ų | 154 | 46 Ų | 46 | 82% | 0.824 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | 12.5 | -178.4 | -48 | -50.3 | 0 | 0 | 0 | 115.4 | ||
| 274 | V | 72 | Confident | 83 | Confident | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.091 | 29% | 0.289 | C | S | . | . | trans | -104.8 | 128.6 | 174.2 | -177.2 | 0 | 0 | 0 | 0 | 108.1 | V84 P85 P271 K272 D278 L279 | V84-V274 HydrophobicContact CB-CG2 4.14Å; V84-V274 HydrophobicContact CG2-CG2 4.05Å; P85-V274 HydrophobicContact CG-CG1 3.98Å; P85-V274 WeakPolarHBondContact O-CG2 3.41Å; P271-V274 HydrophobicContact CB-CB 4.13Å; P271-V274 HydrophobicContact CB-CG2 3.6Å; P271-V274 WeakPolarHBondContact O-CB 3.22Å; P271-V274 PolarHBondContact O-N 3.26Å; K272-V274 PolarHBondContact O-N 3.04Å; V274-D278 HydrophobicContact CG1-CB 3.4Å; V274-D278 VanDerWaalsContact CG1-CB 3.4Å; V274-L279 HydrophobicContact CG1-CD1 4.12Å; V274-L279 HydrophobicContact CG1-CD2 3.75Å; V274-L279 HydrophobicContact CG1-CG 3.54Å | ||
| 275 | T | 70.4 | Confident | 82.6 | Confident | 72 Ų | 72 | 54.8 Ų | 54.8 | 44% | 0.442 | 31% | 0.306 | S | S | . | . | trans | -90.2 | 166.9 | 179.6 | 63.1 | 0 | 0 | 0 | 0 | 111.3 | S277 D278 L279 | T275-S277 PolarHBondContact O-N 3.02Å; T275-S277 PolarHBondContact OG1-OG 3.44Å; T275-D278 WeakPolarHBondContact CB-OD2 3.16Å; T275-D278 PolarHBondContact N-OD2 3.06Å; T275-D278 WeakPolarHBondContact O-CB 3.5Å; T275-D278 PolarHBondContact O-N 3.34Å; T275-D278 VanDerWaalsContact OG1-CG 3.24Å; T275-D278 PolarHBondContact OG1-OD2 3.17Å; T275-L279 PolarHBondContact O-N 3.1Å | ||
| 276 | A | 73.1 | Confident | 82.4 | Confident | 55 Ų | 55 | 55 Ų | 55 | 46% | 0.455 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -31.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | W270 L279 Q280 I283 | W270-A276 HydrophobicContact CH2-CB 4.36Å; W270-A276 HydrophobicContact CZ3-CB 4.41Å; A276-L279 PolarHBondContact O-N 3.25Å; A276-Q280 PolarHBondContact O-N 3.45Å; A276-I283 HydrophobicContact CB-CD1 4.03Å; A276-I283 WeakPolarHBondContact O-CD1 3.2Å |
| 277 | S | 72.3 | Confident | 82.4 | Confident | 82 Ų | 82 | 53.7 Ų | 53.7 | 57% | 0.573 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68 | -33.7 | 174.3 | 39.9 | 0 | 0 | 0 | 0 | 113 | T275 L279 Q280 | T275-S277 PolarHBondContact O-N 3.02Å; T275-S277 PolarHBondContact OG1-OG 3.44Å; S277-L279 VanDerWaalsContact C-N 3.3Å; S277-Q280 WeakPolarHBondContact O-CB 3.44Å; S277-Q280 PolarHBondContact O-N 2.84Å |
| 278 | D | 72.3 | Confident | 82.3 | Confident | 49 Ų | 49 | 55.1 Ų | 55.1 | 26% | 0.262 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -21.8 | 179 | -56.5 | -47.1 | 0 | 0 | 0 | 112.1 | V274 T275 | V274-D278 HydrophobicContact CG1-CB 3.4Å; V274-D278 VanDerWaalsContact CG1-CB 3.4Å; T275-D278 WeakPolarHBondContact CB-OD2 3.16Å; T275-D278 PolarHBondContact N-OD2 3.06Å; T275-D278 WeakPolarHBondContact O-CB 3.5Å; T275-D278 PolarHBondContact O-N 3.34Å; T275-D278 VanDerWaalsContact OG1-CG 3.24Å; T275-D278 PolarHBondContact OG1-OD2 3.17Å |
| 279 | L | 78.4 | Confident | 82.2 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.313 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.3 | 11.9 | 176.8 | -65.5 | 174 | 0 | 0 | 0 | 113.4 | P85 Y190 W270 V274 T275 A276 S277 G281 N282 I283 L286 | P85-L279 HydrophobicContact CG-CD2 4.23Å; Y190-L279 HydrophobicContact CE2-CD2 4.3Å; Y190-L279 WeakPolarHBondContact OH-CD2 3.5Å; W270-L279 HydrophobicContact CB-CD1 4.13Å; W270-L279 HydrophobicContact CD2-CD1 3.45Å; W270-L279 VanDerWaalsContact CD2-CD1 3.45Å; W270-L279 HydrophobicContact CE3-CD1 3.75Å; W270-L279 HydrophobicContact CG-CD1 3.62Å; W270-L279 HydrophobicContact CZ3-CD1 4.4Å; V274-L279 HydrophobicContact CG1-CD1 4.12Å; V274-L279 HydrophobicContact CG1-CD2 3.75Å; V274-L279 HydrophobicContact CG1-CG 3.54Å; T275-L279 PolarHBondContact O-N 3.1Å; A276-L279 PolarHBondContact O-N 3.25Å; S277-L279 VanDerWaalsContact C-N 3.3Å; L279-G281 PolarHBondContact O-N 2.71Å; L279-N282 WeakPolarHBondContact O-CA 3.35Å; L279-N282 PolarHBondContact O-N 3.16Å; L279-I283 HydrophobicContact CB-CD1 4.36Å; L279-I283 HydrophobicContact CB-CG1 3.81Å; L279-I283 PolarHBondContact O-N 2.9Å; L279-L286 HydrophobicContact CD1-CD1 4.42Å |
| 280 | Q | 71.1 | Confident | 82.3 | Confident | 164 Ų | 164 | 55.3 Ų | 55.3 | 77% | 0.766 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 124.2 | -175.6 | -164.4 | 163.2 | 15.7 | 0 | 0 | 110.6 | A276 S277 | A276-Q280 PolarHBondContact O-N 3.45Å; S277-Q280 WeakPolarHBondContact O-CB 3.44Å; S277-Q280 PolarHBondContact O-N 2.84Å |
| 281 | G | 79.5 | Confident | 82.7 | Confident | 59 Ų | 59 | 53.4 Ų | 53.4 | 61% | 0.608 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.9 | -18.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | L279 | L279-G281 PolarHBondContact O-N 2.71Š|
| 282 | N | 87.1 | Confident | 83.3 | Confident | 43 Ų | 43 | 54.3 Ų | 54.3 | 23% | 0.23 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100 | -22.4 | 175 | -72 | -32.2 | 0 | 0 | 0 | 113.3 | L194 L279 E284 K285 L286 | L194-N282 HydrophobicContact CD2-CB 4.08Å; L279-N282 WeakPolarHBondContact O-CA 3.35Å; L279-N282 PolarHBondContact O-N 3.16Å; N282-E284 VanDerWaalsContact C-N 3.29Å; N282-E284 PolarHBondContact O-N 3.34Å; N282-K285 WeakPolarHBondContact O-CB 3.24Å; N282-K285 PolarHBondContact O-N 3.45Å; N282-K285 VanDerWaalsContact O-N 3.09Å; N282-L286 WeakPolarHBondContact O-CG 3.48Å; N282-L286 PolarHBondContact O-N 3.46Å |
| 283 | I | 89 | Confident | 84.3 | Confident | 48 Ų | 48 | 52.2 Ų | 52.2 | 25% | 0.246 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -52.3 | -47.7 | 179.9 | -68.5 | 167.2 | 0 | 0 | 0 | 111.7 | W270 A276 L279 K285 L286 N287 | W270-I283 HydrophobicContact CH2-CD1 4.41Å; W270-I283 HydrophobicContact CH2-CG1 4.36Å; W270-I283 HydrophobicContact CZ2-CD1 4.47Å; W270-I283 HydrophobicContact CZ2-CG1 3.97Å; W270-I283 HydrophobicContact CZ2-CG2 4.16Å; A276-I283 HydrophobicContact CB-CD1 4.03Å; A276-I283 WeakPolarHBondContact O-CD1 3.2Å; L279-I283 HydrophobicContact CB-CD1 4.36Å; L279-I283 HydrophobicContact CB-CG1 3.81Å; L279-I283 PolarHBondContact O-N 2.9Å; I283-K285 PolarHBondContact O-N 3.05Å; I283-L286 PolarHBondContact O-N 3.34Å; I283-N287 WeakPolarHBondContact O-CB 3.41Å; I283-N287 PolarHBondContact O-N 3.4Å; I283-N287 PolarHBondContact O-OD1 3.45Å |
| 284 | E | 88.4 | Confident | 85.6 | Confident | 141 Ų | 141 | 44.9 Ų | 44.9 | 66% | 0.659 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.4 | -42.6 | -179.5 | -167.9 | -174.3 | 165.7 | 0 | 0 | 111.5 | N282 L286 N287 N288 | N282-E284 VanDerWaalsContact C-N 3.29Å; N282-E284 PolarHBondContact O-N 3.34Å; E284-L286 PolarHBondContact O-N 2.95Å; E284-N287 PolarHBondContact O-N 2.73Å; E284-N288 VanDerWaalsContact O-CB 3.27Å; E284-N288 WeakPolarHBondContact O-CB 3.48Å; E284-N288 VanDerWaalsContact O-CG 3.24Å; E284-N288 PolarHBondContact O-N 2.88Å; E284-N288 PolarHBondContact O-ND2 3.29Å |
| 285 | K | 89.4 | Confident | 86.8 | Confident | 79 Ų | 79 | 51.4 Ų | 51.4 | 34% | 0.343 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 176 | -60.7 | -178.1 | -177.7 | 178.3 | 0 | 111.5 | L194 E198 N282 I283 G289 | L194-K285 HydrophobicContact CD2-CB 4.11Å; L194-K285 HydrophobicContact CD2-CD 4.45Å; E198-K285 IonicContact OE1-NZ 2.71Å; E198-K285 PolarHBondContact OE1-NZ 3.42Å; N282-K285 WeakPolarHBondContact O-CB 3.24Å; N282-K285 PolarHBondContact O-N 3.45Å; N282-K285 VanDerWaalsContact O-N 3.09Å; I283-K285 PolarHBondContact O-N 3.05Å; K285-G289 PolarHBondContact O-N 3.27Å |
| 286 | L | 91.6 | Very high | 88 | Confident | 4 Ų | 4 | 50 Ų | 50 | 2% | 0.021 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 178.6 | -65.7 | 170 | 0 | 0 | 0 | 111.3 | Y190 L194 I269 L279 N282 I283 E284 G289 V290 | Y190-L286 HydrophobicContact CD2-CD2 4.42Å; Y190-L286 HydrophobicContact CE2-CD1 3.85Å; Y190-L286 HydrophobicContact CE2-CD2 3.91Å; Y190-L286 HydrophobicContact CE2-CG 4.48Å; L194-L286 HydrophobicContact CD2-CD2 3.6Å; L194-L286 HydrophobicContact CD2-CG 3.85Å; L194-L286 HydrophobicContact CG-CD2 4.26Å; I269-L286 HydrophobicContact CD1-CD2 3.6Å; I269-L286 HydrophobicContact CG1-CD2 4Å; I269-L286 HydrophobicContact CG2-CB 4.27Å; I269-L286 HydrophobicContact CG2-CD2 4.18Å; L279-L286 HydrophobicContact CD1-CD1 4.42Å; N282-L286 WeakPolarHBondContact O-CG 3.48Å; N282-L286 PolarHBondContact O-N 3.46Å; I283-L286 PolarHBondContact O-N 3.34Å; E284-L286 PolarHBondContact O-N 2.95Å; L286-G289 PolarHBondContact O-N 2.89Å; L286-V290 WeakPolarHBondContact O-CG2 3.35Å; L286-V290 PolarHBondContact O-N 3.25Å |
| 287 | N | 93.3 | Very high | 89.1 | Confident | 17 Ų | 17 | 47.7 Ų | 47.7 | 9% | 0.091 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 177.6 | -69.7 | -1 | 0 | 0 | 0 | 111.1 | A261 A265 I283 E284 G289 V290 A291 | A261-N287 VanDerWaalsContact CB-O 3.26Å; A261-N287 WeakPolarHBondContact CB-O 3.38Å; A265-N287 VanDerWaalsContact CB-OD1 3.23Å; A265-N287 WeakPolarHBondContact CB-OD1 3.33Å; I283-N287 WeakPolarHBondContact O-CB 3.41Å; I283-N287 PolarHBondContact O-N 3.4Å; I283-N287 PolarHBondContact O-OD1 3.45Å; E284-N287 PolarHBondContact O-N 2.73Å; N287-G289 VanDerWaalsContact C-N 3.34Å; N287-V290 PolarHBondContact O-N 3.41Å; N287-A291 WeakPolarHBondContact O-CB 3.38Å; N287-A291 PolarHBondContact O-N 3.4Å |
| 288 | N | 92.3 | Very high | 90.1 | Very high | 79 Ų | 79 | 48 Ų | 48 | 42% | 0.422 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.8 | -39.5 | 175.5 | -73.9 | -25.7 | 0 | 0 | 0 | 111.7 | E284 A291 F292 | E284-N288 VanDerWaalsContact O-CB 3.27Å; E284-N288 WeakPolarHBondContact O-CB 3.48Å; E284-N288 VanDerWaalsContact O-CG 3.24Å; E284-N288 PolarHBondContact O-N 2.88Å; E284-N288 PolarHBondContact O-ND2 3.29Å; N288-A291 PolarHBondContact O-N 3.15Å; N288-F292 WeakPolarHBondContact O-CB 3.4Å; N288-F292 PolarHBondContact O-N 3.33Å |
| 289 | G | 93.4 | Very high | 91.1 | Very high | 12 Ų | 12 | 51.2 Ų | 51.2 | 12% | 0.124 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.1 | -52.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | K285 L286 N287 A291 F292 L293 | K285-G289 PolarHBondContact O-N 3.27Å; L286-G289 PolarHBondContact O-N 2.89Å; N287-G289 VanDerWaalsContact C-N 3.34Å; G289-A291 VanDerWaalsContact C-N 3.32Å; G289-A291 PolarHBondContact O-N 3.02Å; G289-F292 WeakPolarHBondContact O-CA 3.38Å; G289-F292 VanDerWaalsContact O-CB 3.29Å; G289-F292 WeakPolarHBondContact O-CB 3.35Å; G289-F292 PolarHBondContact O-N 3.01Å; G289-F292 VanDerWaalsContact O-N 3.11Å; G289-L293 WeakPolarHBondContact O-CG 3.38Å; G289-L293 PolarHBondContact O-N 3.44Å |
| 290 | V | 96.5 | Very high | 92 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63 | -37.4 | 177.2 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | A261 A265 I268 I269 L286 N287 F292 L293 I294 | A261-V290 HydrophobicContact CB-CB 3.9Å; A261-V290 HydrophobicContact CB-CG1 3.77Å; A265-V290 HydrophobicContact CB-CB 4.46Å; A265-V290 HydrophobicContact CB-CG2 3.94Å; I268-V290 HydrophobicContact CD1-CG1 3.84Å; I268-V290 HydrophobicContact CD1-CG2 3.97Å; I268-V290 HydrophobicContact CG1-CG2 4.31Å; I269-V290 HydrophobicContact CG2-CG2 4.09Å; L286-V290 WeakPolarHBondContact O-CG2 3.35Å; L286-V290 PolarHBondContact O-N 3.25Å; N287-V290 PolarHBondContact O-N 3.41Å; V290-F292 VanDerWaalsContact C-N 3.3Å; V290-F292 PolarHBondContact O-N 3.11Å; V290-L293 WeakPolarHBondContact O-CB 3.4Å; V290-L293 PolarHBondContact O-N 3.46Å; V290-L293 VanDerWaalsContact O-N 3.17Å; V290-I294 HydrophobicContact CG1-CD1 4.09Å; V290-I294 HydrophobicContact CG1-CG1 4.48Å; V290-I294 WeakPolarHBondContact O-CG1 3.4Å; V290-I294 PolarHBondContact O-N 3.3Å |
| 291 | A | 96.4 | Very high | 93.1 | Very high | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.008 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.2 | -38.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I258 A261 N287 N288 G289 I294 R295 | I258-A291 HydrophobicContact CD1-CB 3.92Å; A261-A291 HydrophobicContact CB-CB 3.69Å; A261-A291 VanDerWaalsContact CB-N 3.31Å; N287-A291 WeakPolarHBondContact O-CB 3.38Å; N287-A291 PolarHBondContact O-N 3.4Å; N288-A291 PolarHBondContact O-N 3.15Å; G289-A291 VanDerWaalsContact C-N 3.32Å; G289-A291 PolarHBondContact O-N 3.02Å; A291-I294 PolarHBondContact O-N 3Å; A291-R295 VanDerWaalsContact O-CG 3.27Å; A291-R295 WeakPolarHBondContact O-CG 3.34Å; A291-R295 PolarHBondContact O-N 3.3Å |
| 292 | F | 96 | Very high | 93.7 | Very high | 22 Ų | 22 | 47.5 Ų | 47.5 | 10% | 0.096 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.5 | -45.3 | 171.8 | -175.4 | -85.6 | 0 | 0 | 0 | 111.2 | K214 Q217 I218 F221 N288 G289 V290 I294 R295 H296 | K214-F292 HydrophobicContact CB-CE2 4.41Å; K214-F292 HydrophobicContact CG-CE2 4.32Å; Q217-F292 HydrophobicContact CB-CE1 3.83Å; Q217-F292 HydrophobicContact CB-CE2 4.15Å; Q217-F292 HydrophobicContact CB-CZ 3.49Å; Q217-F292 VanDerWaalsContact CB-CZ 3.49Å; I218-F292 HydrophobicContact CG1-CE1 4.05Å; I218-F292 HydrophobicContact CG1-CZ 3.88Å; F221-F292 AromaticContact CD2-CD1 3.88Å; F221-F292 HydrophobicContact CD2-CD1 3.88Å; F221-F292 AromaticContact CD2-CE1 3.86Å; F221-F292 HydrophobicContact CD2-CE1 3.86Å; F221-F292 AromaticContact CE2-CD1 3.64Å; F221-F292 HydrophobicContact CE2-CD1 3.64Å; F221-F292 HydrophobicContact CE2-CE1 4.01Å; N288-F292 WeakPolarHBondContact O-CB 3.4Å; N288-F292 PolarHBondContact O-N 3.33Å; G289-F292 WeakPolarHBondContact O-CA 3.38Å; G289-F292 VanDerWaalsContact O-CB 3.29Å; G289-F292 WeakPolarHBondContact O-CB 3.35Å; G289-F292 PolarHBondContact O-N 3.01Å; G289-F292 VanDerWaalsContact O-N 3.11Å; V290-F292 VanDerWaalsContact C-N 3.3Å; V290-F292 PolarHBondContact O-N 3.11Å; F292-I294 VanDerWaalsContact C-N 3.32Å; F292-I294 PolarHBondContact O-N 3.4Å; F292-R295 PolarHBondContact O-N 3.5Å; F292-H296 AromaticContact CD1-CD2 3.99Å; F292-H296 AromaticContact CD2-CD2 3.54Å; F292-H296 AromaticContact CD2-NE2 3.96Å; F292-H296 HydrophobicContact CE1-CB 4.38Å; F292-H296 AromaticContact CE1-CD2 3.84Å; F292-H296 AromaticContact CE2-CD2 3.38Å; F292-H296 WeakPolarHBondContact CE2-CD2 3.48Å; F292-H296 AromaticContact CE2-NE2 3.69Å; F292-H296 AromaticContact CG-CD2 3.85Å; F292-H296 AromaticContact CZ-CD2 3.55Å; F292-H296 PolarHBondContact O-CD2 2.89Å; F292-H296 PolarHBondContact O-N 3Å |
| 293 | L | 97.6 | Very high | 94 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -56.8 | -46 | 176.5 | -61.8 | -177.5 | 0 | 0 | 0 | 111.7 | L185 F221 F225 L240 G289 V290 H296 S297 L300 | L185-L293 HydrophobicContact CD1-CD1 4.01Å; F221-L293 HydrophobicContact CB-CD2 4.4Å; F221-L293 HydrophobicContact CD1-CD2 3.76Å; F221-L293 HydrophobicContact CD2-CD2 3.65Å; F221-L293 HydrophobicContact CE1-CD2 3.87Å; F221-L293 HydrophobicContact CE2-CD2 3.71Å; F221-L293 HydrophobicContact CG-CD2 3.67Å; F221-L293 HydrophobicContact CZ-CD2 3.82Å; F225-L293 HydrophobicContact CE1-CD2 4.48Å; F225-L293 HydrophobicContact CZ-CD1 4.21Å; F225-L293 HydrophobicContact CZ-CD2 3.74Å; L240-L293 HydrophobicContact CD1-CB 4.11Å; L240-L293 HydrophobicContact CD2-CB 4.03Å; G289-L293 WeakPolarHBondContact O-CG 3.38Å; G289-L293 PolarHBondContact O-N 3.44Å; V290-L293 WeakPolarHBondContact O-CB 3.4Å; V290-L293 PolarHBondContact O-N 3.46Å; V290-L293 VanDerWaalsContact O-N 3.17Å; L293-H296 PolarHBondContact O-N 3.42Å; L293-S297 WeakPolarHBondContact O-CA 3.29Å; L293-S297 PolarHBondContact O-N 3.11Å; L293-L300 HydrophobicContact CB-CD1 4.19Å; L293-L300 HydrophobicContact CD2-CD1 3.68Å; L293-L300 WeakPolarHBondContact O-CD1 3.33Å |
| 294 | I | 98 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.8 | -47.7 | 178.2 | -66.6 | 167.1 | 0 | 0 | 0 | 110.7 | L240 L243 Y244 A247 A257 L260 A261 V290 A291 F292 H296 | L240-I294 HydrophobicContact CD2-CG1 4.04Å; L243-I294 HydrophobicContact CB-CD1 4.19Å; L243-I294 HydrophobicContact CB-CG1 3.97Å; L243-I294 HydrophobicContact CB-CG2 4.13Å; L243-I294 HydrophobicContact CD1-CD1 4Å; L243-I294 HydrophobicContact CD1-CG1 4.11Å; Y244-I294 WeakPolarHBondContact CD2-O 3.27Å; A247-I294 HydrophobicContact CB-CG2 4.22Å; A257-I294 HydrophobicContact CB-CB 4.4Å; A257-I294 HydrophobicContact CB-CG2 3.97Å; L260-I294 HydrophobicContact CB-CD1 3.89Å; A261-I294 HydrophobicContact CB-CD1 4.19Å; V290-I294 HydrophobicContact CG1-CD1 4.09Å; V290-I294 HydrophobicContact CG1-CG1 4.48Å; V290-I294 WeakPolarHBondContact O-CG1 3.4Å; V290-I294 PolarHBondContact O-N 3.3Å; A291-I294 PolarHBondContact O-N 3Å; F292-I294 VanDerWaalsContact C-N 3.32Å; F292-I294 PolarHBondContact O-N 3.4Å; I294-H296 VanDerWaalsContact C-N 3.28Å; I294-H296 PolarHBondContact O-N 3.43Å |
| 295 | R | 96.6 | Very high | 94.6 | Very high | 151 Ų | 151 | 42.8 Ų | 42.8 | 57% | 0.57 | 21% | 0.205 | S | C | * | . | H | α-helix | trans | -64.7 | -30.8 | -177.4 | -73.6 | 171.1 | -178 | 167.5 | 2.1 | 113.5 | A257 A291 F292 | A257-R295 HydrophobicContact CB-CG 3.82Å; A291-R295 VanDerWaalsContact O-CG 3.27Å; A291-R295 WeakPolarHBondContact O-CG 3.34Å; A291-R295 PolarHBondContact O-N 3.3Å; F292-R295 PolarHBondContact O-N 3.5Å |
| 296 | H | 95.6 | Very high | 94.8 | Very high | 44 Ų | 44 | 42.9 Ų | 42.9 | 20% | 0.204 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -113.5 | 10 | -172.1 | -63.9 | -61 | 0 | 0 | 0 | 114 | I218 F292 L293 I294 Q298 K299 L300 | I218-H296 HydrophobicContact CD1-CB 4.49Å; I218-H296 HydrophobicContact CG1-CB 4.37Å; F292-H296 AromaticContact CD1-CD2 3.99Å; F292-H296 AromaticContact CD2-CD2 3.54Å; F292-H296 AromaticContact CD2-NE2 3.96Å; F292-H296 HydrophobicContact CE1-CB 4.38Å; F292-H296 AromaticContact CE1-CD2 3.84Å; F292-H296 AromaticContact CE2-CD2 3.38Å; F292-H296 WeakPolarHBondContact CE2-CD2 3.48Å; F292-H296 AromaticContact CE2-NE2 3.69Å; F292-H296 AromaticContact CG-CD2 3.85Å; F292-H296 AromaticContact CZ-CD2 3.55Å; F292-H296 PolarHBondContact O-CD2 2.89Å; F292-H296 PolarHBondContact O-N 3Å; L293-H296 PolarHBondContact O-N 3.42Å; I294-H296 VanDerWaalsContact C-N 3.28Å; I294-H296 PolarHBondContact O-N 3.43Å; H296-Q298 PolarHBondContact O-N 3.08Å; H296-K299 PolarHBondContact O-N 2.85Å; H296-L300 HydrophobicContact CB-CD2 4.49Å; H296-L300 WeakPolarHBondContact O-CG 3.33Å |
| 297 | S | 95.9 | Very high | 95 | Very high | 5 Ų | 5 | 42.7 Ų | 42.7 | 4% | 0.035 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -44.6 | -42.2 | -174.2 | 62.9 | 0 | 0 | 0 | 0 | 114.2 | Y244 L293 K299 L300 F301 | Y244-S297 WeakPolarHBondContact CB-OG 3.48Å; L293-S297 WeakPolarHBondContact O-CA 3.29Å; L293-S297 PolarHBondContact O-N 3.11Å; S297-K299 PolarHBondContact O-N 3.3Å; S297-L300 PolarHBondContact O-N 2.97Å; S297-L300 VanDerWaalsContact O-N 3.16Å; S297-F301 WeakPolarHBondContact O-CD2 3.38Å |
| 298 | Q | 93.8 | Very high | 95 | Very high | 89 Ų | 89 | 44.5 Ų | 44.5 | 42% | 0.416 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.1 | -18.3 | -179.7 | -56.6 | -56.1 | -34.1 | 0 | 0 | 114.9 | D241 Y244 H296 K302 | D241-Q298 PolarHBondContact OD1-NE2 2.94Å; Y244-Q298 HydrophobicContact CD1-CG 4.38Å; Y244-Q298 HydrophobicContact CE1-CG 3.99Å; H296-Q298 PolarHBondContact O-N 3.08Å; Q298-K302 WeakPolarHBondContact O-CE 3.37Å |
| 299 | K | 94.3 | Very high | 95 | Very high | 117 Ų | 117 | 44.8 Ų | 44.8 | 51% | 0.509 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -104 | -23.9 | 179.4 | -62.3 | -177.5 | 179.6 | -175 | 0 | 113 | I218 Q222 H296 S297 F301 K302 | I218-K299 HydrophobicContact CD1-CD 3.94Å; I218-K299 HydrophobicContact CG2-CB 4.08Å; Q222-K299 PolarHBondContact NE2-O 3.27Å; H296-K299 PolarHBondContact O-N 2.85Å; S297-K299 PolarHBondContact O-N 3.3Å; K299-F301 PolarHBondContact O-N 2.93Å; K299-K302 PolarHBondContact O-N 3.29Å |
| 300 | L | 95.8 | Very high | 95 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75.3 | -20.8 | -166 | -58.5 | 175.7 | 0 | 0 | 0 | 114.5 | I218 F221 Q222 F225 L293 H296 S297 | I218-L300 HydrophobicContact CB-CD2 4.43Å; I218-L300 HydrophobicContact CG1-CD2 4.22Å; I218-L300 HydrophobicContact CG2-CD2 4.32Å; F221-L300 HydrophobicContact CB-CD2 3.85Å; F221-L300 HydrophobicContact CD2-CD2 4.48Å; Q222-L300 WeakPolarHBondContact CA-O 3.43Å; Q222-L300 WeakPolarHBondContact CG-O 3.42Å; F225-L300 HydrophobicContact CD2-CB 3.91Å; F225-L300 HydrophobicContact CE2-CB 3.67Å; F225-L300 HydrophobicContact CE2-CD1 3.99Å; F225-L300 HydrophobicContact CE2-CG 4.42Å; F225-L300 HydrophobicContact CZ-CD1 4.45Å; L293-L300 HydrophobicContact CB-CD1 4.19Å; L293-L300 HydrophobicContact CD2-CD1 3.68Å; L293-L300 WeakPolarHBondContact O-CD1 3.33Å; H296-L300 HydrophobicContact CB-CD2 4.49Å; H296-L300 WeakPolarHBondContact O-CG 3.33Å; S297-L300 PolarHBondContact O-N 2.97Å; S297-L300 VanDerWaalsContact O-N 3.16Å |
| 301 | F | 94.6 | Very high | 94.8 | Very high | 23 Ų | 23 | 49.1 Ų | 49.1 | 10% | 0.101 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.6 | 9.1 | -177.7 | -64.6 | -85.9 | 0 | 0 | 0 | 113.7 | F225 R233 L236 K237 L240 S297 K299 | F225-F301 HydrophobicContact CD2-CD1 4.24Å; F225-F301 AromaticContact CD2-CE1 3.88Å; F225-F301 HydrophobicContact CD2-CE1 3.88Å; F225-F301 HydrophobicContact CD2-CE2 4.45Å; F225-F301 AromaticContact CD2-CZ 3.98Å; F225-F301 HydrophobicContact CD2-CZ 3.98Å; F225-F301 HydrophobicContact CE2-CE1 4.25Å; F225-F301 HydrophobicContact CE2-CE2 4.24Å; F225-F301 AromaticContact CE2-CZ 3.88Å; F225-F301 HydrophobicContact CE2-CZ 3.88Å; R233-F301 HydrophobicContact CG-CD1 4.13Å; R233-F301 HydrophobicContact CG-CE1 4.1Å; R233-F301 PolarHBondContact NH2-O 2.8Å; L236-F301 HydrophobicContact CB-CZ 4.38Å; L236-F301 HydrophobicContact CD2-CE1 4.32Å; L236-F301 HydrophobicContact CD2-CZ 4.11Å; L236-F301 HydrophobicContact CG-CE1 4.49Å; L236-F301 HydrophobicContact CG-CZ 4Å; K237-F301 HydrophobicContact CB-CD1 3.9Å; K237-F301 HydrophobicContact CB-CD2 4.28Å; K237-F301 HydrophobicContact CB-CE1 3.63Å; K237-F301 HydrophobicContact CB-CE2 4.03Å; K237-F301 HydrophobicContact CB-CG 4.22Å; K237-F301 HydrophobicContact CB-CZ 3.71Å; K237-F301 HydrophobicContact CD-CB 4.46Å; K237-F301 HydrophobicContact CD-CD1 4.39Å; K237-F301 HydrophobicContact CD-CG 4.24Å; K237-F301 HydrophobicContact CG-CD1 4.17Å; K237-F301 HydrophobicContact CG-CD2 3.96Å; K237-F301 HydrophobicContact CG-CE1 4.3Å; K237-F301 HydrophobicContact CG-CE2 4.11Å; K237-F301 HydrophobicContact CG-CG 3.99Å; K237-F301 HydrophobicContact CG-CZ 4.28Å; L240-F301 HydrophobicContact CD1-CE2 3.97Å; L240-F301 HydrophobicContact CD1-CZ 4Å; S297-F301 WeakPolarHBondContact O-CD2 3.38Å; K299-F301 PolarHBondContact O-N 2.93Å |
| 302 | K | 92.3 | Very high | 94.6 | Very high | 120 Ų | 120 | 54 Ų | 54 | 52% | 0.522 | 24% | 0.24 | S | C | . | . | S | Bend | trans | -95.7 | 137.8 | 176 | -60.9 | -179 | -178.8 | -175.6 | 0 | 109.5 | Q222 Q298 K299 | Q222-K302 VanDerWaalsContact CD-O 3.22Å; Q222-K302 VanDerWaalsContact CG-O 3.24Å; Q222-K302 WeakPolarHBondContact CG-O 3.25Å; Q222-K302 PolarHBondContact NE2-O 3.4Å; Q298-K302 WeakPolarHBondContact O-CE 3.37Å; K299-K302 PolarHBondContact O-N 3.29Å |
| 303 | A | 93.8 | Very high | 94.4 | Very high | 7 Ų | 7 | 57.5 Ų | 57.5 | 6% | 0.058 | 26% | 0.259 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 141.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | D40 V43 M226 K308 | D40-A303 PolarHBondContact OD2-N 3.37Å; V43-A303 HydrophobicContact CB-CB 4.42Å; V43-A303 HydrophobicContact CG1-CB 4.07Å; V43-A303 HydrophobicContact CG2-CB 3.97Å; M226-A303 HydrophobicContact SD-CB 4.04Å; A303-K308 HydrophobicContact CB-CG 3.87Å; A303-K308 WeakPolarHBondContact O-CE 3.23Å |
| 304 | P | 95.3 | Very high | 94.1 | Very high | 7 Ų | 7 | 60.6 Ų | 60.6 | 5% | 0.045 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 146.7 | 170.7 | -23.6 | 33.7 | 0 | 0 | 0 | 111.6 | E219 Q222 L223 M226 Y306 I307 K308 | E219-P304 HydrophobicContact CG-CG 4.39Å; Q222-P304 HydrophobicContact CB-CG 4.13Å; L223-P304 HydrophobicContact CD2-CG 4.07Å; L223-P304 HydrophobicContact CG-CG 4.21Å; M226-P304 HydrophobicContact CE-CG 4.39Å; P304-Y306 VanDerWaalsContact C-N 3.29Å; P304-Y306 HydrophobicContact CB-CD1 3.96Å; P304-Y306 HydrophobicContact CB-CE1 3.45Å; P304-Y306 VanDerWaalsContact CB-CE1 3.45Å; P304-Y306 HydrophobicContact CB-CE2 4.23Å; P304-Y306 HydrophobicContact CG-CE1 4.39Å; P304-Y306 PolarHBondContact O-N 3.07Å; P304-I307 HydrophobicContact CB-CG1 4.23Å; P304-I307 HydrophobicContact CG-CG1 4.28Å; P304-I307 WeakPolarHBondContact O-CB 3.41Å; P304-I307 PolarHBondContact O-N 3.33Å; P304-K308 PolarHBondContact O-N 2.83Å; P304-K308 VanDerWaalsContact O-N 3.16Å |
| 305 | V | 93.4 | Very high | 93.6 | Very high | 120 Ų | 120 | 62.4 Ų | 62.4 | 73% | 0.727 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -55.7 | -42.9 | -172.5 | 179.7 | 0 | 0 | 0 | 0 | 112.2 | I307 K308 E309 | V305-I307 VanDerWaalsContact C-N 3.32Å; V305-I307 PolarHBondContact O-N 2.86Å; V305-K308 WeakPolarHBondContact O-CB 3.4Å; V305-K308 PolarHBondContact O-N 3.32Å; V305-E309 PolarHBondContact O-N 2.85Å |
| 306 | Y | 93.8 | Very high | 93.1 | Very high | 81 Ų | 81 | 58.2 Ų | 58.2 | 32% | 0.318 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67 | -30.5 | 179.8 | 59.7 | -96.9 | 0 | 0 | 0 | 113.2 | N61 E219 P304 Y310 | N61-Y306 HydrophobicContact CB-CE2 4.31Å; N61-Y306 VanDerWaalsContact CG-CE2 3.46Å; N61-Y306 WeakPolarHBondContact OD1-CE2 3.27Å; N61-Y306 PolarHBondContact OD1-OH 3.38Å; E219-Y306 WeakPolarHBondContact OE1-CE1 3.26Å; E219-Y306 VanDerWaalsContact OE1-CZ 3.28Å; E219-Y306 PolarHBondContact OE1-OH 3.37Å; P304-Y306 VanDerWaalsContact C-N 3.29Å; P304-Y306 HydrophobicContact CB-CD1 3.96Å; P304-Y306 HydrophobicContact CB-CE1 3.45Å; P304-Y306 VanDerWaalsContact CB-CE1 3.45Å; P304-Y306 HydrophobicContact CB-CE2 4.23Å; P304-Y306 HydrophobicContact CG-CE1 4.39Å; P304-Y306 PolarHBondContact O-N 3.07Å; Y306-Y310 VanDerWaalsContact O-CB 3.31Å; Y306-Y310 WeakPolarHBondContact O-CB 3.39Å; Y306-Y310 PolarHBondContact O-N 3.18Å |
| 307 | I | 95.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69 | -41.1 | 173.7 | -62.3 | -62.7 | 0 | 0 | 0 | 109.9 | V43 F54 L57 L223 M226 P304 V305 Y310 A311 | V43-I307 HydrophobicContact CG1-CG2 4.06Å; V43-I307 HydrophobicContact CG2-CG2 4.26Å; F54-I307 HydrophobicContact CE2-CG2 4.37Å; L57-I307 HydrophobicContact CD1-CD1 4.31Å; L57-I307 HydrophobicContact CD2-CD1 3.73Å; L57-I307 HydrophobicContact CG-CD1 3.75Å; L223-I307 HydrophobicContact CD2-CD1 4.34Å; L223-I307 HydrophobicContact CD2-CG1 4.18Å; M226-I307 HydrophobicContact CE-CG1 4.23Å; M226-I307 HydrophobicContact CE-CG2 4.39Å; M226-I307 HydrophobicContact SD-CG2 4.32Å; P304-I307 HydrophobicContact CB-CG1 4.23Å; P304-I307 HydrophobicContact CG-CG1 4.28Å; P304-I307 WeakPolarHBondContact O-CB 3.41Å; P304-I307 PolarHBondContact O-N 3.33Å; V305-I307 VanDerWaalsContact C-N 3.32Å; V305-I307 PolarHBondContact O-N 2.86Å; I307-Y310 PolarHBondContact O-N 2.86Å; I307-A311 WeakPolarHBondContact O-CB 3.44Å; I307-A311 PolarHBondContact O-N 3.4Å |
| 308 | K | 93.8 | Very high | 89.8 | Confident | 54 Ų | 54 | 61.7 Ų | 61.7 | 24% | 0.235 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 175.9 | -57 | -170.7 | -163.1 | -155.4 | 0 | 111.4 | D40 V43 A303 P304 V305 A311 R312 | D40-K308 WeakPolarHBondContact OD1-CE 3.33Å; D40-K308 IonicContact OD1-NZ 3.65Å; D40-K308 PolarHBondContact OD1-NZ 3.31Å; V43-K308 HydrophobicContact CG2-CB 4.31Å; V43-K308 HydrophobicContact CG2-CG 3.98Å; A303-K308 HydrophobicContact CB-CG 3.87Å; A303-K308 WeakPolarHBondContact O-CE 3.23Å; P304-K308 PolarHBondContact O-N 2.83Å; P304-K308 VanDerWaalsContact O-N 3.16Å; V305-K308 WeakPolarHBondContact O-CB 3.4Å; V305-K308 PolarHBondContact O-N 3.32Å; K308-A311 PolarHBondContact O-N 3.29Å; K308-R312 VanDerWaalsContact O-CB 3.29Å; K308-R312 WeakPolarHBondContact O-CB 3.37Å; K308-R312 PolarHBondContact O-N 3.37Å |
| 309 | E | 92.8 | Very high | 87.5 | Confident | 86 Ų | 86 | 66.6 Ų | 66.6 | 40% | 0.402 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66 | -42.7 | -180 | -166.9 | 57.6 | -151.5 | 0 | 0 | 111.3 | V305 A311 R312 L313 | V305-E309 PolarHBondContact O-N 2.85Å; E309-A311 PolarHBondContact O-N 3.16Å; E309-R312 PolarHBondContact O-N 2.86Å; E309-L313 HydrophobicContact CG-CD1 4.08Å; E309-L313 HydrophobicContact CG-CG 4.44Å; E309-L313 WeakPolarHBondContact O-CB 3.11Å; E309-L313 VanDerWaalsContact O-CG 3.3Å; E309-L313 WeakPolarHBondContact O-CG 3.43Å; E309-L313 PolarHBondContact O-N 3.3Å |
| 310 | Y | 93.4 | Very high | 85 | Confident | 102 Ų | 102 | 67 Ų | 67 | 40% | 0.4 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.1 | -49.7 | 174.3 | -175.7 | -85.1 | 0 | 0 | 0 | 111.7 | F46 L57 Y306 I307 R312 L313 F314 | F46-Y310 HydrophobicContact CE1-CD1 4.1Å; F46-Y310 AromaticContact CE1-CE1 3.83Å; F46-Y310 HydrophobicContact CE1-CE1 3.83Å; F46-Y310 HydrophobicContact CZ-CD1 4.45Å; F46-Y310 AromaticContact CZ-CE1 3.78Å; F46-Y310 HydrophobicContact CZ-CE1 3.78Å; L57-Y310 HydrophobicContact CD2-CD1 3.46Å; L57-Y310 VanDerWaalsContact CD2-CD1 3.46Å; L57-Y310 HydrophobicContact CD2-CE1 3.83Å; L57-Y310 HydrophobicContact CD2-CG 3.94Å; Y306-Y310 VanDerWaalsContact O-CB 3.31Å; Y306-Y310 WeakPolarHBondContact O-CB 3.39Å; Y306-Y310 PolarHBondContact O-N 3.18Å; I307-Y310 PolarHBondContact O-N 2.86Å; Y310-R312 PolarHBondContact O-N 3.39Å; Y310-L313 PolarHBondContact O-N 3.47Å; Y310-F314 WeakPolarHBondContact O-CB 3.48Å; Y310-F314 PolarHBondContact O-N 3.47Å |
| 311 | A | 93.1 | Very high | 82.5 | Confident | 1 Ų | 1 | 74.6 Ų | 74.6 | 1% | 0.008 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -64 | -39.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | F42 V43 F46 I307 K308 E309 F314 Y315 | F42-A311 HydrophobicContact CB-CB 4.05Å; V43-A311 HydrophobicContact CG2-CB 4.1Å; F46-A311 HydrophobicContact CB-CB 4.13Å; F46-A311 HydrophobicContact CD1-CB 4.39Å; F46-A311 HydrophobicContact CG-CB 4.45Å; I307-A311 WeakPolarHBondContact O-CB 3.44Å; I307-A311 PolarHBondContact O-N 3.4Å; K308-A311 PolarHBondContact O-N 3.29Å; E309-A311 PolarHBondContact O-N 3.16Å; A311-F314 PolarHBondContact O-N 2.89Å; A311-Y315 VanDerWaalsContact O-CD2 3.23Å; A311-Y315 WeakPolarHBondContact O-CD2 3.47Å; A311-Y315 PolarHBondContact O-N 3.27Å |
| 312 | R | 92 | Very high | 79.8 | Confident | 102 Ų | 102 | 82.3 Ų | 82.3 | 39% | 0.385 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -60.3 | -52.7 | 174.5 | 177 | -173.6 | 149.8 | 108.3 | 2.6 | 110.5 | F42 K308 E309 Y310 F314 Y315 T316 | F42-R312 HydrophobicContact CD2-CB 4.18Å; F42-R312 HydrophobicContact CD2-CG 4.37Å; F42-R312 HydrophobicContact CE2-CG 4.31Å; K308-R312 VanDerWaalsContact O-CB 3.29Å; K308-R312 WeakPolarHBondContact O-CB 3.37Å; K308-R312 PolarHBondContact O-N 3.37Å; E309-R312 PolarHBondContact O-N 2.86Å; Y310-R312 PolarHBondContact O-N 3.39Å; R312-F314 VanDerWaalsContact C-N 3.3Å; R312-F314 PolarHBondContact O-N 3.09Å; R312-Y315 PolarHBondContact O-N 3.11Å; R312-Y315 VanDerWaalsContact O-N 3.16Å; R312-T316 HydrophobicContact CG-CG2 4.18Å; R312-T316 PolarHBondContact O-N 3.27Å; R312-T316 PolarHBondContact O-OG1 2.84Å |
| 313 | L | 91.4 | Very high | 77.6 | Confident | 96 Ų | 96 | 81 Ų | 81 | 50% | 0.503 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61 | -37.2 | -179.5 | -72.8 | 172.4 | 0 | 0 | 0 | 112.6 | E309 Y310 Y315 G317 | E309-L313 HydrophobicContact CG-CD1 4.08Å; E309-L313 HydrophobicContact CG-CG 4.44Å; E309-L313 WeakPolarHBondContact O-CB 3.11Å; E309-L313 VanDerWaalsContact O-CG 3.3Å; E309-L313 WeakPolarHBondContact O-CG 3.43Å; E309-L313 PolarHBondContact O-N 3.3Å; Y310-L313 PolarHBondContact O-N 3.47Å; L313-Y315 VanDerWaalsContact C-N 3.26Å; L313-Y315 PolarHBondContact O-N 2.79Å; L313-G317 WeakPolarHBondContact O-CA 3.33Å; L313-G317 PolarHBondContact O-N 3Å |
| 314 | F | 90.5 | Very high | 75 | Confident | 67 Ų | 67 | 87.5 Ų | 87.5 | 29% | 0.294 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -54.8 | -42.5 | 175.6 | -173.3 | -89.4 | 0 | 0 | 0 | 111.9 | F46 H50 Y310 A311 R312 S318 | F46-F314 AromaticContact CD2-CD1 3.87Å; F46-F314 HydrophobicContact CD2-CD1 3.87Å; F46-F314 HydrophobicContact CD2-CE1 4.06Å; F46-F314 HydrophobicContact CD2-CG 4.16Å; F46-F314 HydrophobicContact CD2-CZ 4.47Å; F46-F314 AromaticContact CE2-CD1 3.88Å; F46-F314 HydrophobicContact CE2-CD1 3.88Å; F46-F314 AromaticContact CE2-CD2 3.83Å; F46-F314 HydrophobicContact CE2-CD2 3.83Å; F46-F314 AromaticContact CE2-CE1 3.88Å; F46-F314 HydrophobicContact CE2-CE1 3.88Å; F46-F314 AromaticContact CE2-CE2 3.82Å; F46-F314 HydrophobicContact CE2-CE2 3.82Å; F46-F314 AromaticContact CE2-CG 3.86Å; F46-F314 HydrophobicContact CE2-CG 3.86Å; F46-F314 AromaticContact CE2-CZ 3.85Å; F46-F314 HydrophobicContact CE2-CZ 3.85Å; F46-F314 HydrophobicContact CZ-CD2 4.37Å; F46-F314 HydrophobicContact CZ-CE2 4.49Å; H50-F314 AromaticContact CD2-CE1 3.39Å; H50-F314 WeakPolarHBondContact CD2-CE1 3.39Å; H50-F314 AromaticContact CD2-CZ 3.59Å; H50-F314 AromaticContact NE2-CE1 3.45Å; H50-F314 WeakPolarHBondContact NE2-CE1 3.43Å; H50-F314 AromaticContact NE2-CZ 3.63Å; Y310-F314 WeakPolarHBondContact O-CB 3.48Å; Y310-F314 PolarHBondContact O-N 3.47Å; A311-F314 PolarHBondContact O-N 2.89Å; R312-F314 VanDerWaalsContact C-N 3.3Å; R312-F314 PolarHBondContact O-N 3.09Å; F314-S318 PolarHBondContact O-OG 3.2Å |
| 315 | Y | 88.6 | Confident | 72.4 | Confident | 38 Ų | 38 | 94.8 Ų | 94.8 | 15% | 0.149 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -89.9 | -35.4 | -179.5 | -69.9 | -67.4 | 0 | 0 | 0 | 114.4 | F42 R45 F46 E49 A311 R312 L313 | F42-Y315 AromaticContact CD1-CD2 3.81Å; F42-Y315 HydrophobicContact CD1-CD2 3.81Å; F42-Y315 HydrophobicContact CD1-CG 4.26Å; R45-Y315 HydrophobicContact CB-CE2 4.37Å; R45-Y315 HydrophobicContact CG-CE2 4.17Å; F46-Y315 WeakPolarHBondContact CA-OH 3.45Å; F46-Y315 HydrophobicContact CB-CE2 3.94Å; F46-Y315 HydrophobicContact CD2-CE2 4.31Å; E49-Y315 WeakPolarHBondContact OE2-CE1 3.39Å; E49-Y315 VanDerWaalsContact OE2-CZ 3.27Å; E49-Y315 PolarHBondContact OE2-OH 3.45Å; A311-Y315 VanDerWaalsContact O-CD2 3.23Å; A311-Y315 WeakPolarHBondContact O-CD2 3.47Å; A311-Y315 PolarHBondContact O-N 3.27Å; R312-Y315 PolarHBondContact O-N 3.11Å; R312-Y315 VanDerWaalsContact O-N 3.16Å; L313-Y315 VanDerWaalsContact C-N 3.26Å; L313-Y315 PolarHBondContact O-N 2.79Å |
| 316 | T | 86.5 | Confident | 69.9 | Low | 63 Ų | 63 | 97 Ų | 97 | 39% | 0.387 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -83.5 | -29 | -178.6 | 58.8 | 0 | 0 | 0 | 0 | 113 | R312 S318 | R312-T316 HydrophobicContact CG-CG2 4.18Å; R312-T316 PolarHBondContact O-N 3.27Å; R312-T316 PolarHBondContact O-OG1 2.84Å; T316-S318 PolarHBondContact O-N 3.19Å |
| 317 | G | 63.9 | Low | 67.6 | Low | 40 Ų | 40 | 100.4 Ų | 100.4 | 41% | 0.412 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -73.4 | -10.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | L313 K319 T320 | L313-G317 WeakPolarHBondContact O-CA 3.33Å; L313-G317 PolarHBondContact O-N 3Å; G317-K319 PolarHBondContact O-N 3.4Å; G317-T320 PolarHBondContact O-OG1 3.42Å |
| 318 | S | 56.6 | Low | 64.7 | Low | 81 Ų | 81 | 108.4 Ų | 108.4 | 57% | 0.566 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -73.4 | -3.3 | 177.8 | -75.1 | 0 | 0 | 0 | 0 | 114.6 | F314 T316 | F314-S318 PolarHBondContact O-OG 3.2Å; T316-S318 PolarHBondContact O-N 3.19Å |
| 319 | K | 46.5 | Very low | 62 | Low | 192 Ų | 192 | 114.1 Ų | 114.1 | 84% | 0.835 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -88.9 | -7.6 | 178.6 | -75.6 | -168.7 | 176.5 | -174.6 | 0 | 115.6 | G317 | G317-K319 PolarHBondContact O-N 3.4Š|
| 320 | T | 42.4 | Very low | 58.9 | Low | 125 Ų | 125 | 115.8 Ų | 115.8 | 77% | 0.767 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -101.7 | 12.1 | -178.5 | 24.3 | 0 | 0 | 0 | 0 | 115 | G317 | G317-T320 PolarHBondContact O-OG1 3.42Š|
| 321 | L | 43 | Very low | 55.9 | Low | 162 Ų | 162 | 116.9 Ų | 116.9 | 85% | 0.848 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -139.3 | 26.3 | 178.4 | -111.8 | 134.1 | 0 | 0 | 0 | 114.2 | ||
| 322 | Q | 38 | Very low | 52.9 | Low | 185 Ų | 185 | 120.1 Ų | 120.1 | 86% | 0.864 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -124.2 | 37.8 | 166.6 | -69.7 | -170.5 | -3.4 | 0 | 0 | 111.7 | ||
| 323 | S | 45.2 | Very low | 50 | Low | 92 Ų | 92 | 122.8 Ų | 122.8 | 64% | 0.643 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -137.1 | 121.1 | 169.1 | 170.5 | 0 | 0 | 0 | 0 | 106.8 | ||
| 324 | N | 39.3 | Very low | 47.3 | Very low | 143 Ų | 143 | 127.2 Ų | 127.2 | 77% | 0.765 | 71% | 0.714 | S | S | * | * | S | Bend | trans | 99.7 | 63.5 | -178.8 | -51.2 | -30.5 | 0 | 0 | 0 | 114.8 | ||
| 325 | D | 40.4 | Very low | 44.4 | Very low | 160 Ų | 160 | 130.4 Ų | 130.4 | 86% | 0.856 | 74% | 0.739 | S | S | * | * | -178.2 | 70.6 | 124.4 | -85 | -17.1 | 0 | 0 | 0 | 109.8 | |||||
| 326 | D | 41.6 | Very low | 41.7 | Very low | 166 Ų | 166 | 132.8 Ų | 132.8 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -110.5 | 60.1 | 162.6 | -107.8 | -15.8 | 0 | 0 | 0 | 108.7 | ||||
| 327 | L | 46.2 | Very low | 38.9 | Very low | 153 Ų | 153 | 135.6 Ų | 135.6 | 80% | 0.801 | 80% | 0.798 | S | S | * | * | trans | -152.6 | 90.4 | 160.3 | -74.4 | -177.7 | 0 | 0 | 0 | 108.2 | ||||
| 328 | N | 33.7 | Very low | 37.4 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | 178.3 | 104.5 | 129.9 | -87.1 | -44.8 | 0 | 0 | 0 | 110.1 | |||||
| 329 | L | 36.2 | Very low | 36.2 | Very low | 174 Ų | 174 | 142.4 Ų | 142.4 | 91% | 0.911 | 83% | 0.829 | S | S | * | * | trans | -73.7 | 139 | 165.6 | -85.1 | 159.1 | 0 | 0 | 0 | 110.5 | ||||
| 330 | S | 29.3 | Very low | 35.3 | Very low | 121 Ų | 121 | 138.1 Ų | 138.1 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | 86.6 | 102 | 151 | -136.1 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 331 | S | 30.2 | Very low | 34.8 | Very low | 124 Ų | 124 | 140 Ų | 140 | 87% | 0.867 | 83% | 0.833 | S | S | * | * | 178.8 | 129.8 | 116.1 | -170.8 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 332 | G | 29.5 | Very low | 34.3 | Very low | 70 Ų | 70 | 136.6 Ų | 136.6 | 72% | 0.722 | 83% | 0.829 | S | S | * | * | trans | 96.3 | 99.2 | 140.5 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 333 | N | 31.9 | Very low | 33.9 | Very low | 157 Ų | 157 | 134.5 Ų | 134.5 | 84% | 0.84 | 83% | 0.829 | S | S | * | * | trans | -29.4 | 131.5 | 157.7 | -64.8 | -29.9 | 0 | 0 | 0 | 116 | ||||
| 334 | K | 33.3 | Very low | 33.2 | Very low | 190 Ų | 190 | 135.6 Ų | 135.6 | 83% | 0.826 | 84% | 0.836 | S | S | * | * | 165 | 141 | 111.1 | -91.5 | 177 | -177.4 | 177.4 | 0 | 113.2 | |||||
| 335 | T | 31 | Very low | 32.8 | Very low | 133 Ų | 133 | 134.3 Ų | 134.3 | 82% | 0.816 | 84% | 0.838 | S | S | * | * | trans | 63.3 | 104 | 150.5 | 55.2 | 0 | 0 | 0 | 0 | 119 | ||||
| 336 | G | 30.9 | Very low | 32.5 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 92% | 0.918 | 84% | 0.836 | S | S | * | * | trans | -74.7 | 127 | 164.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 337 | S | 28.5 | Very low | 31.9 | Very low | 122 Ų | 122 | 130.6 Ų | 130.6 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | trans | -129.6 | 126.5 | 159.1 | -161.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 338 | I | 31.8 | Very low | 31.2 | Very low | 172 Ų | 172 | 132.5 Ų | 132.5 | 88% | 0.882 | 84% | 0.839 | S | S | * | * | trans | -74.2 | 129.7 | -175.4 | -63.9 | 166.5 | 0 | 0 | 0 | 108.9 | ||||
| 339 | A | 30.6 | Very low | 31 | Very low | 92 Ų | 92 | 129.9 Ų | 129.9 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | trans | -139.3 | 130 | 164.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 340 | A | 29.6 | Very low | 30.9 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 84% | 0.843 | 83% | 0.834 | S | S | * | * | trans | -69.7 | 140.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 341 | I | 30.9 | Very low | 30.9 | Very low | 163 Ų | 163 | 134.2 Ų | 134.2 | 84% | 0.836 | 84% | 0.836 | S | S | * | * | trans | -100.7 | 115.2 | 169.8 | -63.8 | 174.8 | 0 | 0 | 0 | 107.9 | ||||
| 342 | A | 32.2 | Very low | 30.8 | Very low | 92 Ų | 92 | 133.1 Ų | 133.1 | 76% | 0.76 | 83% | 0.829 | S | S | * | * | trans | -72.5 | 136 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 343 | T | 29.1 | Very low | 30.8 | Very low | 141 Ų | 141 | 137 Ų | 137 | 87% | 0.865 | 83% | 0.831 | S | S | * | * | trans | -74.9 | 119.2 | 178.2 | 48.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 344 | S | 32.1 | Very low | 30.6 | Very low | 115 Ų | 115 | 134.4 Ų | 134.4 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | -109.6 | 126 | 160.9 | 53.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 345 | S | 29.8 | Very low | 30.3 | Very low | 116 Ų | 116 | 129.2 Ų | 129.2 | 81% | 0.811 | 83% | 0.832 | S | S | * | * | trans | -86.5 | 147.8 | 171.8 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 346 | P | 33.8 | Very low | 30.1 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 80% | 0.799 | 83% | 0.834 | S | S | * | * | trans | -92.6 | 145.6 | -175.5 | 35.1 | -30.6 | 0 | 0 | 0 | 112 | ||||
| 347 | S | 30.1 | Very low | 29.9 | Very low | 125 Ų | 125 | 133.7 Ų | 133.7 | 87% | 0.874 | 83% | 0.829 | S | S | * | * | trans | -124.4 | 143.5 | 166.8 | -77.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 348 | H | 31.3 | Very low | 29.8 | Very low | 192 Ų | 192 | 133.1 Ų | 133.1 | 89% | 0.889 | 83% | 0.825 | S | S | * | * | trans | -61.7 | 140.4 | -160.4 | -71.6 | -93.6 | 0 | 0 | 0 | 116.8 | ||||
| 349 | S | 30.3 | Very low | 29.7 | Very low | 115 Ų | 115 | 130.7 Ų | 130.7 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -85.7 | 134.5 | 167 | 55.4 | 0 | 0 | 0 | 0 | 112 | ||||
| 350 | V | 33.3 | Very low | 29.5 | Very low | 149 Ų | 149 | 132.9 Ų | 132.9 | 90% | 0.903 | 83% | 0.827 | S | S | * | * | trans | -127.3 | 133.4 | 152.4 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 351 | R | 28.8 | Very low | 29.4 | Very low | 237 Ų | 237 | 133.1 Ų | 133.1 | 89% | 0.894 | 82% | 0.823 | S | S | * | * | trans | -104.4 | 137.6 | -172.5 | 179.2 | -176.1 | -159.1 | 163.4 | 5.7 | 109.6 | ||||
| 352 | S | 28.4 | Very low | 29.3 | Very low | 100 Ų | 100 | 132.6 Ų | 132.6 | 70% | 0.699 | 82% | 0.822 | S | S | * | * | trans | -175.4 | 106.7 | 142.6 | -173.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 353 | I | 29.3 | Very low | 29.3 | Very low | 151 Ų | 151 | 136.6 Ų | 136.6 | 77% | 0.774 | 83% | 0.829 | S | S | * | * | 92.4 | 111.2 | 100.5 | -63.9 | 170.8 | 0 | 0 | 0 | 114.9 | |||||
| 354 | A | 27.7 | Very low | 29.5 | Very low | 103 Ų | 103 | 138.9 Ų | 138.9 | 85% | 0.851 | 83% | 0.827 | S | S | * | * | trans | 23.6 | 134.4 | 146.4 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 355 | G | 26.4 | Very low | 29.6 | Very low | 81 Ų | 81 | 138.8 Ų | 138.8 | 84% | 0.835 | 82% | 0.823 | S | S | * | * | trans | 175.7 | 106.2 | 155.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 356 | E | 28.2 | Very low | 30 | Very low | 184 Ų | 184 | 136.5 Ų | 136.5 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | -70.5 | 143.7 | 178.8 | -66.3 | 172.2 | 145.9 | 0 | 0 | 112.5 | ||||
| 357 | T | 25.9 | Very low | 30.9 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 81% | 0.81 | 81% | 0.807 | S | S | * | * | 168.9 | 127 | 119 | 36.7 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 358 | S | 26.5 | Very low | 31.8 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 77% | 0.769 | 80% | 0.801 | S | S | * | * | trans | 7.1 | 120.8 | 154.4 | 52.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 359 | S | 28.6 | Very low | 32.7 | Very low | 122 Ų | 122 | 136.6 Ų | 136.6 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | -175.1 | 144.7 | 122.3 | 23.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 360 | T | 27.6 | Very low | 34.2 | Very low | 137 Ų | 137 | 135 Ų | 135 | 84% | 0.84 | 78% | 0.776 | S | S | * | * | trans | -48.7 | 133.2 | 176.6 | 44.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 361 | S | 28 | Very low | 35.9 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -179.7 | 127.9 | 140.1 | 38.6 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 362 | D | 28.8 | Very low | 38 | Very low | 152 Ų | 152 | 128.5 Ų | 128.5 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | 28.6 | 111.8 | 144.4 | -55.4 | -38.7 | 0 | 0 | 0 | 120.1 | K364 | D362-K364 PolarHBondContact O-N 2.79Š| ||
| 363 | I | 31.1 | Very low | 40.1 | Very low | 176 Ų | 176 | 128.5 Ų | 128.5 | 90% | 0.903 | 74% | 0.735 | S | S | * | * | trans | -71.1 | 105.8 | 168.2 | -61 | 171.6 | 0 | 0 | 0 | 109.1 | ||||
| 364 | K | 34.6 | Very low | 42.3 | Very low | 189 Ų | 189 | 124.5 Ų | 124.5 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 142.1 | 164.1 | -83.8 | 179.7 | 176.6 | 175.8 | 0 | 110.9 | D362 | D362-K364 PolarHBondContact O-N 2.79Š|
| 365 | P | 33.8 | Very low | 44.1 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 73% | 0.734 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -76.7 | 154.2 | 169.4 | 24.2 | -17.8 | 0 | 0 | 0 | 111.8 | ||
| 366 | S | 38.1 | Very low | 46.3 | Very low | 68 Ų | 68 | 123 Ų | 123 | 48% | 0.476 | 68% | 0.682 | S | S | . | * | P | Polyproline II helix | trans | -49.5 | 130.6 | -169.7 | 68.7 | 0 | 0 | 0 | 0 | 115.3 | N368 Q369 | S366-N368 PolarHBondContact O-N 2.63Å; S366-N368 VanDerWaalsContact O-N 3.1Å; S366-Q369 PolarHBondContact O-N 3.31Å |
| 367 | E | 52.4 | Low | 48.6 | Very low | 172 Ų | 172 | 122 Ų | 122 | 80% | 0.804 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -57.7 | -23.6 | -179 | -76.8 | 178.3 | 147.9 | 0 | 0 | 114.8 | Y371 | E367-Y371 PolarHBondContact O-N 3.23Å |
| 368 | N | 48.7 | Very low | 51.2 | Low | 137 Ų | 137 | 122.1 Ų | 122.1 | 73% | 0.733 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -75.4 | -28.8 | -178.7 | -73.2 | -12.5 | 0 | 0 | 0 | 113.9 | S366 T372 | S366-N368 PolarHBondContact O-N 2.63Å; S366-N368 VanDerWaalsContact O-N 3.1Å; N368-T372 PolarHBondContact O-N 3.45Å; N368-T372 PolarHBondContact O-OG1 3.19Å; N368-T372 VanDerWaalsContact O-OG1 3.12Å |
| 369 | Q | 51.1 | Low | 53.5 | Low | 134 Ų | 134 | 120.7 Ų | 120.7 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.1 | -36.9 | 175.6 | -77.2 | 179.4 | -5.2 | 0 | 0 | 111.7 | S366 Y371 T372 E373 | S366-Q369 PolarHBondContact O-N 3.31Å; Q369-Y371 PolarHBondContact O-N 3.4Å; Q369-T372 WeakPolarHBondContact CA-OG1 3.41Å; Q369-T372 PolarHBondContact O-N 3.18Å; Q369-T372 PolarHBondContact O-OG1 3.41Å; Q369-E373 WeakPolarHBondContact O-CB 3.41Å; Q369-E373 PolarHBondContact O-N 3.36Å |
| 370 | S | 60.9 | Low | 55.6 | Low | 80 Ų | 80 | 120.2 Ų | 120.2 | 56% | 0.559 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -64.7 | -39.8 | 179.1 | -175 | 0 | 0 | 0 | 0 | 112.1 | E373 S374 | S370-E373 PolarHBondContact O-N 3.41Å; S370-S374 WeakPolarHBondContact O-CB 3.33Å; S370-S374 PolarHBondContact O-N 2.76Å |
| 371 | Y | 68.4 | Low | 58.1 | Low | 170 Ų | 170 | 121.6 Ų | 121.6 | 67% | 0.667 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.1 | -45.5 | 176.4 | -175.4 | -102 | 0 | 0 | 0 | 112.1 | E367 Q369 E373 S374 C375 | E367-Y371 PolarHBondContact O-N 3.23Å; Q369-Y371 PolarHBondContact O-N 3.4Å; Y371-E373 VanDerWaalsContact C-N 3.34Å; Y371-E373 PolarHBondContact O-N 2.96Å; Y371-S374 PolarHBondContact O-N 3.1Å; Y371-C375 PolarHBondContact O-N 2.83Å; Y371-C375 PolarHBondContact O-SG 3.07Å |
| 372 | T | 73.5 | Confident | 60.5 | Low | 80 Ų | 80 | 122.2 Ų | 122.2 | 49% | 0.491 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.3 | -39.3 | 176.8 | 42.6 | 0 | 0 | 0 | 0 | 112.6 | N368 Q369 L376 | N368-T372 PolarHBondContact O-N 3.45Å; N368-T372 PolarHBondContact O-OG1 3.19Å; N368-T372 VanDerWaalsContact O-OG1 3.12Å; Q369-T372 WeakPolarHBondContact CA-OG1 3.41Å; Q369-T372 PolarHBondContact O-N 3.18Å; Q369-T372 PolarHBondContact O-OG1 3.41Å; T372-L376 WeakPolarHBondContact O-CG 3.16Å; T372-L376 PolarHBondContact O-N 3.09Å |
| 373 | E | 73.5 | Confident | 62.8 | Low | 100 Ų | 100 | 115.3 Ų | 115.3 | 47% | 0.467 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.7 | -38 | 178.5 | -164 | -177.2 | 169.4 | 0 | 0 | 111.7 | Q369 S370 Y371 L376 R377 | Q369-E373 WeakPolarHBondContact O-CB 3.41Å; Q369-E373 PolarHBondContact O-N 3.36Å; S370-E373 PolarHBondContact O-N 3.41Å; Y371-E373 VanDerWaalsContact C-N 3.34Å; Y371-E373 PolarHBondContact O-N 2.96Å; E373-L376 PolarHBondContact O-N 3.07Å; E373-R377 WeakPolarHBondContact O-CG 3.22Å; E373-R377 PolarHBondContact O-N 2.87Å; E373-R377 IonicContact OE1-CZ 3.46Å; E373-R377 IonicContact OE1-NE 3.69Å; E373-R377 IonicContact OE1-NH2 3.99Å; E373-R377 PolarHBondContact OE1-NH2 3.18Å |
| 374 | S | 73.5 | Confident | 64.8 | Low | 68 Ų | 68 | 112 Ų | 112 | 48% | 0.476 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.4 | -44 | 175.9 | -154.6 | 0 | 0 | 0 | 0 | 111.6 | S370 Y371 L376 R377 E378 | S370-S374 WeakPolarHBondContact O-CB 3.33Å; S370-S374 PolarHBondContact O-N 2.76Å; Y371-S374 PolarHBondContact O-N 3.1Å; S374-L376 PolarHBondContact O-N 3.31Å; S374-R377 PolarHBondContact O-N 3.42Å; S374-E378 WeakPolarHBondContact O-CB 3.43Å; S374-E378 PolarHBondContact O-N 3.4Å |
| 375 | C | 67.4 | Low | 66.8 | Low | 55 Ų | 55 | 107.4 Ų | 107.4 | 37% | 0.372 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.5 | -39.8 | 174.8 | -75.1 | 0 | 0 | 0 | 0 | 112.7 | Y371 E378 L379 | Y371-C375 PolarHBondContact O-N 2.83Å; Y371-C375 PolarHBondContact O-SG 3.07Å; C375-E378 PolarHBondContact O-N 2.87Å; C375-L379 WeakPolarHBondContact O-CB 3.43Å; C375-L379 PolarHBondContact O-N 3.13Å |
| 376 | L | 71.1 | Confident | 68.8 | Low | 96 Ų | 96 | 105.4 Ų | 105.4 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 175.9 | -75 | 171.1 | 0 | 0 | 0 | 111.5 | T372 E373 S374 E378 L379 Y380 | T372-L376 WeakPolarHBondContact O-CG 3.16Å; T372-L376 PolarHBondContact O-N 3.09Å; E373-L376 PolarHBondContact O-N 3.07Å; S374-L376 PolarHBondContact O-N 3.31Å; L376-E378 VanDerWaalsContact C-N 3.31Å; L376-E378 PolarHBondContact O-N 3.33Å; L376-L379 WeakPolarHBondContact O-CB 3.48Å; L376-L379 PolarHBondContact O-N 2.88Å; L376-Y380 VanDerWaalsContact O-CD2 3.24Å; L376-Y380 WeakPolarHBondContact O-CD2 3.32Å; L376-Y380 PolarHBondContact O-N 2.81Å |
| 377 | R | 77.1 | Confident | 70.5 | Confident | 165 Ų | 165 | 107.4 Ų | 107.4 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -61.5 | -39.4 | 176.4 | -75.7 | -179 | -167.8 | 175.5 | 3.8 | 112.2 | E373 S374 Y380 K381 | E373-R377 WeakPolarHBondContact O-CG 3.22Å; E373-R377 PolarHBondContact O-N 2.87Å; E373-R377 IonicContact OE1-CZ 3.46Å; E373-R377 IonicContact OE1-NE 3.69Å; E373-R377 IonicContact OE1-NH2 3.99Å; E373-R377 PolarHBondContact OE1-NH2 3.18Å; S374-R377 PolarHBondContact O-N 3.42Å; R377-Y380 PolarHBondContact O-N 2.72Å; R377-K381 WeakPolarHBondContact O-CB 3.12Å; R377-K381 PolarHBondContact O-N 3.08Å |
| 378 | E | 80.3 | Confident | 71.1 | Confident | 133 Ų | 133 | 105.3 Ų | 105.3 | 62% | 0.621 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -67.7 | -40.1 | 177.8 | -167.9 | 151.3 | -148.6 | 0 | 0 | 111.8 | S374 C375 L376 Y380 K381 Q382 | S374-E378 WeakPolarHBondContact O-CB 3.43Å; S374-E378 PolarHBondContact O-N 3.4Å; C375-E378 PolarHBondContact O-N 2.87Å; L376-E378 VanDerWaalsContact C-N 3.31Å; L376-E378 PolarHBondContact O-N 3.33Å; E378-Y380 PolarHBondContact O-N 3.38Å; E378-K381 PolarHBondContact O-N 2.81Å; E378-Q382 WeakPolarHBondContact O-CB 3.45Å; E378-Q382 PolarHBondContact O-N 2.71Å |
| 379 | L | 75.8 | Confident | 72.3 | Confident | 80 Ų | 80 | 101.2 Ų | 101.2 | 42% | 0.419 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.2 | -46.4 | 172.9 | -159.9 | 88.7 | 0 | 0 | 0 | 111.6 | C375 L376 K381 Q382 V383 F399 | C375-L379 WeakPolarHBondContact O-CB 3.43Å; C375-L379 PolarHBondContact O-N 3.13Å; L376-L379 WeakPolarHBondContact O-CB 3.48Å; L376-L379 PolarHBondContact O-N 2.88Å; L379-K381 PolarHBondContact O-N 3.01Å; L379-Q382 PolarHBondContact O-N 3.49Å; L379-V383 VanDerWaalsContact O-CG2 3.31Å; L379-V383 WeakPolarHBondContact O-CG2 3.5Å; L379-V383 PolarHBondContact O-N 2.71Å; L379-F399 HydrophobicContact CD2-CE1 4.22Å; L379-F399 HydrophobicContact CD2-CZ 3.72Å |
| 380 | Y | 72.8 | Confident | 73.1 | Confident | 113 Ų | 113 | 98.7 Ų | 98.7 | 44% | 0.443 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.8 | -41.2 | 176.6 | -89.3 | -74.3 | 0 | 0 | 0 | 112.3 | L376 R377 E378 V383 N384 F399 | L376-Y380 VanDerWaalsContact O-CD2 3.24Å; L376-Y380 WeakPolarHBondContact O-CD2 3.32Å; L376-Y380 PolarHBondContact O-N 2.81Å; R377-Y380 PolarHBondContact O-N 2.72Å; E378-Y380 PolarHBondContact O-N 3.38Å; Y380-V383 PolarHBondContact O-N 2.94Å; Y380-N384 WeakPolarHBondContact O-CB 3.49Å; Y380-N384 PolarHBondContact O-N 3.43Å; Y380-F399 HydrophobicContact CE1-CD1 4.33Å; Y380-F399 HydrophobicContact CE1-CG 4.34Å; Y380-F399 AromaticContact CZ-CD1 3.88Å; Y380-F399 WeakPolarHBondContact OH-CD1 3.35Å |
| 381 | K | 78.7 | Confident | 73.5 | Confident | 165 Ų | 165 | 103 Ų | 103 | 72% | 0.717 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63 | -42.9 | 176.7 | -170.5 | 179.1 | 179.5 | -176 | 0 | 111.3 | R377 E378 L379 N384 S385 | R377-K381 WeakPolarHBondContact O-CB 3.12Å; R377-K381 PolarHBondContact O-N 3.08Å; E378-K381 PolarHBondContact O-N 2.81Å; L379-K381 PolarHBondContact O-N 3.01Å; K381-N384 PolarHBondContact O-N 2.91Å; K381-S385 PolarHBondContact O-N 2.69Å; K381-S385 PolarHBondContact O-OG 3.12Å |
| 382 | Q | 78.1 | Confident | 74 | Confident | 120 Ų | 120 | 95.9 Ų | 95.9 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.7 | -37.9 | 179.8 | -167.4 | 174.4 | 7.3 | 0 | 0 | 112.5 | E378 L379 S385 M386 | E378-Q382 WeakPolarHBondContact O-CB 3.45Å; E378-Q382 PolarHBondContact O-N 2.71Å; L379-Q382 PolarHBondContact O-N 3.49Å; Q382-S385 WeakPolarHBondContact CA-OG 3.35Å; Q382-S385 PolarHBondContact O-OG 3.22Å; Q382-M386 WeakPolarHBondContact O-CG 3.5Å |
| 383 | V | 78.2 | Confident | 74.1 | Confident | 8 Ų | 8 | 97.7 Ų | 97.7 | 5% | 0.048 | 50% | 0.5 | C | S | . | . | H | α-helix | trans | -69.2 | -37.9 | 175.3 | 175 | 0 | 0 | 0 | 0 | 111.7 | L379 Y380 M386 L395 | L379-V383 VanDerWaalsContact O-CG2 3.31Å; L379-V383 WeakPolarHBondContact O-CG2 3.5Å; L379-V383 PolarHBondContact O-N 2.71Å; Y380-V383 PolarHBondContact O-N 2.94Å; V383-M386 HydrophobicContact CG2-CE 4.25Å; V383-M386 WeakPolarHBondContact O-CB 3.39Å; V383-M386 PolarHBondContact O-N 3.26Å; V383-L395 HydrophobicContact CG1-CB 4.39Å; V383-L395 HydrophobicContact CG1-CD2 4.22Å; V383-L395 HydrophobicContact CG2-CD2 3.51Å |
| 384 | N | 72.8 | Confident | 74.2 | Confident | 105 Ų | 105 | 100.3 Ų | 100.3 | 56% | 0.561 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -74.2 | -28.8 | 178.6 | -77.9 | -19.2 | 0 | 0 | 0 | 113.4 | Y380 K381 M386 K392 | Y380-N384 WeakPolarHBondContact O-CB 3.49Å; Y380-N384 PolarHBondContact O-N 3.43Å; K381-N384 PolarHBondContact O-N 2.91Å; N384-M386 PolarHBondContact O-N 3.08Å; N384-K392 PolarHBondContact O-NZ 3.4Å |
| 385 | S | 76.5 | Confident | 74.2 | Confident | 93 Ų | 93 | 100.3 Ų | 100.3 | 65% | 0.65 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76 | -4 | 173.1 | 60.4 | 0 | 0 | 0 | 0 | 114.2 | K381 Q382 | K381-S385 PolarHBondContact O-N 2.69Å; K381-S385 PolarHBondContact O-OG 3.12Å; Q382-S385 WeakPolarHBondContact CA-OG 3.35Å; Q382-S385 PolarHBondContact O-OG 3.22Å |
| 386 | M | 76.2 | Confident | 74.5 | Confident | 72 Ų | 72 | 100.3 Ų | 100.3 | 36% | 0.355 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -75.6 | 140.8 | 174.6 | -64.1 | -178.8 | -159.7 | 0 | 0 | 111.3 | Q382 V383 N384 K392 | Q382-M386 WeakPolarHBondContact O-CG 3.5Å; V383-M386 HydrophobicContact CG2-CE 4.25Å; V383-M386 WeakPolarHBondContact O-CB 3.39Å; V383-M386 PolarHBondContact O-N 3.26Å; N384-M386 PolarHBondContact O-N 3.08Å; M386-K392 HydrophobicContact CB-CD 4.37Å; M386-K392 WeakPolarHBondContact O-CD 3.35Å; M386-K392 WeakPolarHBondContact O-CE 3.16Å; M386-K392 PolarHBondContact O-NZ 3.01Å |
| 387 | P | 73.4 | Confident | 74.4 | Confident | 109 Ų | 109 | 103.9 Ų | 103.9 | 71% | 0.708 | 51% | 0.507 | S | S | * | . | trans | -62.5 | 149.8 | 171.7 | 23.1 | -30.2 | 0 | 0 | 0 | 111.5 | S389 | P387-S389 PolarHBondContact O-N 3.4Š| ||
| 388 | E | 65.1 | Low | 73.9 | Confident | 129 Ų | 129 | 105.6 Ų | 105.6 | 60% | 0.603 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -58.6 | 107.5 | -177.7 | -78.8 | -57.4 | 126 | 0 | 0 | 111.2 | K392 | E388-K392 VanDerWaalsContact OE1-CD 3.31Å; E388-K392 WeakPolarHBondContact OE1-CD 3.12Å; E388-K392 VanDerWaalsContact OE1-CE 3.24Å; E388-K392 WeakPolarHBondContact OE1-CE 3.27Å; E388-K392 IonicContact OE1-NZ 3.43Å; E388-K392 PolarHBondContact OE1-NZ 3.29Å |
| 389 | S | 73.7 | Confident | 73.1 | Confident | 50 Ų | 50 | 102.8 Ų | 102.8 | 35% | 0.35 | 50% | 0.499 | S | S | . | . | trans | -141.9 | 160.8 | -179.1 | 71.8 | 0 | 0 | 0 | 0 | 111.1 | P387 K391 K392 K393 | P387-S389 PolarHBondContact O-N 3.4Å; S389-K391 PolarHBondContact O-N 2.85Å; S389-K391 VanDerWaalsContact O-N 3.08Å; S389-K392 WeakPolarHBondContact O-CB 3.24Å; S389-K392 PolarHBondContact O-N 3.34Å; S389-K392 PolarHBondContact OG-N 2.95Å; S389-K393 PolarHBondContact O-N 3.42Å; S389-K393 VanDerWaalsContact O-N 3.16Å | ||
| 390 | A | 68.3 | Low | 72.2 | Confident | 82 Ų | 82 | 106 Ų | 106 | 68% | 0.678 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.5 | -24.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K394 | A390-K394 PolarHBondContact O-N 3.06Å |
| 391 | K | 69.9 | Low | 71.4 | Confident | 169 Ų | 169 | 109.3 Ų | 109.3 | 74% | 0.735 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -71.3 | -44.9 | 174.6 | -68.4 | -177.3 | 178.9 | 179.6 | 0 | 111.8 | S389 K393 K394 L395 | S389-K391 PolarHBondContact O-N 2.85Å; S389-K391 VanDerWaalsContact O-N 3.08Å; K391-K393 PolarHBondContact O-N 3.45Å; K391-K394 PolarHBondContact O-N 3.01Å; K391-L395 PolarHBondContact O-N 3.42Å |
| 392 | K | 79.1 | Confident | 69.5 | Low | 21 Ų | 21 | 109.1 Ų | 109.1 | 9% | 0.091 | 53% | 0.53 | C | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 174.9 | -172.9 | -179.6 | -177.4 | -178.3 | 0 | 111.4 | N384 M386 E388 S389 K394 L395 I396 | N384-K392 PolarHBondContact O-NZ 3.4Å; M386-K392 HydrophobicContact CB-CD 4.37Å; M386-K392 WeakPolarHBondContact O-CD 3.35Å; M386-K392 WeakPolarHBondContact O-CE 3.16Å; M386-K392 PolarHBondContact O-NZ 3.01Å; E388-K392 VanDerWaalsContact OE1-CD 3.31Å; E388-K392 WeakPolarHBondContact OE1-CD 3.12Å; E388-K392 VanDerWaalsContact OE1-CE 3.24Å; E388-K392 WeakPolarHBondContact OE1-CE 3.27Å; E388-K392 IonicContact OE1-NZ 3.43Å; E388-K392 PolarHBondContact OE1-NZ 3.29Å; S389-K392 WeakPolarHBondContact O-CB 3.24Å; S389-K392 PolarHBondContact O-N 3.34Å; S389-K392 PolarHBondContact OG-N 2.95Å; K392-K394 VanDerWaalsContact C-N 3.31Å; K392-K394 PolarHBondContact O-N 3.27Å; K392-L395 PolarHBondContact O-N 3.3Å; K392-I396 HydrophobicContact CG-CD1 3.92Å; K392-I396 WeakPolarHBondContact O-CG1 3.34Å; K392-I396 PolarHBondContact O-N 3.39Å |
| 393 | K | 75.2 | Confident | 67.6 | Low | 119 Ų | 119 | 109.1 Ų | 109.1 | 52% | 0.517 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.7 | -32.9 | 177.5 | -71 | -177.8 | 178.2 | 177.3 | 0 | 113.6 | S389 K391 R397 | S389-K393 PolarHBondContact O-N 3.42Å; S389-K393 VanDerWaalsContact O-N 3.16Å; K391-K393 PolarHBondContact O-N 3.45Å; K393-R397 WeakPolarHBondContact O-CG 3.36Å; K393-R397 PolarHBondContact O-N 3.38Å |
| 394 | K | 74.4 | Confident | 65.4 | Low | 155 Ų | 155 | 116.2 Ų | 116.2 | 67% | 0.674 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -72.4 | -37 | 174.5 | -90.1 | -175.8 | 176.2 | -179.9 | 0 | 112.7 | A390 K391 K392 R398 | A390-K394 PolarHBondContact O-N 3.06Å; K391-K394 PolarHBondContact O-N 3.01Å; K392-K394 VanDerWaalsContact C-N 3.31Å; K392-K394 PolarHBondContact O-N 3.27Å; K394-R398 PolarHBondContact O-N 2.8Å |
| 395 | L | 73.4 | Confident | 63.4 | Low | 68 Ų | 68 | 116.1 Ų | 116.1 | 36% | 0.356 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.6 | -47.3 | 176.4 | -111.3 | 85 | 0 | 0 | 0 | 111.2 | V383 K391 K392 R397 R398 F399 | V383-L395 HydrophobicContact CG1-CB 4.39Å; V383-L395 HydrophobicContact CG1-CD2 4.22Å; V383-L395 HydrophobicContact CG2-CD2 3.51Å; K391-L395 PolarHBondContact O-N 3.42Å; K392-L395 PolarHBondContact O-N 3.3Å; L395-R397 VanDerWaalsContact C-N 3.31Å; L395-R397 PolarHBondContact O-N 2.9Å; L395-R398 WeakPolarHBondContact O-CB 3.32Å; L395-R398 PolarHBondContact O-N 3.23Å; L395-F399 HydrophobicContact CD2-CE2 4.36Å; L395-F399 VanDerWaalsContact O-CD2 3.22Å; L395-F399 WeakPolarHBondContact O-CD2 3.2Å; L395-F399 PolarHBondContact O-N 2.9Å |
| 396 | I | 74.5 | Confident | 61.1 | Low | 55 Ų | 55 | 119.3 Ų | 119.3 | 28% | 0.282 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -57.1 | -45.1 | 179.2 | -66.8 | 167.6 | 0 | 0 | 0 | 111 | K392 R398 F399 E400 | K392-I396 HydrophobicContact CG-CD1 3.92Å; K392-I396 WeakPolarHBondContact O-CG1 3.34Å; K392-I396 PolarHBondContact O-N 3.39Å; I396-R398 PolarHBondContact O-N 2.85Å; I396-F399 PolarHBondContact O-N 3.49Å; I396-F399 VanDerWaalsContact O-N 3.09Å; I396-E400 PolarHBondContact O-N 3.25Å |
| 397 | R | 69.7 | Low | 58.9 | Low | 171 Ų | 171 | 121 Ų | 121 | 65% | 0.645 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.7 | -20.3 | 176.6 | -76 | 179.8 | -178.5 | 167.2 | 0.5 | 115 | K393 L395 | K393-R397 WeakPolarHBondContact O-CG 3.36Å; K393-R397 PolarHBondContact O-N 3.38Å; L395-R397 VanDerWaalsContact C-N 3.31Å; L395-R397 PolarHBondContact O-N 2.9Å |
| 398 | R | 65.3 | Low | 56.8 | Low | 201 Ų | 201 | 121 Ų | 121 | 76% | 0.758 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -81.1 | -33.9 | 173.9 | -79.1 | -175.3 | 173 | -173.5 | -3.1 | 111.2 | K394 L395 I396 K401 | K394-R398 PolarHBondContact O-N 2.8Å; L395-R398 WeakPolarHBondContact O-CB 3.32Å; L395-R398 PolarHBondContact O-N 3.23Å; I396-R398 PolarHBondContact O-N 2.85Å; R398-K401 PolarHBondContact O-N 3.28Å |
| 399 | F | 63.1 | Low | 55 | Low | 74 Ų | 74 | 119.2 Ų | 119.2 | 33% | 0.325 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -69.3 | -39.1 | 173 | -73.7 | -71.5 | 0 | 0 | 0 | 112.1 | L379 Y380 L395 I396 K401 | L379-F399 HydrophobicContact CD2-CE1 4.22Å; L379-F399 HydrophobicContact CD2-CZ 3.72Å; Y380-F399 HydrophobicContact CE1-CD1 4.33Å; Y380-F399 HydrophobicContact CE1-CG 4.34Å; Y380-F399 AromaticContact CZ-CD1 3.88Å; Y380-F399 WeakPolarHBondContact OH-CD1 3.35Å; L395-F399 HydrophobicContact CD2-CE2 4.36Å; L395-F399 VanDerWaalsContact O-CD2 3.22Å; L395-F399 WeakPolarHBondContact O-CD2 3.2Å; L395-F399 PolarHBondContact O-N 2.9Å; I396-F399 PolarHBondContact O-N 3.49Å; I396-F399 VanDerWaalsContact O-N 3.09Å; F399-K401 PolarHBondContact O-N 2.86Å |
| 400 | E | 58.4 | Low | 52.8 | Low | 146 Ų | 146 | 125.3 Ų | 125.3 | 68% | 0.682 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -9.6 | 177.6 | -71.5 | 174.9 | 162.4 | 0 | 0 | 114.4 | I396 | I396-E400 PolarHBondContact O-N 3.25Š|
| 401 | K | 55.6 | Low | 50.7 | Low | 184 Ų | 184 | 126.7 Ų | 126.7 | 80% | 0.8 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 0.6 | -176.6 | -100.6 | -172.9 | 175.4 | -168.5 | 0 | 114.7 | R398 F399 | R398-K401 PolarHBondContact O-N 3.28Å; F399-K401 PolarHBondContact O-N 2.86Å |
| 402 | Q | 38 | Very low | 48.7 | Very low | 160 Ų | 160 | 130.2 Ų | 130.2 | 75% | 0.748 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -85.7 | 127.4 | 167.8 | -69.9 | -136.2 | -21.4 | 0 | 0 | 109.7 | ||
| 403 | P | 38.7 | Very low | 46.2 | Very low | 120 Ų | 120 | 135.3 Ų | 135.3 | 78% | 0.779 | 69% | 0.689 | S | S | * | * | trans | -89.2 | 116.2 | -179.4 | 33 | -26.6 | 0 | 0 | 0 | 109.6 | ||||
| 404 | D | 31.7 | Very low | 44.5 | Very low | 158 Ų | 158 | 134.5 Ų | 134.5 | 85% | 0.845 | 70% | 0.696 | S | S | * | * | trans | -115.1 | 123.3 | 157 | -82.2 | -33.6 | 0 | 0 | 0 | 109.9 | ||||
| 405 | S | 31.7 | Very low | 42.3 | Very low | 102 Ų | 102 | 136.1 Ų | 136.1 | 71% | 0.713 | 70% | 0.703 | S | S | * | * | trans | -66.5 | 115.6 | 165.4 | 49.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 406 | N | 28.7 | Very low | 40.1 | Very low | 160 Ų | 160 | 139.5 Ų | 139.5 | 86% | 0.856 | 72% | 0.72 | S | S | * | * | 164 | 145.8 | 119.1 | -84.9 | -20.1 | 0 | 0 | 0 | 112.2 | |||||
| 407 | S | 29.5 | Very low | 38 | Very low | 109 Ų | 109 | 145.9 Ų | 145.9 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | -77.1 | 152.3 | -161.7 | 54.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 408 | S | 28 | Very low | 35.9 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 76% | 0.762 | 76% | 0.759 | S | S | * | * | 178.8 | 120.5 | 113.7 | 50.8 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 409 | A | 27.7 | Very low | 34.4 | Very low | 91 Ų | 91 | 148.1 Ų | 148.1 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | 67.2 | 116 | 106.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 410 | E | 27.3 | Very low | 32.6 | Very low | 177 Ų | 177 | 156.2 Ų | 156.2 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | -177.5 | 148.4 | 59.1 | -117.4 | 174.9 | -175.7 | 0 | 0 | 111.6 | |||||
| 411 | T | 25.9 | Very low | 31.2 | Very low | 112 Ų | 112 | 159.2 Ų | 159.2 | 69% | 0.687 | 80% | 0.795 | S | S | * | * | trans | 63.6 | 104.7 | 138.9 | -35.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 412 | R | 27.6 | Very low | 30 | Very low | 242 Ų | 242 | 155 Ų | 155 | 91% | 0.913 | 79% | 0.789 | S | S | * | * | -179.5 | 115.4 | 111 | -97.6 | 176.9 | 167.8 | 165.5 | -3.2 | 112.9 | |||||
| 413 | T | 26.4 | Very low | 29.6 | Very low | 129 Ų | 129 | 158.9 Ų | 158.9 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | trans | -78.7 | -176.4 | 164.2 | 44.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 414 | P | 39.7 | Very low | 29.1 | Very low | 102 Ų | 102 | 158.1 Ų | 158.1 | 66% | 0.662 | 79% | 0.794 | S | S | * | * | cis | -129.1 | 174.3 | -34.2 | 27.7 | -8.3 | 0 | 0 | 0 | 111.1 | ||||
| 415 | F | 27 | Very low | 29.1 | Very low | 188 Ų | 188 | 155.2 Ų | 155.2 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -169.2 | 111 | 137.3 | -110.9 | -84.8 | 0 | 0 | 0 | 112.2 | ||||
| 416 | I | 27.7 | Very low | 28.8 | Very low | 139 Ų | 139 | 154 Ų | 154 | 71% | 0.713 | 80% | 0.796 | S | S | * | * | trans | 62.4 | 119.6 | 142.1 | -61.6 | -176.8 | 0 | 0 | 0 | 121.8 | ||||
| 417 | K | 30.1 | Very low | 28.9 | Very low | 189 Ų | 189 | 149.8 Ų | 149.8 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -50.9 | 150.2 | 162.7 | -62.9 | 171.2 | 175 | 175.6 | 0 | 113.6 | ||||
| 418 | R | 26.5 | Very low | 29 | Very low | 244 Ų | 244 | 153 Ų | 153 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | -165.6 | 118.6 | 119.7 | -102.2 | 162.6 | -164.1 | -169.1 | 5.8 | 112 | |||||
| 419 | H | 33.4 | Very low | 29.3 | Very low | 176 Ų | 176 | 153.8 Ų | 153.8 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | trans | -69.1 | 141.2 | 166.2 | -131.6 | -77.7 | 0 | 0 | 0 | 109.5 | ||||
| 420 | W | 26.1 | Very low | 29.6 | Very low | 243 Ų | 243 | 156.9 Ų | 156.9 | 92% | 0.92 | 79% | 0.794 | S | S | * | * | trans | -140.4 | 149 | 152.7 | -111.3 | 88 | 0 | 0 | 0 | 111.7 | ||||
| 421 | R | 26.9 | Very low | 29.7 | Very low | 209 Ų | 209 | 157.9 Ų | 157.9 | 79% | 0.789 | 79% | 0.79 | S | S | * | * | trans | -97.3 | 139.7 | -155.6 | -107.8 | -178.8 | -161.9 | -136.5 | 2.1 | 112.7 | ||||
| 422 | S | 30.6 | Very low | 29.9 | Very low | 95 Ų | 95 | 162.7 Ų | 162.7 | 66% | 0.664 | 80% | 0.801 | S | S | * | * | 61.8 | 151.2 | 128.7 | 69.1 | 0 | 0 | 0 | 0 | 124.2 | |||||
| 423 | R | 30.4 | Very low | 30.1 | Very low | 242 Ų | 242 | 155.1 Ų | 155.1 | 91% | 0.913 | 79% | 0.791 | S | S | * | * | trans | 87.5 | 151.7 | 157.5 | -63 | -175.1 | 167 | -162.7 | -5.2 | 115.9 | ||||
| 424 | S | 28 | Very low | 30.2 | Very low | 104 Ų | 104 | 154.4 Ų | 154.4 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | cis | 165.9 | 141.7 | -21.5 | 166.3 | 0 | 0 | 0 | 0 | 104.6 | ||||
| 425 | A | 31.2 | Very low | 29.7 | Very low | 98 Ų | 98 | 156.6 Ų | 156.6 | 81% | 0.81 | 80% | 0.802 | S | S | * | * | trans | 61.8 | 126.9 | 155 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 426 | G | 26.8 | Very low | 29.9 | Very low | 77 Ų | 77 | 156.2 Ų | 156.2 | 79% | 0.794 | 80% | 0.803 | S | S | * | * | 106.8 | 105.6 | 116.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 427 | G | 29.3 | Very low | 30 | Very low | 71 Ų | 71 | 159.6 Ų | 159.6 | 73% | 0.732 | 81% | 0.813 | S | S | * | * | trans | 69.4 | 137.4 | 137.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 428 | I | 32.2 | Very low | 30.2 | Very low | 176 Ų | 176 | 159 Ų | 159 | 90% | 0.903 | 81% | 0.813 | S | S | * | * | 171.3 | 128.9 | 116.4 | -85.9 | 158 | 0 | 0 | 0 | 110.3 | |||||
| 429 | V | 35 | Very low | 30.3 | Very low | 126 Ų | 126 | 155.3 Ų | 155.3 | 76% | 0.764 | 81% | 0.811 | S | S | * | * | trans | -80.4 | 146 | 166.2 | 169.9 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 430 | K | 33.3 | Very low | 30.2 | Very low | 155 Ų | 155 | 150.5 Ų | 150.5 | 67% | 0.674 | 81% | 0.809 | S | S | * | * | 146.1 | 136.2 | 118 | -144.8 | 164 | 178.2 | 178.5 | 0 | 114.8 | |||||
| 431 | R | 30.3 | Very low | 30.5 | Very low | 199 Ų | 199 | 145.1 Ų | 145.1 | 75% | 0.751 | 80% | 0.803 | S | S | * | * | trans | 75.2 | 122.6 | 144.6 | -102.2 | 178.1 | -68.4 | -176.7 | -1.4 | 119.8 | ||||
| 432 | K | 30 | Very low | 30.8 | Very low | 213 Ų | 213 | 143.2 Ų | 143.2 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | -152 | 133.6 | 112.8 | -108.6 | 175.7 | -179.2 | -178.3 | 0 | 110.4 | |||||
| 433 | A | 30.6 | Very low | 31 | Very low | 83 Ų | 83 | 147.2 Ų | 147.2 | 69% | 0.686 | 82% | 0.816 | S | S | * | * | trans | -114.5 | 156.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 434 | S | 28.2 | Very low | 31.1 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 81% | 0.809 | S | S | * | * | trans | 79.1 | 112.9 | 151.5 | -48.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 435 | T | 30 | Very low | 31.6 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | -143.2 | 126.1 | 129 | 14.9 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 436 | E | 31 | Very low | 32.4 | Very low | 181 Ų | 181 | 144.2 Ų | 144.2 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | trans | -64 | 155.7 | 176 | -67 | 155 | 132.3 | 0 | 0 | 112.7 | ||||
| 437 | K | 30.6 | Very low | 33.5 | Very low | 210 Ų | 210 | 145.7 Ų | 145.7 | 91% | 0.913 | 81% | 0.806 | S | S | * | * | -163.1 | 117.7 | 122.2 | -106 | 176.3 | -176.2 | -174.9 | 0 | 110.6 | |||||
| 438 | E | 32.9 | Very low | 34.1 | Very low | 175 Ų | 175 | 154 Ų | 154 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -67.7 | 144.8 | 165.8 | -69.6 | 175.1 | 128.8 | 0 | 0 | 111.7 | ||||
| 439 | N | 29.6 | Very low | 34.9 | Very low | 167 Ų | 167 | 154.9 Ų | 154.9 | 89% | 0.893 | 84% | 0.837 | S | S | * | * | 168.3 | 127.2 | 120.7 | -91.6 | -19.8 | 0 | 0 | 0 | 109.6 | |||||
| 440 | G | 30.6 | Very low | 34.9 | Very low | 75 Ų | 75 | 156.3 Ų | 156.3 | 77% | 0.773 | 84% | 0.841 | S | S | * | * | trans | 167 | 63.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 441 | T | 32.3 | Very low | 35 | Very low | 130 Ų | 130 | 156.4 Ų | 156.4 | 80% | 0.798 | 85% | 0.849 | S | S | * | * | trans | -19 | 125.7 | 156.5 | -44 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 442 | L | 34.2 | Very low | 35.3 | Very low | 170 Ų | 170 | 154 Ų | 154 | 89% | 0.89 | 86% | 0.855 | S | S | * | * | trans | -162.3 | 133.9 | 138.8 | -108.9 | 141.3 | 0 | 0 | 0 | 112.5 | ||||
| 443 | Q | 34 | Very low | 35.6 | Very low | 178 Ų | 178 | 150.5 Ų | 150.5 | 83% | 0.832 | 85% | 0.851 | S | S | * | * | trans | -64.5 | 140.6 | -166.3 | -73.1 | 152.5 | -33.7 | 0 | 0 | 114.5 | ||||
| 444 | S | 33 | Very low | 35.9 | Very low | 108 Ų | 108 | 154.8 Ų | 154.8 | 76% | 0.755 | 86% | 0.861 | S | S | * | * | trans | -91.1 | 137.5 | 155.1 | 56.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 445 | L | 38.4 | Very low | 36.4 | Very low | 161 Ų | 161 | 157.5 Ų | 157.5 | 84% | 0.843 | 87% | 0.866 | S | S | * | * | trans | 175.7 | 156.2 | 142.4 | -93.8 | 165.1 | 0 | 0 | 0 | 107.9 | ||||
| 446 | P | 48.7 | Very low | 36.9 | Very low | 112 Ų | 112 | 158.2 Ų | 158.2 | 73% | 0.727 | 86% | 0.863 | S | S | * | * | cis | -130.6 | 178.9 | 8.3 | 37.8 | -19.8 | 0 | 0 | 0 | 114.8 | ||||
| 447 | P | 49.6 | Very low | 37.3 | Very low | 108 Ų | 108 | 156.5 Ų | 156.5 | 70% | 0.701 | 86% | 0.864 | S | S | * | * | trans | -125 | 147.3 | 134.1 | 35.8 | -26.6 | 0 | 0 | 0 | 112.8 | ||||
| 448 | R | 41.2 | Very low | 37.9 | Very low | 245 Ų | 245 | 152 Ų | 152 | 93% | 0.925 | 86% | 0.86 | S | S | * | * | trans | 68.5 | 112.6 | 156.7 | -67.8 | -177.9 | 179.7 | -171.4 | -0.5 | 119.4 | ||||
| 449 | S | 50 | Low | 38.3 | Very low | 195 Ų | 195 | 149.9 Ų | 149.9 | 100% | 1.364 | 86% | 0.864 | S | S | * | * | -146.4 | 0 | 112.6 | 53.6 | 0 | 0 | 0 | 0 | 108.7 |
Retrieved 449 of 449 residues in 91.5 ms
(Link to these results)